Publikationer inom strukturkemi

Elbouazzaoui, Kenza; Srout, Mohammed; Saadoune, Ismael; Bih, Lahcen et al.

NASICON-type Li_0.5M_0.5Ti_1.5Fe_0.5(PO₄)₃ (M = Mn, Co, Mg) phosphates as electrode materials for lithium-ion batteries

Ingår i Electrochimica Acta, 2021.

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Pereira de Carvalho, Rodrigo; Marchiori, Cleber F. N.; Brandell, Daniel; Araujo, Moyses

Artificial intelligence driven in-silico discovery of novel organic lithium-ion battery cathodes

Ingår i Energy Storage Materials, s. 313-325, 2022.

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Hu, Ya; Chen, Libo; Chai, Zhigang; Zhu, Jiefang et al.

Autogenic electrolysis of water powered by solar and mechanical energy

Ingår i Nano Energy, 2022.

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Benitez, Almudena; Amaro-Gahete, Juan; Chien, Yu-Chuan; Caballero, Alvaro et al.

Recent advances in lithium-sulfur batteries using biomass-derived carbons as sulfur host

Ingår i Renewable & sustainable energy reviews, 2022.

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Colozza, Noemi; Tazzioli, Sara; Sassolini, Alessandro; Agosta, Lorenzo et al.

Vertical-Flow Paper Sensor for On-Site and Prompt Evaluation of Chloride Contamination in Concrete Structures

Ingår i Analytical Chemistry, s. 14369-14374, 2021.

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Sun, Wenhao; Zhu, Jie-Fang; Zheng, Yuanhui

Graphitic carbon nitride heterojunction photocatalysts for solar hydrogen production

Ingår i International journal of hydrogen energy, s. 37242-37267, 2021.

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Mathew, Alma; Lacey, Matthew J.; Brandell, Daniel

Investigating oxidative stability of lithium-ion battery electrolytes using synthetic charge-discharge profile voltammetry

Ingår i JOURNAL OF POWER SOURCES ADVANCES, 2021.

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Samarasingha, Pushpaka B.; Lee, Ming-Tao; Valvo, Mario

Reactive surface coating of metallic lithium and its role in rechargeable lithium metal batteries

Ingår i Electrochimica Acta, 2021.

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Li, Changjiu; Yang, Wenhao; He, Wen; Zhang, Xudong et al.

Multifunctional surfactants for synthesizing high-performance energy materials

Ingår i Energy Storage Materials, s. 1-19, 2021.

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Zhang, Leiting; Tsolakidou, Chrysi; Mariyappan, Sathiya; Tarascon, Jean-Marie et al.

Unraveling gas evolution in sodium batteries by online electrochemical mass spectrometry

Ingår i Energy Storage Materials, s. 12-21, 2021.

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Gudla, Harish; Shao, Yunqi; Phunnarungsi, Supho; Brandell, Daniel et al.

Importance of the Ion-Pair Lifetime in Polymer Electrolytes

Ingår i Journal of Physical Chemistry Letters, s. 8460-8464, 2021.

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Otieno, Austine O.; Home, Patrick G.; Raude, James M.; Murunga, Sylvia I. et al.

Pineapple peel biochar and lateritic soil as adsorbents for recovery of ammonium nitrogen from human urine

Ingår i Journal of Environmental Management, 2021.

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Gustafsson, Olof; Schökel, Alexander; Brant, William R.

Design and Operation of an Operando Synchrotron Diffraction Cell Enabling Fast Cycling of Battery Materials

Ingår i Batteries & Supercaps, s. 1599-1604, 2021.

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Hait, Soumyarup; Husain, Sajid; Barwal, Vineet; Gupta, Nanhe Kumar et al.

Comparison of high temperature growth versus post-deposition in situ annealing in attaining very low Gilbert damping in sputtered Co2FeAl Heusler alloy films

Ingår i Journal of Magnetism and Magnetic Materials, 2021.

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Chai, Zhigang

Light-Driven Alcohol Splitting by Heterogeneous Photocatalysis: Recent Advances, Mechanism and Prospects

Ingår i Chemistry - An Asian Journal, s. 460-473, 2021.

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Shao, Yunqi; Knijff, Lisanne; Dietrich, Florian M.; Hermansson, Kersti et al.

Modelling Bulk Electrolytes and Electrolyte Interfaces with Atomistic Machine Learning

Ingår i BATTERIES & SUPERCAPS, s. 585-595, 2021.

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Jankowski, Piotr; Schwarz, Rainer; Randon-Vitanova, Anna; Younesi, Reza et al.

Prospects for Improved Magnesocene-Based Magnesium Battery Electrolytes

Ingår i BATTERIES & SUPERCAPS, s. 1335-1343, 2021.

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Meier de Andrade, Ageo; Kullgren, Jolla; Hermansson, Kersti; Broqvist, Peter

Stabilization of enol lignin models through surface alloying

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Vegge, Tejs; Tarascon, Jean-Marie; Edström, Kristina

Toward Better and Smarter Batteries by Combining AI with Multisensory and Self-Healing Approaches

Ingår i Advanced Energy Materials, 2021.

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Meier de Andrade, Ageo

Transition metal and alloy catalysts in the light of computational materials modelling

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Wang, Huan; Emanuelsson, Rikard; Liu, Haidong; Mamedov, Fikret et al.

A conducting additive-free high potential quinone-based conducting redox polymer as lithium ion battery cathode

Ingår i Electrochimica Acta, 2021.

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Meier de Andrade, Ageo; Kullgren, Jolla; Broqvist, Peter

Controlling the metal work function through atomic-scale surface engineering for improved catalytic performance

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Meier de Andrade, Ageo; Kullgren, Jolla; Broqvist, Peter

Improving the transferability of density functional predictions through correlation analysis: structural and energetic properties of NiX alloys (X=C, Si, Ge and Sn)

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Gond, Ritambhara; Asfaw, Habtom Desta; Hosseinaei, Omid; Edström, Kristina et al.

A Lignosulfonate Binder for Hard Carbon Anodes in Sodium-Ion Batteries: A Comparative Study

Ingår i ACS Sustainable Chemistry & Engineering, s. 12708-12717, 2021.

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Gupta, Verena Kristin; Aradi, Balint; Kweon, Kyoung; Keilbart, Nathan et al.

Using DFTB to Model Photocatalytic Anatase-Rutile TiO₂ Nanocrystalline Interfaces and Their Band Alignment

Ingår i Journal of Chemical Theory and Computation, s. 5239-5247, 2021.

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Tapia-Ruiz, Nuria; Armstrong, A. Robert; Alptekin, Hande; Amores, Marco A. et al.

2021 roadmap for sodium-ion batteries

Ingår i Journal of Physics, 2021.

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Chien, Yu-Chuan; Lacey, Matthew; Steinke, Nina-Juliane; Brandell, Daniel et al.

Correlations between Precipitation Reactions and Electrochemical Performance of Lithium–Sulfur Batteries

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Ahlberg Tidblad, Annika; Edström, Kristina; Hernández, Guiomar; de Meatza, Iratxe et al.

Future Material Developments for Electric Vehicle Battery Cells Answering Growing Demands from an End-User Perspective

Ingår i Energies, 2021.

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Chien, Yu-Chuan; Lacey, Matthew; Brandell, Daniel; Steinke, Nina-Juliane et al.

Mechanistic Insights on the Mesoscale in the Positive Electrode of Lithium–Sulfur Batteries

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Chien, Yu-Chuan

Operando Characterisation of Lithium–Sulfur Batteries

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Li, He; Lampkin, John; Chien, Yu-Chuan; Furness, Liam et al.

Operando Characterization of Active Surface Area and Passivation Effects on Sulfur-Carbon Composites for Lithium-Sulfur Batteries

Ingår i Electrochimica Acta

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Chien, Yu-Chuan; Brandell, Daniel; Lacey, Matthew

Towards reliable three-electrode cells for lithium–sulfur batteries

Ingår i Chemical Communications

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Chien, Yu-Chuan; Menon, Ashok S.; Brant, William; Brandell, Daniel et al.

Understanding the Impact of Precipitation Kinetics on the Electrochemical Performance of Lithium–Sulfur Batteries by Operando X-ray Diffraction

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El-Zohry, Ahmed; Diez-Cabanes, Valentin; Pastore, Mariachiara; Ahmed, Taha et al.

Highly Emissive Biological Bilirubin Molecules: Shedding New Light on the Phototherapy Scheme

Ingår i Journal of Physical Chemistry B, s. 9213-9222, 2021.

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Colozza, Noemi; Tazzioli, Sara; Sassolini, Alessandro; Agosta, Lorenzo et al.

Multiparametric analysis by paper-assisted potentiometric sensors for diagnostic and monitoring of reinforced concrete structures

Ingår i Sensors and actuators. B, Chemical, 2021.

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Yin, Litao; Björneklett, Are; Söderlund, Elisabeth; Brandell, Daniel

Analyzing and mitigating battery ageing by self-heating through a coupled thermal-electrochemical model of cylindrical Li-ion cells

Ingår i Journal of Energy Storage, 2021.

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Eriksson, Therese

Cation Conduction and Coordination in Carbonyl-Containing Compounds: Li⁺ Transport in Alternative Polymer Electrolyte Host Materials

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Eriksson, Therese; Gudla, Harish; Manabe, Yumehiro; Yoneda, Tomoki et al.

Comparative Study of Carbonyl-Containing Solid Polymer Electrolyte Host Materials: Conduction and Coordination in Polyketone, Polyester and Polycarbonate Systems

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Eriksson, Therese; Amber, Mace; Mindemark, Jonas; Brandell, Daniel

The Role of Coordination Strength in Solid Polymer Electrolytes:Compositional Dependence of Transference Numbers in thePoly(ε-Caprolactone)–Poly(Trimethylene Carbonate) System

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Källquist, Ida; Ericson, Tove; Erbing, Axel; Odelius, Michael et al.

Operando ambient pressure photoelectron spectroscopy of solid/liquid interfaces in Li-ion batteries

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Zollo, Giuseppe; Hermansson, Kersti; Agosta, Lorenzo

Thermodynamics of dissociated water motifs at oxide-bulk water interfaces: The TiO2 anatase (001) case

Ingår i Applied Surface Science, 2021.

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Källquist, Ida; Lindgren, Fredrik; Lee, Ming-Tao; Shavorskiy, Andrey et al.

Probing Electrochemical Potential Differences over the Solid/Liquid Interface in Li-Ion Battery Model Systems.

Ingår i ACS Applied Materials and Interfaces, s. 32989-32996, 2021.

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Lee, Tian Khoon; Andersson, Rassmus; Akmaliah Dzulkurnain, Nurul; Hernández, Guiomar et al.

Polyester-ZrO2 Nanocomposite Electrolytes with High Li Transference Numbers for Ambient Temperature All-Solid-State Lithium Batteries

Ingår i BATTERIES & SUPERCAPS, s. 653-662, 2021.

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Gebresenbut, Girma Hailu; Gómez, Cesar Pay; Eriksson, Lars; Häussermann, Ulrich

Chemical speciation in Gd-Cd-M (M=Zn, Au) quasicrystal approximants

Ingår i Zeitschrift für Anorganische und Allgemeines Chemie, s. 86-90, 2021.

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Ma, Le Anh

Anti-Ageing Strategies: How to avoid failure in sodium-ion batteries

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Ma, Le Anh; Buckel, Alexander; Nyholm, Leif; Younesi, Reza

Capacity losses due to solid electrolyte interphase formation and sodium diffusion in sodium-ion batteries

2021.

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Ma, Le Anh; Palm, Rasmus; Nocerino, Elisabetta; Kenji, Ola et al.

Na-mobility in P2-Na_0.5Mg_xNi_0.17-xMn_0.83O₂ (0 £ x £ 0.07)  from electrochemical and muon-spin relaxation studies

2021.

Till DiVA

Ma, Le Anh; Naylor, Andrew J.; Nyholm, Leif; Younesi, Reza

Strategies for Mitigating Dissolution of Solid Electrolyte Interphases in Sodium-Ion Batteries

Ingår i Angewandte Chemie International Edition, s. 4855-4863, 2021.

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Gebresenbut, Girma; Eklöf, Daniel; Gordeeva, Alisa; Shiino, Takayuki et al.

Peritectic Formation and Phase Stability of the Icosahedral Quasicystal i-GdCd and Its Ternary Variants with Zn, Mg, and Y

Ingår i Crystal Growth & Design, s. 3355-3363, 2021.

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Mogensen, Ronnie; Colbin, Simon; Younesi, Reza

An Attempt to Formulate Non-Carbonate Electrolytes for Sodium-Ion Batteries

Ingår i Batteries & Supercaps, s. 791-814, 2021.

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Blanco, Maria Valeria; Renman, Viktor; Zhu, Jiefang; Vullum-Bruer, Fride et al.

Optimizing carbon coating parameters for obtaining SiO2/C anodes with improved electrochemical performance

Ingår i Journal of Solid State Electrochemistry, s. 1339-1351, 2021.

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Wikner, Evelina; Björklund, Erik; Fridner, Johan; Brandell, Daniel et al.

How the utilised SOC window in commercial Li-ion pouch cells influence battery ageing

Ingår i JOURNAL OF POWER SOURCES ADVANCES, 2021.

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Jia, Mei; Zhang, Chao; Cheng, Jun

Origin of Asymmetric Electric Double Layers at Electrified Oxide/Electrolyte Interfaces

Ingår i Journal of Physical Chemistry Letters, s. 4616-4622, 2021.

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Flores, Eibar; Mozhzhukhina, Nataliia; Aschauer, Ulrich; Berg, Erik J.

Operando Monitoring the Insulator-Metal Transition of LiCoO₂

Ingår i ACS Applied Materials and Interfaces, s. 22540-22548, 2021.

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Kotronia, Antonia; van Ekeren, Wessel; Asfaw, Habtom Desta; Edström, Kristina

Binder Impact on Self-Discharge in Graphite Dual-Ion Batteries

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Kotronia, Antonia; Asfaw, Habtom Desta; Edström, Kristina

Conventional Additives in Unconventional Cell Chemistries: Pitfalls in Performance Evaluation of Dual-ion Batteries

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Kotronia, Antonia

Probing Critical Interfaces in Dual-Ion Batteries: The Road Towards Performant Graphite Cathodes

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Asfaw, Habtom Desta; Kotronia, Antonia

Taming Interfaces to Design a High-Performance Potassium-based MoS₂-Natural Graphite Dual-ion Battery

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Kotronia, Antonia; Edström, Kristina; Brandell, Daniel; Asfaw, Habtom Desta

Ternary Ionogel Electrolytes Enable Quasi-Solid-State Potassium Dual-Ion Intercalation Batteries

Ingår i Advanced Energy and Sustainability Research, 2021.

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Nkosi, Funeka P.; Valvo, Mario; Mindemark, Jonas; Dzulkurnain, Nurul A. et al.

Garnet-Poly(epsilon-caprolactone-co-trimethylene carbonate) Polymer-in-Ceramic Composite Electrolyte for All-Solid-State Lithium-Ion Batteries

Ingår i ACS Applied Energy Materials, s. 2531-2542, 2021.

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Mandal, Prithwiraj; Stokes, Killian; Hernández, Guiomar; Brandell, Daniel et al.

Influence of Binder Crystallinity on the Performance of Si Electrodes with Poly(vinyl alcohol) Binders

Ingår i ACS Applied Energy Materials, s. 3008-3016, 2021.

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Pereira de Carvalho, Rodrigo; Marchiori, Cleber F.N.; Mihali, Viorica-Alina; Renault, Steven et al.

Structure-property relationships in organic battery anode materials: exploring redox reactions in crystalline Na- and Li-benzene diacrylate using combined crystallography and density functional theory calculations

Ingår i MATERIALS ADVANCES, s. 1024-1034, 2021.

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Koroidov, Sergey; Winiwarter, Anna; Diaz-Morales, Oscar; Görlin, Mikaela et al.

Chemisorbed oxygen or surface oxides steer the selectivity in Pd electrocatalytic propene oxidation observed by operando Pd L-edge X-ray absorption spectroscopy

Ingår i Catalysis Science & Technology, s. 3347-3352, 2021.

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Moghaddam, Mahdi; Sepp, Silver; Wiberg, Cedrik; Bertei, Antonio et al.

Thermodynamics, Charge Transfer and Practical Considerations of Solid Boosters in Redox Flow Batteries

Ingår i Molecules, 2021.

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Tesfamhret, Yonas; Liu, Haidong; Chai, Zhigang; Berg, Erik et al.

On the Manganese Dissolution Process from LiMn2O4 Cathode Materials

Ingår i ChemElectroChem, s. 1516-1523, 2021.

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Lv, Fei; Liu, Kexin; Wang, Zhuyi; Zhu, Jie-Fang et al.

Ultraviolet-cured polyethylene oxide-based composite electrolyte enabling stable cycling of lithium battery at low temperature

Ingår i Journal of Colloid and Interface Science, s. 257-266, 2021.

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Dhillon, Shweta; Hernández, Guiomar; Wagner, Nils P.; Svensson, Ann Mari et al.

Modelling capacity fade in silicon-graphite composite electrodes for lithium-ion batteries

Ingår i Electrochimica Acta, 2021.

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Lagnelöv, Oscar; Dhillon, Shweta; Larsson, Gunnar; Nilsson, Daniel et al.

Cost analysis of autonomous battery electric field tractors in agriculture

Ingår i Biosystems Engineering, s. 358-376, 2021.

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Ojwang, Dickson O.; Svensson, Mikael; Njel, Christian; Mogensen, Ronnie et al.

Moisture-Driven Degradation Pathways in Prussian White Cathode Material for Sodium-Ion Batteries

Ingår i ACS Applied Materials and Interfaces, s. 10054-10063, 2021.

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Zhu, Suyun; Scardamaglia, Mattia; Kundsen, Jan; Sankari, Rami et al.

HIPPIE: a new platform for ambient-pressure X-ray photoelectron spectroscopy at the MAX IV Laboratory

Ingår i Journal of Synchrotron Radiation, s. 624-636, 2021.

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Menon, Ashok S.; Playford, Helen; Ulusoy, Seda; Ojwang, Dickson O. et al.

A Crystallographic Reinvestigation of Li_1.2Mn_0.6Ni_0.2O₂

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Popovic, Jelena; Brandell, Daniel; Ohno, Sanyeuki; Hatzell, Kelsey B. et al.

Polymer-based hybrid battery electrolytes: theoretical insights, recent advances and challenges

Ingår i Journal of Materials Chemistry A, s. 6050-6069, 2021.

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Menon, Ashok S.

Synthesis–Structure–Property Relationships in Li- and Mn-rich Layered Oxides

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Sångeland, Christofer; Sun, Bing; Brandell, Daniel; Berg, Erik J. et al.

Decomposition of Carbonate-Based Electrolytes: Differences and Peculiarities for Liquids vs. Polymers Observed Using Operando Gas Analysis

Ingår i Batteries & Supercaps, s. 785-790, 2021.

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Sångeland, Christofer; Hernández, Guiomar; Brandell, Daniel; Younesi, Reza et al.

Dissecting the solid polymer electrolyte–electrode interface in the vicinity of electrochemical stability limits

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Andersson, Edvin; Sångeland, Christofer; Johansson, Fredrik; Kühn, Danilo et al.

Early-Stage Decomposition of Solid Polymer Electrolytes in Li-Metal Batteries

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Sångeland, Christofer

Exploring the Frontiers of Polymer Electrolytes for Battery Applications: From Surface to Bulk

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Hernández, Guiomar; Sångeland, Christofer; Johansson, Isabell; Mathew, Alma et al.

Going beyond sweep voltammetry: Alternative approaches in search of the elusive electrochemical stability of polymer electrolytes

Ingår i Journal of the Electrochemical Society, 2021.

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Sångeland, Christofer; Tjessem, Trine; Mindemark, Jonas; Brandell, Daniel

Overcoming the Obstacle of Polymer–Polymer Resistances in Double Layer Solid Polymer Electrolytes

Ingår i Journal of Physical Chemistry Letters, s. 2809-2814, 2021.

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Mogensen, Ronnie; Buckel, Alexander; Colbin, Simon; Younesi, Reza

A Wide-Temperature-Range, Low-Cost, Fluorine-Free Battery Electrolyte Based On Sodium Bis(Oxalate)Borate

Ingår i Chemistry of Materials, s. 1130-1139, 2021.

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Agosta, Lorenzo; Dzugutov, Mikhail; Hermansson, Kersti

Supercooled liquid-like dynamics in water near a fully hydrated titania surface: Decoupling of rotational and translational diffusion

Ingår i Journal of Chemical Physics, 2021.

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S. Menon, Ashok; Khalil, Said; Edström, Kristina; Gómez, Cesar Pay et al.

Synthesis–Structure Relationships in Li- and Mn-rich Layered Oxides

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Hattori, Yocefu; Meng, Jie; Zheng, Kaibo; Meier de Andrade, Ageo et al.

Phonon-Assisted Hot Carrier Generation in Plasmonic Semiconductor Systems

Ingår i Nano Letters, s. 1083-1089, 2021.

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Menon, Ashok S.; Ulusoy, Seda; Ojwang, Dickson O.; Riekehr, Lars et al.

Synthetic Pathway Determines the Nonequilibrium Crystallography of Li- and Mn-Rich Layered Oxide Cathode Materials

Ingår i ACS Applied Energy Materials, s. 1924-1935, 2021.

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Meier de Andrade, Ageo; Srifa, Pemikar; Broqvist, Peter; Hermansson, Kersti

Lignin Intermediates on Palladium:: Insights into Keto-Enol Tautomerization from Theoretical Modelling

Ingår i ChemSusChem, 2020.

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Carvalho, Paulo H. B. Brant; Amber, Mace; Andersson, Ove; Tulk, Chris A. et al.

Pressure-induced amorphization of noble gas clathrate hydrates

Ingår i Physical Review B, 2021.

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Tesfamhret, Yonas; Carboni, Marco; Asfaw, Habtom Desta; Kullgren, Jolla et al.

Revealing capacity fading in Sb-based anodes using symmetric sodium-ion cells

Ingår i Journal of Physics, 2021.

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Hedman, Jonas; Nilebo, David; Larsson Langhammer, Elin; Björefors, Fredrik

Fibre Optic Sensor for Characterisation of Lithium-Ion Batteries

Ingår i ChemSusChem, s. 5731-5739, 2020.

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Xue, Xiaoyin; Zhang, Hao; Yuan, Shuai; Shi, Liyi et al.

PEDOT:PSS @Molecular Sieve as Dual-Functional Additive to Enhance Electrochemical Performance and Stability of Ni-Rich NMC Lithium-Ion Batteries

Ingår i Energy Technology, 2020.

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Etman, Ahmed S.; Carboni, Marco; Sun, Junliang; Younesi, Reza

Acetonitrile-Based Electrolytes for Rechargeable Zinc Batteries

Ingår i ENERGY TECHNOLOGY, 2020.

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Abdi, Zahra; Bagheri, Robabeh; Reza Mohammadi, Mohammad; Song, Zhenlun et al.

In Situ Synthesis of Manganese Oxide as an Oxygen-Evolving Catalyst: A New Strategy

Ingår i Chemistry - A European Journal, s. 1330-1336, 2021.

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Shiino, Takayuki; Gebresenbut, Girma Hailu; Denoel, Fernand; Mathieu, Roland et al.

Superconductivity at 1 K in Y-Au-Si quasicrystal approximants

Ingår i Physical Review B, 2021.

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Geng, Zeyang; Wang, Siyang; Lacey, Matthew J.; Brandell, Daniel et al.

Bridging physics-based and equivalent circuit models for lithium-ion batteries

Ingår i Electrochimica Acta, 2021.

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Zhang, Xilin; Xu, Chang; Zhang, Yiying; Cheng, Cheng et al.

Regulation of CO oxidation with Pd additives on Nb2CO2 MXene

Ingår i International journal of hydrogen energy, s. 8477-8485, 2021.

DOI Till DiVA

Papp, Joseph K.; Li, Ning; Kaufman, Lori A.; Naylor, Andrew J. et al.

A comparison of high voltage outgassing of LiCoO2, LiNiO2, and Li2MnO3 layered Li-ion cathode materials

Ingår i Electrochimica Acta, 2021.

DOI Till DiVA

Benatto, L.; Govatski, J. A.; de Moraes, C. A. M.; Gouvea, C. P. et al.

Understanding the effect of solvent additive in polymeric thin film: turning a bilayer into a bulk heterojunction-like photovoltaic device

Ingår i Journal of Physics D, 2020.

DOI Till DiVA

Joshi, Deep C.; Gebresenbut, Girma Hailu; Gómez, Cesar Pay; Mathieu, Roland

Memory and rejuvenation in a quasicrystal

Ingår i Europhysics letters, 2020.

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Lundström, Robin; Berg, Erik

Design and validation of an online partial and total pressure measurement system for Li-ion cells

Ingår i Journal of Power Sources, 2021.

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Kim, Eun Jeong; Ma, Le Anh; Pickup, David M.; Chadwick, Alan, V et al.

Vacancy-Enhanced Oxygen Redox Reversibility in P3-Type Magnesium-Doped Sodium Manganese Oxide Na0.67Mg0.2Mn0.8O2

Ingår i ACS Applied Energy Materials, s. 10423-10434, 2020.

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Kocmaruk, Bojana; Ammothum kandy, Akshay; Kullgren, Jolla; Broqvist, Peter

Accurate description of Ce 4f states in reduced ceria using SCC-DFTB+U simulations

Till DiVA

Ammothum Kandy, Akshay Krishna; Wadbro, Eddie; Aradi, Bálint; Broqvist, Peter et al.

Curvature Constrained Splines for DFTB Repulsive Potential Parametrization

Ingår i Journal of Chemical Theory and Computation, s. 1771-1781, 2021.

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Ammothum kandy, Akshay; Wadbro, Eddie; Broqvist, Peter; Kullgren, Jolla

Development of efficient linearly parametrized force fields for ionic materials

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Ammothum Kandy, Akshay Krishna

Linear models for multiscale materials simulations: Towards a seamless linking of electronic and atomistic models for complex metal oxides

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Esser, Birgit; Dolhem, Franck; Becuwe, Matthieu; Poizot, Philippe et al.

A perspective on organic electrode materials and technologies for next generation batteries

Ingår i Journal of Power Sources, 2021.

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Langhammer, David; Kullgren, Jolla; Österlund, Lars

Photoinduced Adsorption and Oxidation of SO₂ on Anatase TiO₂(101)

Ingår i Journal of the American Chemical Society, s. 21767-21774, 2020.

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Görlin, Mikaela; Halldin Stenlid, Joakim; Koroidov, Sergey; Wang, Hsin-Yi et al.

Key activity descriptors of nickel-iron oxygen evolution electrocatalysts in the presence of alkali metal cations

Ingår i Nature Communications, 2020.

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Kotronia, Antonia; Asfaw, Habtom Desta; Tai, Cheuk-Wai; Hahlin, Maria et al.

Nature of the Cathode–Electrolyte Interface in Highly Concentrated Electrolytes Used in Graphite Dual-Ion Batteries

Ingår i ACS Applied Materials and Interfaces, s. 3867-3880, 2021.

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Armand, Michel; Axmann, Peter; Bresser, Dominic; Copley, Mark et al.

Lithium-ion batteries: Current state of the art and anticipated developments

Ingår i Journal of Power Sources, 2020.

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Mozhzhukhina, Nataliia; Kullgren, Jolla; Baur, Christian; Gustafsson, Olof et al.

Short-range ordering in the Li-rich disordered rock salt cathode material Li₂VO₂F revealed by Raman spectroscopy

Ingår i Journal of Raman Spectroscopy, s. 2095-2101, 2020.

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Hattori, Yocefu; Meng, Jie; Zheng, Kaibo; Meier de Andrade, Ageo et al.

Phonon-assisted hot carrier generation in plasmonic semiconductor systems

Ingår i Nano letters (Print)

Till DiVA

Kitz, Paul G.; Lacey, Matthew; Novak, Petr; Berg, Erik

Operando investigation of the solid electrolyte interphase mechanical and transport properties formed from vinylene carbonate and fluoroethylene carbonate

Ingår i Journal of Power Sources, 2020.

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Pazoki, Meysam; Larsson, Ernst Dennis; Kullgren, Jolla

Density Functional Tight Binding Theory Approach for the CO2 Reduction Reaction Paths on Anatase TiO2 Surfaces

Ingår i ACS Omega, s. 25819-25823, 2020.

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Lourenco, Tuanan C.; Ebadi, Mahsa; Brandell, Daniel; Da Silva, Juarez L. F. et al.

Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study

Ingår i Journal of Physical Chemistry B, s. 9648-9657, 2020.

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Naylor, Andrew J.

Single source precursor route to iron sulfide nanomaterials for energy storage

Ingår i Chemical Physics Letters, 2020.

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Costa, Sara I. R.; Choi, Yong-Seok; Fielding, Alistair J.; Naylor, Andrew J. et al.

Surface engineering strategy using urea to improve the rate performance of Na₂Ti₃O₇ in Na-ion batteries

Ingår i Chemistry - A European Journal, s. 3875-3886, 2021.

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Gudla, Harish; Zhang, Chao; Brandell, Daniel

Effects of Solvent Polarity on Li-ion Diffusion in Polymer Electrolytes: An All-Atom Molecular Dynamics Study with Charge Scaling

Ingår i Journal of Physical Chemistry B, s. 8124-8131, 2020.

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Meier de Andrade, Ageo; Srifa, Pemikar; Broqvist, Peter; Hermansson, Kersti

Lignin Intermediates on Palladium: Insights into Keto-Enol Tautomerization from Theoretical Modelling

Ingår i ChemSusChem, 2020.

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Krishna, Akshay A. K.; Wadbro, Eddie; Köhler, Christof; Mitev, Pavlin D. et al.

CCS: A software framework to generate two-body potentials using Curvature Constrained Splines

Ingår i Computer Physics Communications, 2021.

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Jia, Mei; Zhang, Chao; Cox, Stephen J.; Sprik, Michiel et al.

Computing Surface Acidity Constants of Proton Hopping Groups from Density Functional Theory-Based Molecular Dynamics: Application to the SnO2(110)/H2O Interface

Ingår i Journal of Chemical Theory and Computation, s. 6520-6527, 2020.

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Rosenwinkel, Mark P.; Andersson, Rassmus; Mindemark, Jonas; Schönhoff, Monika

Coordination Effects in Polymer Electrolytes: Fast Li+ Transport by Weak Ion Binding

Ingår i The Journal of Physical Chemistry C, s. 23588-23596, 2020.

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Chai, Zhigang; Mattsson, Andreas; Tesfamhret, Yonas; Österlund, Lars et al.

Ni–Ag Nanostructure-Modified Graphitic Carbon Nitride for Enhanced Performance of Solar-Driven Hydrogen Production from Ethanol

Ingår i ACS Applied Energy Materials, s. 10131-10138, 2020.

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Gliech, Manuel; Görlin, Mikaela; Gocyla, Martin; Klingenhof, Malte et al.

Solute Incorporation at Oxide-Oxide Interfaces Explains How Ternary Mixed-Metal Oxide Nanocrystals Support Element-Specific Anisotropic Growth

Ingår i Advanced Functional Materials, 2020.

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Anuar, S. A.; Loh, K. S.; Samad, S.; Abidin, A. F. Zainul et al.

Effect of Carbon Supports on Oxygen Reduction Reaction of Iron/Cobalt Electrocatalyst

Ingår i International Journal of Nanoelectronics and Materials, s. 225-232, 2020.

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Xu, Hongyi; Ångstrom, Jonas; Eklund, Tobias; Amann-Winkel, Katrin

Electron Beam-Induced Transformation in High-Density Amorphous Ices

Ingår i Journal of Physical Chemistry B, s. 9283-9288, 2020.

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Zhao, Yi; Lu, Yongfeng; Chen, Lu; Wei, Xiaofeng et al.

Redox Dual-Cocatalyst-Modified CdS Double-Heterojunction Photocatalysts for Efficient Hydrogen Production

Ingår i ACS Applied Materials and Interfaces, s. 46073-46083, 2020.

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Andersson, Rassmus; Hernández, Guiomar; Edström, Kristina; Mindemark, Jonas

Micro versus Nano: Impact of Particle Size on the Flow Characteristics of Silicon Anode Slurries

Ingår i ENERGY TECHNOLOGY, 2020.

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He, Wen; Li, Changjiu; Zhao, Beibei; Zhang, Xudong et al.

Metal Ti quantum chain-inlaid 2D NaSn₂(PO₄)₃/H-doped hard carbon hybrid electrodes with ultrahigh energy storage density

Ingår i Chemical Engineering Journal, 2021.

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Lee, Ming-Tao; Liu, Haidong

The Surface Chemistry of Thin Lithium-Metal Electrodes in Lithium-Sulfur Cells

Ingår i Batteries & Supercaps, s. 1370-1376, 2020.

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Ronchi, Rodrigo M.; Marchiori, Cleber; Araujo, Moyses; Arantes, Jeverson T. et al.

Thermoplastic polyurethane - Ti3C2(T-x) MXene nanocomposite: The influence of functional groups upon the matrix-reinforcement interaction

Ingår i Applied Surface Science, 2020.

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Liu, Haidong; Naylor, Andrew J.; Menon, Ashok Sreekumar; Brant, William et al.

Understanding the Roles of Tris(trimethylsilyl) Phosphite (TMSPi) in LiNi0.8Mn0.1Co0.1O2 (NMC811)/Silicon-Graphite (Si-Gr) Lithium-Ion Batteries

Ingår i Advanced Materials Interfaces, 2020.

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Björklund, Erik; Göttlinger, Mara; Edström, Kristina; Younesi, Reza et al.

Sulfolane-Based Ethylene Carbonate-Free Electrolytes for LiNi_0.6Mn_0.2Co_0.2O₂-Li₄Ti₅O₁₂ Batteries

Ingår i Batteries & supercaps, s. 201-207, 2020.

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Tezel, Ahmet Oguz; Streich, Daniel Klaus; Gueguen, Aurelie; Hahlin, Maria et al.

Solid Electrolyte Interphase (SEI) Formation on the Graphite Anode in Electrolytes Containing the Anion Receptor Tris(hexafluoroisopropyl)borate (THFIPB)

Ingår i Journal of the Electrochemical Society, 2020.

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Kim, Hyeyun; Mattinen, Ulriika; Guccini, Valentina; Liu, Haidong et al.

Feasibility of Chemically Modified Cellulose Nanofiber Membranes as Lithium-Ion Battery Separators

Ingår i ACS Applied Materials and Interfaces, s. 41211-41222, 2020.

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Zhang, Chao; Sayer, Thomas; Hutter, Juerg; Sprik, Michiel

Modelling electrochemical systems with finite field molecular dynamics

Ingår i Journal of Physics, 2020.

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Marchiori, Cleber; Pereira de Carvalho, Rodrigo; Ebadi, Mahsa; Brandell, Daniel et al.

Understanding the Electrochemical Stability Window of Polymer Electrolytes in Solid-State Batteries from Atomic-Scale Modeling: The Role of Li-Ion Salts

Ingår i Chemistry of Materials, s. 7237-7246, 2020.

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Qiu, Zhengfu; Yuan, Shuai; Wang, Zhuyi; Shi, Liyi et al.

Construction of silica-oxygen-borate hybrid networks on Al2O3-coated polyethylene separators realizing multifunction for high-performance lithium ion batteries

Ingår i Journal of Power Sources, 2020.

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Hakim, Charifa; Asfaw, Habtom Desta; Dahbi, Mouad; Brandell, Daniel et al.

P-doped Hard Carbon as Anode Material for Sodium-ion Batteries

Ingår i Proceedings of 2019 7th international renewable and sustainable energy conference (IRSEC), s. 754-756, 2019.

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Zhao, Beibei; Zhang, Xudong; Xu, Guogang; Hui, Kwan San et al.

NaSn2(PO4)(3) submicro-particles for high performance Na/Li mixed-ion battery anodes

Ingår i Journal of Alloys and Compounds, 2020.

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Zhai, Pan; Fu, Lixin; Yuan, Shuai; Shi, Liyi et al.

Ionic Conductive Thermoplastic Polymer Welding Layer for Low Electrode/Solid Electrolyte Interface Resistance

Ingår i ACS Applied Energy Materials, s. 7011-7019, 2020.

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Liang, Huali; Yuan, Shuai; Shi, Liyi; Zhao, Yin et al.

Highly-ordered microstructure and well performance of LiNi_0.6Mn_0.2Co_0.2O₂ cathode material via the continuous microfluidic synthesis

Ingår i Chemical Engineering Journal, 2020.

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Asfaw, Habtom Desta; Tai, C. -W; Valvo, Mario; Younesi, Reza

Facile synthesis of hard carbon microspheres from polyphenols for sodium-ion batteries: insight into local structure and interfacial kinetics

Ingår i Materials Today Energy, 2020.

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Gebresenbut, Girma Hailu; Shiino, Takayuki; Eklof, Daniel; Joshi, Deep Chandra et al.

Atomic-Scale Tuning of Tsai-Type Clusters in RE-Au-Si Systems (RE = Gd, Tb, Ho)

Ingår i Inorganic Chemistry, s. 9152-9162, 2020.

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Aktekin, Burak; Massel, Felix; Ahmadi, Majid; Valvo, Mario et al.

How Mn/Ni Ordering Controls Electrochemical Performance in High-Voltage Spinel LiNi0.44Mn1.56O4 with Fixed Oxygen Content

Ingår i ACS Applied Energy Materials, s. 6001-6013, 2020.

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Naylor, Andrew J.; Källquist, Ida; Peralta, David; Martin, Jean-Frederic et al.

Stabilization of Li-Rich Disordered Rocksalt Oxyfluoride Cathodes by Particle Surface Modification

Ingår i ACS Applied Energy Materials, s. 5937-5948, 2020.

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Zhang, Xilin; Zhang, Yiying; Cheng, Cheng; Yang, Zongxian et al.

Tuning the ORR activity of Pt-based Ti(2)CO(2)MXenes by varying the atomic cluster size and doping with metals

Ingår i Nanoscale, s. 12497-12507, 2020.

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Källquist, Ida; Martin, Jean-Frederic; Naylor, Andrew J.; Baur, Christian et al.

Influence of Electrolyte Additives on the Degradation of Li2VO2F Li-Rich Cathodes

Ingår i The Journal of Physical Chemistry C, s. 12956-12967, 2020.

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Hernández, Guiomar; Naylor, Andrew J.; Chien, Yu-Chuan; Brandell, Daniel et al.

Elimination of Fluorination: The Influence of Fluorine-Free Electrolytes on the Performance of LiNi1/3Mn1/3Co1/3O2/Silicon-Graphite Li-Ion Battery Cells

Ingår i ACS SUSTAINABLE CHEMISTRY & ENGINEERING, s. 10041-10052, 2020.

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Meier de Andrade, Ageo; Srifa, Pemikar; Broqvist, Peter; Hermansson, Kersti

Lignin intermediates on palladium: Insights from theoretical modelling

Ingår i ChemSusChem, 2020.

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Shao, Yunqi; Shigenobu, Keisuke; Watanabe, Masayoshi; Zhang, Chao

Role of Viscosity in Deviations from the Nernst-Einstein Relation

Ingår i Journal of Physical Chemistry B, s. 4774-4780, 2020.

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Wu, Honglu; Zhang, Yang; Zhang, Xudong; Hui, Kwan San et al.

Low cost Na₂FeSiO₄/H-N-doped hard carbon nanosphere hybrid cathodes for high energy and power sodium-ion supercapacitors

Ingår i Journal of Alloys and Compounds, 2020.

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Johansson, Isabell L.; Brandell, Daniel; Mindemark, Jonas

Mechanically Stable UV-Crosslinked Polyester-Polycarbonate Solid Polymer Electrolyte for High-Temperature Batteries

Ingår i Batteries & Supercaps, s. 527-533, 2020.

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Katea, Sarmad Naim; Broqvist, Peter; Kullgren, Jolla; Hemmer, Eva et al.

Fast, Low-Cost Synthesis of ZnO:Eu Nanosponges and the Nature of Ln Doping in ZnO

Ingår i Inorganic Chemistry, s. 7584-7602, 2020.

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Meier de Andrade, Ageo; Kullgren, Jolla; Broqvist, Peter

Quantitative and qualitative performance of density functional theory rationalized by reduced density gradient distributions

Ingår i Phys. Rev. B, 2020.

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Agosta, Lorenzo; Metere, Alfredo; Oleynikov, Peter; Dzugutov, Mikhail

Self-assembly of a triply periodic continuous mesophase with Fddd symmetry in simple one-component liquids

Ingår i Journal of Chemical Physics, 2020.

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Shao, Yunqi; Hellström, Matti; Yllö, Are; Mindemark, Jonas et al.

Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 10426-10430, 2020.

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Wei, Wei; Ihrfors, Charlotte; Björefors, Fredrik; Nyholm, Leif

Capacity Limiting Effects for Freestanding, Monolithic TiO2 Nanotube Electrodes with High Mass Loadings

Ingår i ACS Applied Energy Materials, s. 4638-4649, 2020.

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Mozhzhukhina, Nataliia; Flores, Eibar; Lundström, Robin; Nyström, Ville et al.

Direct Operando Observation of Double Layer Charging and Early Solid Electrolyte Interphase Formation in Li-Ion Battery Electrolytes

Ingår i Journal of Physical Chemistry Letters, s. 4119-4123, 2020.

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Zhang, Chao; Sprik, Michiel

Electromechanics of the liquid water vapour interface

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 10676-10686, 2020.

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Chen, Lu; Zhu, Dongyan; Li, Jintao; Wang, Xuxu et al.

Sulfur and potassium co-doped graphitic carbon nitride for highly enhanced photocatalytic hydrogen evolution

Ingår i Applied Catalysis B, 2020.

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Bedin, Michele

A diiron complex as a structural model of Class 1a Robonucleotide Reductase

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Colozza, Noemi; Sassolini, Alessandro; Agosta, Lorenzo; Bonfanti, Alfredo et al.

A Paper-Based Potentiometric Sensor for Solid Samples: Corrosion Evaluation of Reinforcements Embedded in Concrete Structures as a Case Study

Ingår i ChemElectroChem, s. 2274-2282, 2020.

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Edström, Kristina

Battery 2030+ Roadmap

2020.

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Åkerlund, Lisa; Emanuelsson, Rikard; Hernández, Guiomar; Strømme, Maria et al.

A crosslinked conducting polymer with well-defined proton trap function for reversible proton cycling in aprotic environments

Ingår i Journal of Materials Chemistry A, s. 12114-12123, 2020.

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Yang, Jiaojiao; Luo, Jun; Liu, Haidong; Shi, Liyang et al.

Electrochemically Active, Compressible, and Conducting Silk Fibroin Hydrogels

Ingår i Industrial & Engineering Chemistry Research, s. 9310-9317, 2020.

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Unge, Mikael; Gudla, Harish; Zhang, Chao; Brandell, Daniel

Electronic conductivity of polymer electrolytes: electronic charge transport properties of LiTFSI-doped PEO

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 7680-7684, 2020.

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Pereira de Carvalho, Rodrigo; Marchiori, Cleber; Brandell, Daniel; Araujo, Carlos Moyses

Tuning the Electrochemical Properties of Organic Battery Cathode Materials: Insights from Evolutionary Algorithm DFT Calculations

Ingår i ChemSusChem, s. 2402-2409, 2020.

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Lindberg, S.; Jeschke, S.; Jankowski, P.; Abdelhamid, Muhammad et al.

Charge storage mechanism of alpha-MnO2 in protic and aprotic ionic liquid electrolytes

Ingår i Journal of Power Sources, 2020.

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Ojwang, Dickson O.; Häggström, Lennart; Ericsson, Tore; Ångstrom, Jonas et al.

Influence of sodium content on the thermal behavior of low vacancy Prussian white cathode material

Ingår i Dalton Transactions, s. 3570-3579, 2020.

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Kitz, Paul G.; Novak, Petr; Berg, Erik

Influence of Water Contamination on the SEI Formation in Li-Ion Cells: An Operando EQCM-D Study

Ingår i ACS Applied Materials and Interfaces, s. 15934-15942, 2020.

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Benatto, L.; Marchiori, Cleber F.N.; Talka, T.; Aramini, M. et al.

Comparing C-60 and C-70 as acceptor in organic solar cells: Influence of the electronic structure and aggregation size on the photovoltaic characteristics

Ingår i Thin Solid Films, 2020.

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Agosta, Lorenzo; Brandt, Erik G.; Lyubartsev, Alexander

Improved Sampling in Ab Initio Free Energy Calculations of Biomolecules at Solid-Liquid Interfaces: Tight-Binding Assessment of Charged Amino Acids on TiO2 Anatase (101)

Ingår i Computation, 2020.

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Ahmed, Taha; Edvinsson, Tomas

Optical Quantum Confinement in Ultrasmall ZnO and the Effect of Size on Their Photocatalytic Activity

Ingår i The Journal of Physical Chemistry C, s. 6395-6404, 2020.

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Shao, Yunqi; Hellström, Matti; Mitev, Pavlin D.; Knijff, Lisanne et al.

PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials

Ingår i Journal of Chemical Information and Modeling, s. 1184-1193, 2020.

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Duchon, Tomas; Hackl, Johanna; Mueller, David N.; Kullgren, Jolla et al.

Establishing structure-sensitivity of ceria reducibility: real-time observations of surface hydrogen interactions

Ingår i Journal of Materials Chemistry A, s. 5501-5507, 2020.

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Carvalho, Paulo H. B. Brant; Amber, Mace; Andersson, Ove; Tulk, Chris A. et al.

Elucidating the guest disorder in structure II argon hydrate - A neutron diffraction isotopic substitution study

Ingår i Journal of Solid State Chemistry, 2020.

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Mogensen, Ronnie

Realization of Sodium-ion Batteries: From Electrode to Electrolyte Materials

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Mogensen, Ronnie; Buckel, Alexander; Colbin, Simon; Younesi, Reza

A wide temperature, low-cost, fluorine-free battery electrolyte based on sodium bis(oxalato)borate

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Mogensen, Ronnie; Colbin, Simon; Younesi, Reza

Non-carbonate solvents as electrolytes for sodium-ion batteries: candidate evaluation and resistance behavior of additives and co-solvents

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Mogensen, Ronnie; Colbin, Simon; Menon, Ashok Sreekumar; Björklund, Erik et al.

Sodium bis(oxalato)borate (NaBOB) in trimethyl phosphate: a fire-extinguishing, fluorine-free, and low-cost electrolyte for fullcell sodium-ion batteries

Ingår i ACS Applied Energy Materials, s. 4974-4982, 2020.

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Eriksson, Therese; Amber, Mace; Manabe, Yumehiro; Yoshizawa-Fujita, Masahiro et al.

Polyketones as Host Materials for Solid Polymer Electrolytes

Ingår i Journal of the Electrochemical Society, 2020.

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Röckert, Andreas; Kullgren, Jolla; Broqvist, Peter; Alwan, Seif et al.

The water/ceria(111) interface: Computational overview and new structures

Ingår i Journal of Chemical Physics, 2020.

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Rosli, Nur Adiera Hanna; Loh, Kee Shyuan; Wong, Wai Yin; Yunus, Rozan Mohamad et al.

Review of Chitosan-Based Polymers as Proton Exchange Membranes and Roles of Chitosan-Supported Ionic Liquids

Ingår i International Journal of Molecular Sciences, 2020.

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Ebadi, Mahsa; Eriksson, Therese; Mandal, Prithwiraj; Costa, Luciano T. et al.

Restricted Ion Transport by Plasticizing Side Chains in Polycarbonate-Based Solid Electrolytes

Ingår i Macromolecules, s. 764-774, 2020.

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Kim, Eun Jeong; Ma, Le Anh; Duda, Laurent; Pickup, David M. et al.

Oxygen Redox Activity through a Reductive Coupling Mechanism in the P3-Type Nickel-Doped Sodium Manganese Oxide

Ingår i ACS Applied Energy Materials, s. 184-191, 2020.

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Chien, Yu-Chuan; Menon, Ashok S.; Brant, William; Brandell, Daniel et al.

Simultaneous Monitoring of Crystalline Active Materials and Resistance Evolution in Lithium-Sulfur Batteries

Ingår i Journal of the American Chemical Society, s. 1449-1456, 2020.

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Menon, Ashok S.; Ojwang, Dickson O.; Willhammar, Tom; Peterson, Vanessa K. et al.

Influence of Synthesis Routes on the Crystallography, Morphology, and Electrochemistry of Li2MnO3

Ingår i ACS Applied Materials and Interfaces, s. 5939-5950, 2020.

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Hakim, Charifa; Sabi, Noha; Ma, Le Anh; Dahbi, Mouad et al.

Understanding the redox process upon electrochemical cycling of the P2-Na0.78Co1/2Mn1/3Ni1/6O2 electrode material for sodium-ion batteries

Ingår i Communications Chemistry, 2020.

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Zhang, Xudong; Xu, Xiaolong; Hu, Yuebo; Xu, Guogang et al.

C-60/Na4FeO3/Li3V2(PO4)(3)/soft carbon quaternary hybrid superstructure for high-performance battery-supercapacitor hybrid devices

Ingår i NPG ASIA MATERIALS, 2020.

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Nilsson, Viktor; Johansson, Patrik; Edström, Kristina; Younesi, Reza

Additives and Separators for LiTFSI – EC Electrolytes vs. Lithium metal, Graphite and NMC622 Electrodes

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Nilsson, Viktor

Highly Concentrated Electrolytes for Rechargeable Lithium Batteries

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Nilsson, Viktor; Kotronia, Antonia; Lacey, Matthew; Edström, Kristina et al.

Highly Concentrated LiTFSI-EC Electrolytes for Lithium Metal Batteries

Ingår i ACS Applied Energy Materials, s. 200-207, 2020.

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Nilsson, Viktor; Bernin, Diana; Brandell, Daniel; Edström, Kristina et al.

Interactions and Transport in LiTFSI-based Highly Concentrated Electrolytes

Ingår i ChemPhysChem, s. 1166-1176, 2020.

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Raju, Kumar; Han, Hyungkyu; Velusamy, Dhinesh Babu; Jiang, Qiu et al.

Rational Design of 2D Manganese Phosphate Hydrate Nanosheets as Pseudocapacitive Electrodes

Ingår i ACS Energy Letters, s. 23-30, 2020.

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Flores, Eibar; Novak, Petr; Aschauer, Ulrich; Berg, Erik

Cation Ordering and Redox Chemistry of Layered Ni-Rich LixNi1-2yCoyMnyO2: An Operando Raman Spectroscopy Study

Ingår i Chemistry of Materials, s. 186-194, 2020.

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Kotronia, Antonia; Asfaw, Habtom Desta; Tai, Cheuk-Wai; Edström, Kristina et al.

Catalytically graphitized freestanding carbon foams for 3D Li-ion microbatteries

Ingår i Journal of Power Sources Advances, 2020.

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Ershadi, Mahshid; Javanbakht, Mehran; Mozaffari, Sayed Ahmad; Brandell, Daniel et al.

Facile stitching of graphene oxide nanosheets with ethylenediamine as three dimensional anode material for lithium-ion battery

Ingår i Journal of Alloys and Compounds, 2020.

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Pellegrini, Vittorio; Bodoardo, Silvia; Brandell, Daniel; Edström, Kristina

Challenges and perspectives for new material solutions in batteries

Ingår i Solid State Communications, 2019.

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Samad, Shuaiba; Loh, Kee Shyuan; Wong, Wai Yin; Sudarsono, Wulandhari et al.

Effect of various Fe/Co ratios and annealing temperatures on a Fe/Co catalyst supported with nitrogen-doped reduced graphene oxide towards the oxygen reduction reaction

Ingår i Journal of Alloys and Compounds, 2020.

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Sångeland, Christofer; Mindemark, Jonas; Younesi, Reza; Brandell, Daniel

Probing the interfacial chemistry of solid-state lithium batteries

Ingår i Solid State Ionics, 2019.

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Hernández, Guiomar; Xu, Chao; Abbrent, Sabina; Kobera, Libor et al.

Fluoroethylene Carbonate Containing Electrolytes: Origin of Poor Shelf Life and Its Mitigation

2019.

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Hernández, Guiomar; Xu, Chao; Abbrent, Sabina; Kobera, Libor et al.

Fluoroethylene Carbonate Containing Electrolytes: Origin of Poor Shelf Life and Its Mitigation

2019.

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Hernández, Guiomar; Naylor, Andrew J.; Mindemark, Jonas; Brandell, Daniel et al.

Non-Fluorinated Electrolytes for Si-based Li-ion Battery Anodes

2019.

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Gu, Xiuquan; Li, Cuiyan; Yuan, Shuai; Ma, Mingguo et al.

ZnO based heterojunctions and their application in environmental photocatalysis

Ingår i Nanotechnology, 2016.

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Gu, Xiuquan; Edvinsson, Tomas; Zhu, Jiefang

ZnO nanomaterials: Strategies for improvement of photocatalytic and photoelectrochemical activities

Ingår i Current Developments in Photocatalysis and Photocatalytic Materials, s. 231-244, 2019.

DOI Till DiVA

Zhang, Chao; Shao, Yunqi; Gudla, Harish; Yllö, Are et al.

Molecular Dynamics Simulations of the Ionic Conductivity:: From Aqueous Electrolytes to Polymer Electrolytes

2019.

Till DiVA

Zhang, Chao; Sprik, Michiel

Toward first-principles modelling of charged solid-electrolyte interfaces

2019.

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Naylor, Andrew J.; Makkos, Eszter; Maibach, Julia; Guerrini, Niccolò et al.

Depth-dependent oxygen redox activity in lithium-rich layered oxide cathodes

Ingår i Journal of Materials Chemistry A, s. 25355-25368, 2019.

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Naylor, Andrew J.; Carboni, Marco; Valvo, Mario; Younesi, Reza

Interfacial Reaction Mechanisms on Graphite Anodes for K-Ion Batteries

Ingår i ACS Applied Materials and Interfaces, s. 45636-45645, 2019.

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Lindgren, Fredrik; Rehnlund, David; Pan, Ruijun; Pettersson, Jean et al.

On the Capacity Losses Seen for Optimized Nano-Si Composite Electrodes in Li-Metal Half-Cells

Ingår i Advanced Energy Materials, 2019.

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Lv, Fei; Wang, Zhuyi; Shi, Liyi; Zhu, Jie-Fang et al.

Challenges and development of composite solid-state electrolytes for high-performance lithium ion batteries

Ingår i Journal of Power Sources, 2019.

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Baur, Christian; Källquist, Ida; Chable, Johann; Chang, Jin Hyun et al.

Improved cycling stability in high-capacity Li-rich vanadium containing disordered rock salt oxyfluoride cathodes

Ingår i Journal of Materials Chemistry A, s. 21244-21253, 2019.

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Damas, Giane; von Kieseritzky, Fredrik; Hellberg, Jonas; Marchiori, Cleber et al.

Symmetric Small-Molecules With Acceptor-Donor-Acceptor Architecture for Efficient Visible-Light Driven Hydrogen Production: Optical and Thermodynamic Aspects

Ingår i The Journal of Physical Chemistry C, s. 30799-30808, 2019.

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Meng, Qijun; Zhang, Biaobiao; Fan, Lizhou; Liu, Haidong et al.

Efficient BiVO4 Photoanodes by Postsynthetic Treatment: Remarkable Improvements in Photoelectrochemical Performance from Facile Borate Modification

Ingår i Angewandte Chemie International Edition, s. 19027-19033, 2019.

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Gerz, Isabelle; Lindh, E. Mattias; Thordarson, Pall; Edman, Ludvig et al.

Oligomer Electrolytes for Light-Emitting Electrochemical Cells: Influence of the End Groups on Ion Coordination, Ion Binding, and Turn-on Kinetics

Ingår i ACS Applied Materials and Interfaces, s. 40372-40381, 2019.

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Bako, Imre; Daru, Janos; Pothoczki, Szilvia; Pusztai, Laszlo et al.

Effects of H-bond asymmetry on the electronic properties of liquid water: An AIMD analysis

Ingår i Journal of Molecular Liquids, 2019.

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Zand, Zahra; Salimi, Payam; Mohammadi, Mohammad Reza; Bagheri, Robabeh et al.

Nickel-Vanadium Layered Double Hydroxide under Water-Oxidation Reaction: New Findings and Challenges

Ingår i ACS SUSTAINABLE CHEMISTRY & ENGINEERING, s. 17252-17262, 2019.

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Goktas, Mustafa; Bolli, Christoph; Buchheim, Johannes; Berg, Erik et al.

Stable and Unstable Diglyme-Based Electrolytes for Batteries with Sodium or Graphite as Electrode

Ingår i ACS Applied Materials and Interfaces, s. 32844-32855, 2019.

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Fossépré, Mathieu; Leherte, Laurence; Laaksonen, Aatto; Vercauteren, Daneil P.

Understanding the Structure and Dynamics of Peptides and Proteins Through the Lens of Network Science

Ingår i Biomolecular Simulations in Structure-based Drug Discovery, 2019.

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Sarman, Sten; Wang, Yonglei; Laaksonen, Aatto

Variational Principle for Nonequilibrium Steady States Tested by Molecular Dynamics Simulation of Model Liquid Crystal Systems

Ingår i Non-Equilibrium Particle Dynamics, 2019.

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Zhang, Xudong; Bi, Zhiying; Xu, Guogang; Li, Changgang et al.

Binary superlattice ceramic membrane-coated soft carbon/hard carbon microspheres for high energy mixed-ion batteries

Ingår i Journal of Power Sources, 2019.

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Phadatare, Manisha; Patil, Rohan; Blomquist, Nicklas; Forsberg, Sven et al.

Silicon-Nanographite Aerogel-Based Anodes for High Performance Lithium Ion Batteries

Ingår i Scientific Reports, 2019.

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Kotronia, Antonia; Asfaw, Habtom Desta; Tai, Cheuk-Wai; Edström, Kristina et al.

3D Electrodes Fabricated from Nano-graphitic Carbon Foams with Enhanced Lithium-ion Storage

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Krishna, Akshay; Wadbro, Eddie; Kholer, Christof; Mitev, Pavlin D. et al.

A material chemistry tool for generating two body potentials

2019.

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Amber, Mace

Multiscale modeling of battery materials

2019.

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Marchiori, Cleber; Amber, Mace; Kullgren, Jolla; Broqvist, Peter

Multiscale Modeling of Battery Materials

2019.

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Shao, Yunqi; Hellström, Matti; Mitev, Pavlin D.; Knijff, Lisanne et al.

PiNN: A Python library for building atomic neural networks of molecules and materials

2019.

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Kotronia, Antonia; Asfaw, Habtom Desta; Hahlin, Maria; Brandell, Daniel et al.

The Cathode Electrolyte Interphase on Graphite Positive Electrode in Dual-ion Batteries Probed Using X-ray Photoelectron Spectroscopy

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Kotronia, Antonia

The multifunctional role of carbon in electrochemical energy storage: Graphitic foams for 3D microbatteries and dual-ion batteries

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Benatto, Leandro; Marchiori, Cleber; Araujo, Carlos Moyses; Koehler, Marlus

Molecular origin of efficient hole transfer from non-fullerene acceptors: insights from first-principles calculations

Ingår i Journal of Materials Chemistry C, s. 12180-12193, 2019.

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Acker, Pascal; Rzesny, Luisa; Marchiori, Cleber F. N.; Araujo, Carlos Moyses et al.

π-Conjugation Enables Ultra-High Rate Capabilities and Cycling Stabilities in Phenothiazine Copolymers as Cathode-Active Battery Materials

Ingår i Advanced Functional Materials, 2019.

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Chien, Yu-Chuan; Pan, Ruijun; Lee, Ming-Tao; Nyholm, Leif et al.

Cellulose Separators With Integrated Carbon Nanotube Interlayers for Lithium-Sulfur Batteries: An Investigation into the Complex Interplay between Cell Components

Ingår i Journal of the Electrochemical Society, s. A3235-A3241, 2019.

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Broqvist, Peter; Kullgren, Jolla; Zhang, Chao; Mitev, Pavlin D. et al.

Chemistry of Complex Materials

2019.

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Kocmaruk, Bojana; Kullgren, Jolla; Broqvist, Peter

Computational modelling of nanosystems

2019.

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Kocmaruk, Bojana; Kullgren, Jolla; Broqvist, Peter

Computational modelling of nanosystems

2019.

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Jia, Mei; Cheng, Jun; Zhang, Chao

Finite-field molecular dynamics simulations of electrochemical interfaces: the case of electrified SnO2(110)

2019.

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Fu, Lixin; Shi, Liyi; Wang, Zhuyi; Zhu, Jie-Fang et al.

Nanocoating inside porous PE separator enables enhanced ionic transport of GPE and stable cycling of Li-metal anode

Ingår i Research on chemical intermediates (Print), s. 4959-4973, 2019.

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Meier de Andrade, Ageo; Kullgren, Jolla; Broqvist, Peter

Rationalizing Results from Density Functional Theory in Terms of Exchange Energy and Dispersion Interactions

2019.

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Brant, William; Mogensen, Ronnie; Colbin, Simon; Ojwang, Dickson O. et al.

Selective Control of Composition in Prussian White for Enhanced Material Properties

Ingår i Chemistry of Materials, s. 7203-7211, 2019.

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Meier de Andrade, Ageo; Kullgren, Jolla; Broqvist, Peter

vdW FUNCTIONALS AND DISPERSION CORRECTIONS IMPROVE ACCURACY IN DFT CALCULATIONS OF A BIMETALLIC CATALYSTvdW FUNCTIONALS AND DISPERSION CORRECTIONS IMPROVE ACCURACY IN DFT CALCULATIONS OF A BIMETALLIC CATALYST

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Mirsakiyeva, Amina; Ebadi, Mahsa; Araujo, Carlos Moyses; Brandell, Daniel et al.

Initial Steps in PEO Decomposition on a Li Metal Electrode

Ingår i The Journal of Physical Chemistry C, s. 22851-22857, 2019.

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Renman, Viktor; Ojwang, Dickson O.; Gómez, Cesar Pay; Gustafsson, Torbjörn et al.

Manganese Hexacyanomanganate as a Positive Electrode for Nonaqueous Li-, Na-, and K-Ion Batteries

Ingår i The Journal of Physical Chemistry C, s. 22040-22049, 2019.

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Damas, Giane; Marchiori, Cleber; Araujo, Carlos Moyses

Tailoring the Electron-Rich Moiety in Benzothiadiazole-Based Polymers for an Efficient Photocatalytic Hydrogen Evolution Reaction

Ingår i The Journal of Physical Chemistry C, s. 25531-25542, 2019.

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Liu, Lei; Skogby, Henrik; Ivanov, Sergey; Weil, Matthias et al.

Bandgap engineering in Mn₃TeO₆: giant irreversible bandgap reduction triggered by pressure

Ingår i Chemical Communications, s. 12000-, 2019.

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Källquist, Ida; Naylor, Andrew J.; Baur, Christian; Chable, Johann et al.

Degradation Mechanisms in Li₂VO₂F Li-Rich Disordered Rock-Salt Cathodes

Ingår i Chemistry of Materials, s. 6084-6096, 2019.

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Zhang, Hao; Shi, Liyi; Zhao, Yin; Wang, Zhuyi et al.

A simple method to enhance the lifetime of Ni-rich cathode by using low-temperature dehydratable molecular sieve as water scavenger

Ingår i Journal of Power Sources, 2019.

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Wang, Huan; Emanuelsson, Rikard; Liu, Haidong; Edström, Kristina et al.

Redox-State-Dependent Interplay between Pendant Group and Conducting Polymer Backbone in Quinone-Based Conducting Redox Polymers for Lithium Ion Batteries

Ingår i ACS Applied Energy Materials, s. 7162-7170, 2019.

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Meier de Andrade, Ageo; Kullgren, Jolla; Sá, Jacinto; Broqvist, Peter

Insights into reactive nanoparticles

2019.

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Meier de Andrade, Ageo; Kullgren, Jolla; Broqvist, Peter

On the Importance of Dispersion in Electronic Structure Calculations of NanoAlloys

2019.

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Meier de Andrade, Ageo; Kullgren, Jolla; Broqvist, Peter

vdW FUNCTIONALS AND DISPERSION CORRECTIONS IMPROVE ACCURACY IN DFT CALCULATIONS OF A BIMETALLIC CATALYST

2019.

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Meier de Andrade, Ageo; Kullgren, Jolla; Broqvist, Peter

vdW FUNCTIONALS AND DISPERSION CORRECTIONS IMPROVE ACCURACY IN DFT CALCULATIONS OF A BIMETALLIC CATALYST

2019.

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