Publications within Structural Chemistry

  • Edström, Kristina

    Battery 2030+ Roadmap

    2020.

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

    Electrochemically Active, Compressible, and Conducting Silk Fibroin Hydrogels

    Part of Industrial & Engineering Chemistry Research, p. 9310-9317, 2020.

    Open access
  • Unge, Mikael; Gudla, Harish; Zhang, Chao; Brandell, Daniel

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

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 7680-7684, 2020.

    Open access
  • 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

    Part of ChemSusChem, p. 2402-2409, 2020.

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

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

    Part of Journal of Power Sources, 2020.

    Open access
  • 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

    Part of Dalton Transactions, p. 3570-3579, 2020.

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

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

    Part of ACS Applied Materials and Interfaces, p. 15934-15942, 2020.

  • 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

    Part of Thin Solid Films, 2020.

  • 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)

    Part of Computation, 2020.

    Open access
  • Ahmed, Taha; Edvinsson, Tomas

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

    Part of The Journal of Physical Chemistry C, p. 6395-6404, 2020.

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

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

    Part of Journal of Chemical Information and Modeling, p. 1184-1193, 2020.

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

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

    Part of Journal of Materials Chemistry A, p. 5501-5507, 2020.

  • 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

    Part of Journal of Solid State Chemistry, 2020.

  • Mogensen, Ronnie

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

    Open access
  • Mogensen, Ronnie; Buckel, Alexander; Colbin, Simon; Younesi, Reza

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

  • 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

  • Mogensen, Ronnie; Colbin, Simon; Sreekumar Menon, Ashok; 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

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

    Polyketones as Host Materials for Solid Polymer Electrolytes

    Part of Journal of the Electrochemical Society, 2020.

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

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

    Part of Journal of Chemical Physics, 2020.

    Open access
  • 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

    Part of International Journal of Molecular Sciences, 2020.

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

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

    Part of Macromolecules, p. 764-774, 2020.

    Open access
  • 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

    Part of ACS APPLIED ENERGY MATERIALS, p. 184-191, 2020.

  • 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

    Part of Journal of the American Chemical Society, p. 1449-1456, 2020.

  • 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

    Part of ACS Applied Materials and Interfaces, p. 5939-5950, 2020.

  • 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

    Part of COMMUNICATIONS CHEMISTRY, 2020.

    Open access
  • 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

    Part of NPG ASIA MATERIALS, 2020.

    Open access
  • Nilsson, Viktor; Johansson, Patrik; Edström, Kristina; Younesi, Reza

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

  • Nilsson, Viktor

    Highly Concentrated Electrolytes for Rechargeable Lithium Batteries

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

    Highly Concentrated LiTFSI-EC Electrolytes for Lithium Metal Batteries

    Part of ACS Applied Energy Materials, p. 200-207, 2020.

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

    Interactions and Transport in LiTFSI-based Highly Concentrated Electrolytes

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

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

    Part of ACS ENERGY LETTERS, p. 23-30, 2020.

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

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

    Part of Chemistry of Materials, p. 186-194, 2020.

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

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

    Part of Journal of Power Sources Advances, p. 100002-, 2020.

    Open access
  • 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

    Part of Journal of Alloys and Compounds, 2020.

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

    Challenges and perspectives for new material solutions in batteries

    Part of Solid State Communications, 2019.

    Open access
  • 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

    Part of Journal of Alloys and Compounds, 2020.

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

    Probing the interfacial chemistry of solid-state lithium batteries

    Part of Solid State Ionics, 2019.

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

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

    2019.

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

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

    2019.

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

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

    2019.

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

    ZnO based heterojunctions and their application in environmental photocatalysis

    Part of Nanotechnology, 2016.

  • Gu, Xiuquan; Edvinsson, Tomas; Zhu, Jiefang

    ZnO nanomaterials: Strategies for improvement of photocatalytic and photoelectrochemical activities

    Part of Current Developments in Photocatalysis and Photocatalytic Materials, p. 231-244, 2019.

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

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

    2019.

  • Zhang, Chao; Sprik, Michiel

    Toward first-principles modelling of charged solid-electrolyte interfaces

    2019.

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

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

    Part of Journal of Materials Chemistry A, p. 25355-25368, 2019.

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

    Interfacial Reaction Mechanisms on Graphite Anodes for K-Ion Batteries

    Part of ACS Applied Materials and Interfaces, p. 45636-45645, 2019.

  • 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

    Part of Advanced Energy Materials, 2019.

    Open access
  • 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

    Part of Journal of Power Sources, 2019.

  • 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

    Part of Journal of Materials Chemistry A, p. 21244-21253, 2019.

    Open access
  • 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

    Part of The Journal of Physical Chemistry C, p. 30799-30808, 2019.

  • 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

    Part of Angewandte Chemie International Edition

    Open access
  • 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

    Part of ACS Applied Materials and Interfaces, p. 40372-40381, 2019.

  • 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

    Part of Journal of Molecular Liquids, 2019.

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

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

    Part of ACS SUSTAINABLE CHEMISTRY & ENGINEERING, p. 17252 17252-17262 17262, 2019.

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

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

    Part of ACS Applied Materials and Interfaces, p. 32844-32855, 2019.

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

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

    Part of Biomolecular Simulations in Structure-based Drug Discovery, 2019.

  • Sarman, Sten; Wang, Yonglei; Laaksonen, Aatto

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

    Part of Non-Equilibrium Particle Dynamics, 2019.

    Open access
  • 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

    Part of Journal of Power Sources, 2019.

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

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

    Part of Scientific Reports, 2019.

    Open access
  • 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

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

    A material chemistry tool for generating two body potentials

    2019.

  • Amber, Mace

    Multiscale modeling of battery materials

    2019.

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

    Multiscale Modeling of Battery Materials

    2019.

  • 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.

  • 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

  • Kotronia, Antonia

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

    Open access
  • Benatto, Leandro; Marchiori, Cleber; Araujo, Carlos Moyses; Koehler, Marlus

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

    Part of Journal of Materials Chemistry C, p. 12180-12193, 2019.

  • 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

    Part of Advanced Functional Materials, 2019.

    Open access
  • 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

    Part of Journal of the Electrochemical Society, p. A3235-A3241, 2019.

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

    Chemistry of Complex Materials

    2019.

  • Kocmaruk, Bojana; Kullgren, Jolla; Broqvist, Peter

    Computational modelling of nanosystems

    2019.

  • Kocmaruk, Bojana; Kullgren, Jolla; Broqvist, Peter

    Computational modelling of nanosystems

    2019.

  • Jia, Mei; Cheng, Jun; Zhang, Chao

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

    2019.

  • 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

    Part of Research on chemical intermediates (Print), p. 4959-4973, 2019.

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

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

    2019.

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

    Selective Control of Composition in Prussian White for Enhanced Material Properties

    Part of Chemistry of Materials, p. 7203-7211, 2019.

  • 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

    2019.

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

    Initial Steps in PEO Decomposition on a Li Metal Electrode

    Part of The Journal of Physical Chemistry C, p. 22851-22857, 2019.

  • 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

    Part of The Journal of Physical Chemistry C, p. 22040-22049, 2019.

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

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

    Part of The Journal of Physical Chemistry C, p. 25531-25542, 2019.

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

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

    Part of Chemical Communications, p. 12000-, 2019.

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

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

    Part of Chemistry of Materials, p. 6084-6096, 2019.

    Open access
  • 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

    Part of Journal of Power Sources, 2019.

  • 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

    Part of ACS Applied Energy Materials, p. 7162-7170, 2019.

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

    Insights into reactive nanoparticles

    2019.

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

    On the Importance of Dispersion in Electronic Structure Calculations of NanoAlloys

    2019.

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

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

    2019.

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

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

    2019.

  • Cheng, Cheng; Zhang, Xilin; Yang, Zongxian; Hermansson, Kersti

    Identification of High-Performance Single-Atom MXenes Catalysts for Low-Temperature CO Oxidation

    Part of ADVANCED THEORY AND SIMULATIONS, 2019.

  • Kettner, Miroslav; Duchon, Tomas; Wolf, Matthew J.; Kullgren, Jolla et al.

    Anion-mediated electronic effects in reducible oxides: Tuning the valence band of ceria via fluorine doping

    Part of Journal of Chemical Physics, 2019.

  • Sångeland, Christofer; Mogensen, Ronnie; Brandell, Daniel; Mindemark, Jonas

    Stable Cycling of Sodium Metal All-Solid-State Batteries with Polycarbonate-Based Polymer Electrolytes

    Part of ACS APPLIED POLYMER MATERIALS, p. 825 825-832 832, 2019.

  • Asfaw, Habtom Desta; Kotronia, Antonia; Tai, Cheuk-Wai; Nyholm, Leif et al.

    Tailoring the Microstructure and Electrochemical Performance of 3D Microbattery Electrodes Based on Carbon Foams

    Part of Energy Technology, 2019.

  • Li, Zhenguang; Mindemark, Jonas; Brandell, Daniel; Tominaga, Yoichi

    A concentrated poly(ethylene carbonate)/poly(trimethylene carbonate) blend electrolyte for all-solid-state Li battery

    Part of Polymer journal, p. 753-760, 2019.

  • Ivanov, Sergey; Beran, Premysl; Bush, Alexandr A.; Sarkar, Tapati et al.

    Cation ordering, ferrimagnetism and ferroelectric relaxor behavior in Pb(Fe1-xScx)(2/3)W1/3O3 solid solutions

    Part of European Physical Journal B, 2019.

    Open access
  • Schneider, Simon F.; Bauer, Christian; Novák, Petr; Berg, Erik

    A modeling framework to assess specific energy, costs and environmental impacts of Li-ion and Na-ion batteries

    Part of Sustainable Energy & Fuels, p. 3061 3061-3070 3070, 2019.

    Open access
  • Slawinski, Wojciech A.; Playford, Helen Y.; Hull, Stephen; Norberg, Stefan T. et al.

    Neutron Pair Distribution Function Study of FePO4 and LiFePO4

    Part of Chemistry of Materials, p. 5024-5034, 2019.

  • Zhang, Chao; Huffer, Jurg; Sprik, Michiel

    Coupling of Surface Chemistry and Electric Double Layer at TiO2 Electrochemical Interfaces

    Part of Journal of Physical Chemistry Letters, p. 3871-3876, 2019.

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

    Unraveling and Mitigating the Storage Instability of Fluoroethylene Carbonate-Containing LiPF6 Electrolytes To Stabilize Lithium Metal Anodes for High-Temperature Rechargeable Batteries

    Part of ACS APPLIED ENERGY MATERIALS, p. 4925 4925-4935 4935, 2019.

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

    Unlocking high capacities of graphite anodes for potassium-ion batteries

    Part of RSC Advances, p. 21070-21074, 2019.

    Open access
  • Maibach, Julia; Källquist, Ida; Andersson, Margit; Urpelainen, Samuli et al.

    Probing a battery electrolyte drop with ambient pressure photoelectron spectroscopy

    Part of Nature Communications, 2019.

    Open access
  • Capone, Isaac; Hurlbutt, Kevin; Naylor, Andrew J.; Xiao, Albert W. et al.

    Effect of the Particle-Size Distribution on the Electrochemical Performance of a Red Phosphorus-Carbon Composite Anode for Sodium-Ion Batteries

    Part of Energy & Fuels, p. 4651-4658, 2019.

    Open access
  • Massel, Felix; Hikima, Kazuhiro; Rensmo, Håkan; Suzuki, Kota et al.

    Excess lithium in transition metal layers of epitaxially grown thin film cathodes of Li2MnO3 leads to rapid loss of covalency during first battery cycle

    Part of The Journal of Physical Chemistry C, p. 28519-28526, 2019.

  • Ma, Le Anh; Massel, Felix; Naylor, Andrew J.; Duda, Laurent et al.

    Understanding charge compensation mechanisms in Na0.56Mg0.04Ni0.19Mn0.70O2

    Part of Communications chemistry, 2019.

    Open access
  • Lee, Tian Khoon; Zaini, Nur Farahidayu Mohd; Mobarak, Nadharatun Naiim; Hassan, Nur Hasyareeda et al.

    PEO based polymer electrolyte comprised of epoxidized natural rubber material (ENR50) for Li-Ion polymer battery application

    Part of Electrochimica Acta, p. 283-291, 2019.

  • Ebadi, Mahsa

    Modelling the Molecular World of Electrolytes and Interfaces: Delving into Li-Metal Batteries

    Open access
  • Pan, Ruijun; Sun, Rui; Wang, Zhaohui; Lindh, Jonas et al.

    Double-sided conductive separators for lithium-metal batteries

    Part of Energy Storage Materials, p. 464 464-473 473, 2019.

  • Aktekin, Burak

    The Electrochemistry of LiNi0.5-xMn1.5+xO4-δ in Li-ion Batteries: Structure, Side-reactions and Cross-talk

    Open access
  • Massel, Felix; Aktekin, Burak; Liu, Yi-Sheng; Guo, Jinghua et al.

    The role of anionic processes in Li1xNi0.44Mn1.56O4 studied by resonant inelastic X-ray scattering

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

    How Mn/Ni ordering controls electrochemical performance in high-voltage spinel LiNi0.44Mn1.56O4 (LNMO) with fixed oxygen content

  • Wolf, Matthew J.; Castleton, Christopher W. M.; Hermansson, Kersti; Kullgren, Jolla

    STM Images of Anionic Defects at CeO2(111)-A Theoretical Perspective

    Part of Frontiers in Chemistry, 2019.

    Open access
  • Åkerlund, Lisa; Emanuelsson, Rikard; Hernández, Guiomar; Ruipérez, F. et al.

    The proton trap - a new route to organic energy storage

    Part of Organic Battery Days 2019, 2019.

  • Åkerlund, Lisa; Emanuelsson, Rikard; Hernández, Guiomar; Ruipérez, Fernando et al.

    In situ Investigations of a Proton Trap Material: A PEDOT-Based Copolymer with Hydroquinone and Pyridine Side Groups Having Robust Cyclability in Organic Electrolytes and Ionic Liquids

    Part of ACS Applied Energy Materials, p. 4486 4486-4495 4495, 2019.

  • Edström, Kristina; Pan, Ruijun; Wang, Zhaouhui; Nyholm, Leif et al.

    Separators As a Tool for Enhanced Battery Performance

    Part of International Battery Association 2019, 2019.

  • Aktekin, Burak; Valvo, Mario; Smith, Ronald I.; Sörby, Magnus H. et al.

    Cation Ordering and Oxygen Release in LiNi0.5-xMn1.5+xO4-y (LNMO): In Situ Neutron Diffraction and Performance in Li Ion Full Cells

    Part of ACS APPLIED ENERGY MATERIALS, p. 3323 3323-3335 3335, 2019.

  • Yllö, Are; Zhang, Chao

    Experimental and molecular dynamics study of the ionic conductivity in aqueous LiCl electrolytes

    Part of Chemical Physics Letters, p. 6-10, 2019.

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

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