Publications within Structural Chemistry

  • 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

    Part of Crystal Growth & Design, p. 3355-3363, 2021.

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

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

    Part of Batteries & Supercaps, p. 791-814, 2021.

    Open access
  • 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

    Part of Journal of Solid State Electrochemistry, p. 1339-1351, 2021.

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

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

    Part of JOURNAL OF POWER SOURCES ADVANCES, 2021.

    Open access
  • Jia, Mei; Zhang, Chao; Cheng, Jun

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

    Part of Journal of Physical Chemistry Letters, p. 4616-4622, 2021.

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

    Operando Monitoring the Insulator-Metal Transition of LiCoO2

    Part of ACS Applied Materials and Interfaces, p. 22540-22548, 2021.

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

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

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

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

  • Asfaw, Habtom Desta; Kotronia, Antonia

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

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

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

  • 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

    Part of ACS Applied Energy Materials, p. 2531-2542, 2021.

    Open access
  • 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

    Part of ACS Applied Energy Materials, p. 3008-3016, 2021.

    Open access
  • 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

    Part of MATERIALS ADVANCES, p. 1024-1034, 2021.

    Open access
  • 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

    Part of Catalysis Science & Technology, p. 3347-3352, 2021.

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

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

    Part of Molecules, 2021.

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

    On the Manganese Dissolution Process from LiMn2O4 Cathode Materials

    Part of ChemElectroChem, p. 1516-1523, 2021.

    Open access
  • 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

    Part of Journal of Colloid and Interface Science, p. 257-266, 2021.

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

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

    Part of Electrochimica Acta, 2021.

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

    Cost analysis of autonomous battery electric field tractors in agriculture

    Part of Biosystems Engineering, p. 358-376, 2021.

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

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

    Part of ACS Applied Materials and Interfaces, p. 10054-10063, 2021.

    Open access
  • 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

    Part of Journal of Synchrotron Radiation, p. 624-636, 2021.

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

    A Crystallographic Reinvestigation of Li1.2Mn0.6Ni0.2O2

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

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

    Part of Journal of Materials Chemistry A, p. 6050-6069, 2021.

  • Menon, Ashok S.

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

    Open access
  • 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

    Part of Batteries & Supercaps, p. 785-790, 2021.

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

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

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

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

  • Sångeland, Christofer

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

    Open access
  • 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

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

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

    Part of Journal of Physical Chemistry Letters, p. 2809-2814, 2021.

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

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

    Part of Chemistry of Materials, p. 1130-1139, 2021.

    Open access
  • Agosta, Lorenzo; Dzugutov, Mikhail; Hermansson, Kersti

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

    Part of Journal of Chemical Physics, 2021.

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

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

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

    Phonon-Assisted Hot Carrier Generation in Plasmonic Semiconductor Systems

    Part of Nano Letters, p. 1083-1089, 2021.

    Open access
  • 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

    Part of ACS Applied Energy Materials, p. 1924-1935, 2021.

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

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

    Part of ChemSusChem, 2020.

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

    Pressure-induced amorphization of noble gas clathrate hydrates

    Part of Physical Review B, 2021.

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

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

    Part of Journal of Physics, 2021.

    Open access
  • Hedman, Jonas; Nilebo, David; Larsson Langhammer, Elin; Björefors, Fredrik

    Fibre Optic Sensor for Characterisation of Lithium-Ion Batteries

    Part of ChemSusChem, p. 5731-5739, 2020.

    Open access
  • 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

    Part of Energy Technology, 2020.

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

    Acetonitrile-Based Electrolytes for Rechargeable Zinc Batteries

    Part of ENERGY TECHNOLOGY, 2020.

  • 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

    Part of Chemistry - A European Journal, p. 1330-1336, 2021.

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

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

    Part of Physical Review B, 2021.

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

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

    Part of Electrochimica Acta, 2021.

    Open access
  • Zhang, Xilin; Xu, Chang; Zhang, Yiying; Cheng, Cheng et al.

    Regulation of CO oxidation with Pd additives on Nb2CO2 MXene

    Part of International journal of hydrogen energy, p. 8477-8485, 2021.

  • 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

    Part of Electrochimica Acta, 2021.

  • 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

    Part of Journal of Physics D, 2020.

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

    Memory and rejuvenation in a quasicrystal

    Part of Europhysics letters, 2020.

    Open access
  • Lundström, Robin; Berg, Erik

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

    Part of Journal of Power Sources, 2021.

    Open access
  • 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

    Part of ACS Applied Energy Materials, p. 10423-10434, 2020.

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

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

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

    Curvature Constrained Splines for DFTB Repulsive Potential Parametrization

    Part of Journal of Chemical Theory and Computation, p. 1771-1781, 2021.

    Open access
  • Ammothum kandy, Akshay; Wadbro, Eddie; Broqvist, Peter; Kullgren, Jolla

    Development of efficient linearly parametrized force fields for ionic materials

  • Ammothum Kandy, Akshay Krishna

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

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

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

    Part of Journal of Power Sources, 2021.

  • Langhammer, David; Kullgren, Jolla; Österlund, Lars

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

    Part of Journal of the American Chemical Society, p. 21767-21774, 2020.

    Open access
  • 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

    Part of Nature Communications, 2020.

    Open access
  • 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

    Part of ACS Applied Materials and Interfaces, p. 3867-3880, 2021.

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

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

    Part of Journal of Power Sources, 2020.

  • Hermansson, Kersti; Sassolini, Alessandro; Colozza, Noemi; Papa, Elena et al.

    Screen-printed electrode as a cost-effective and miniaturized analytical tool for corrosion monitoring of reinforced concrete

    Part of Electrochemistry Communications, p. 69-72, 2019.

  • 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

    Part of Journal of Raman Spectroscopy, p. 2095-2101, 2020.

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

    Phonon-assisted hot carrier generation in plasmonic semiconductor systems

    Part of Nano letters (Print)

  • 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

    Part of Journal of Power Sources, 2020.

    Open access
  • Pazoki, Meysam; Larsson, Ernst Dennis; Kullgren, Jolla

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

    Part of ACS Omega, p. 25819-25823, 2020.

    Open access
  • 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

    Part of Journal of Physical Chemistry B, p. 9648-9657, 2020.

  • Naylor, Andrew J.

    Single source precursor route to iron sulfide nanomaterials for energy storage

    Part of Chemical Physics Letters, 2020.

  • Naylor, Andrew J.

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

    Part of Chemistry - A European Journal, 2020.

  • 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

    Part of Journal of Physical Chemistry B, p. 8124-8131, 2020.

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

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

    Part of ChemSusChem, 2020.

    Open access
  • 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

    Part of Computer Physics Communications, 2021.

  • 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

    Part of Journal of Chemical Theory and Computation, p. 6520-6527, 2020.

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

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

    Part of The Journal of Physical Chemistry C, p. 23588-23596, 2020.

  • 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

    Part of ACS Applied Energy Materials, p. 10131-10138, 2020.

    Open access
  • 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

    Part of Advanced Functional Materials, 2020.

    Open access
  • 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

    Part of International Journal of Nanoelectronics and Materials, p. 225-232, 2020.

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

    Electron Beam-Induced Transformation in High-Density Amorphous Ices

    Part of Journal of Physical Chemistry B, p. 9283-9288, 2020.

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

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

    Part of ACS Applied Materials and Interfaces, p. 46073-46083, 2020.

    Open access
  • Andersson, Rassmus; Hernández, Guiomar; Edström, Kristina; Mindemark, Jonas

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

    Part of ENERGY TECHNOLOGY, 2020.

    Open access
  • 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

    Part of Chemical Engineering Journal, 2021.

  • Lee, Ming-Tao; Liu, Haidong

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

    Part of Batteries & Supercaps, p. 1370-1376, 2020.

    Open access
  • 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

    Part of Applied Surface Science, 2020.

  • 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

    Part of Advanced Materials Interfaces, 2020.

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

    Sulfolane-Based Ethylene Carbonate-Free Electrolytes for LiNi0.6Mn0.2Co0.2O2-Li4Ti5O12 Batteries

    Part of Batteries & supercaps, p. 201-207, 2020.

  • 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)

    Part of Journal of the Electrochemical Society, 2020.

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

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

    Part of ACS Applied Materials and Interfaces, p. 41211-41222, 2020.

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

    Modelling electrochemical systems with finite field molecular dynamics

    Part of Journal of Physics, 2020.

    Open access
  • 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

    Part of Chemistry of Materials, p. 7237-7246, 2020.

  • 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

    Part of Journal of Power Sources, 2020.

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

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

    Part of Proceedings of 2019 7th international renewable and sustainable energy conference (IRSEC), p. 754-756, 2019.

  • 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

    Part of Journal of Alloys and Compounds, 2020.

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

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

    Part of ACS Applied Energy Materials, p. 7011-7019, 2020.

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

    Highly-ordered microstructure and well performance of LiNi0.6Mn0.2Co0.2O2 cathode material via the continuous microfluidic synthesis

    Part of Chemical Engineering Journal, 2020.

  • 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

    Part of Materials Today Energy, 2020.

    Open access
  • 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)

    Part of Inorganic Chemistry, p. 9152-9162, 2020.

    Open access
  • 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

    Part of ACS Applied Energy Materials, p. 6001-6013, 2020.

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

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

    Part of ACS Applied Energy Materials, p. 5937-5948, 2020.

    Open access
  • 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

    Part of Nanoscale, p. 12497-12507, 2020.

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

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

    Part of The Journal of Physical Chemistry C, p. 12956-12967, 2020.

  • 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

    Part of ACS SUSTAINABLE CHEMISTRY & ENGINEERING, p. 10041-10052, 2020.

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

    Lignin intermediates on palladium: Insights from theoretical modelling

    Part of ChemSusChem, 2020.

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

    Role of Viscosity in Deviations from the Nernst-Einstein Relation

    Part of Journal of Physical Chemistry B, p. 4774-4780, 2020.

    Open access
  • 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

    Part of Journal of Alloys and Compounds, 2020.

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

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

    Part of Batteries & Supercaps, p. 527-533, 2020.

    Open access
  • 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

    Part of Inorganic Chemistry, p. 7584-7602, 2020.

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

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

    Part of Phys. Rev. B, 2020.

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

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

    Part of Journal of Chemical Physics, 2020.

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

    Temperature effects on the ionic conductivity in concentrated alkaline electrolyte solutions

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 10426-10430, 2020.

    Open access
  • Wei, Wei; Ihrfors, Charlotte; Björefors, Fredrik; Nyholm, Leif

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

    Part of ACS Applied Energy Materials, p. 4638-4649, 2020.

    Open access
  • 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

    Part of Journal of Physical Chemistry Letters, p. 4119-4123, 2020.

    Open access
  • Zhang, Chao; Sprik, Michiel

    Electromechanics of the liquid water vapour interface

    Part of Physical Chemistry, Chemical Physics - PCCP, p. 10676-10686, 2020.

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

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

    Part of Applied Catalysis B, 2020.

  • Bedin, Michele

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

  • 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

    Part of ChemElectroChem, p. 2274-2282, 2020.

  • Edström, Kristina

    Battery 2030+ Roadmap

    2020.

    Open access
  • 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

    Part of Journal of Materials Chemistry A, p. 12114-12123, 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; 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

    Part of ACS Applied Energy Materials, p. 4974-4982, 2020.

    Open access
  • 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

    Part of ChemPhysChem, p. 1166-1176, 2020.

  • 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, p. 19027-19033, 2019.

    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. 17252-17262, 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. 825-832, 2019.

    Open access
  • 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. 3061-3070, 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. 4925-4935, 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. 464-473, 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. 4486-4495, 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. 3323-3335, 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

    Towards room temperature operation of all-solid-state Na-ion batteries through polyester-polycarbonate-based polymer electrolytes

    Part of Energy Storage Materials, p. 31-38, 2019.

  • Zhang, Keliang; Zhang, Xudong; He, Wen; Xu, Wangning et al.

    Rational design and kinetics study of flexible sodium-ion full batteries based on binder-free composite film electrodes

    Part of Journal of Materials Chemistry A, p. 9890-9902, 2019.

  • Liang, Shuai; Hall, Kyle Wm.; Laaksonen, Aatto; Zhang, Zhengcai et al.

    Characterizing key features in the formation of ice and gas hydrate systems

    Part of Philosophical Transactions. Series A, 2019.

  • Mussa, Abdilbari Shifa; Liivat, Anti; Marzano, Fernanda; Klett, Matilda et al.

    Fast-charging effects on ageing for energy-optimized automotive LiNi1/3Mn1/3Co1/3O2/graphite prismatic lithium-ion cells

    Part of Journal of Power Sources, p. 175-184, 2019.

    Open access
  • House, Robert A.; Maitra, Urmimala; Jin, Liyu; Lozano, Juan G. et al.

    What Triggers Oxygen Loss in Oxygen Redox Cathode Materials?

    Part of Chemistry of Materials, p. 3293-3300, 2019.

  • Kim, Byung-Hyun; Kullgren, Jolla; Wolf, Matthew J.; Hermansson, Kersti et al.

    Multiscale Modeling of Agglomerated Ceria Nanoparticles: Interface Stability and Oxygen Vacancy Formation

    Part of Frontiers in Chemistry, 2019.

    Open access
  • Qiu, Zhengfu; Shi, Liyi; Wang, Zhuyi; Mindemark, Jonas et al.

    Surface activated polyethylene separator promoting Li+ ion transport in gel polymer electrolytes and cycling stability of Li-metal anode

    Part of Chemical Engineering Journal, p. 321-330, 2019.

  • Franco, Alejandro A.; Rucci, Alexis; Brandell, Daniel; Frayret, Christine et al.

    Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality?

    Part of Chemical Reviews, p. 4569-4627, 2019.

    Open access
  • Ebadi, Mahsa; Marchiori, Cleber; Mindemark, Jonas; Brandell, Daniel et al.

    Assessing structure and stability of polymer/lithium-metal interfaces from first-principles calculations

    Part of Journal of Materials Chemistry A, p. 8394-8404, 2019.

    Open access
  • Carboni, Marco; Manzi, Jessica; Armstrong, Antony Robert; Billaud, Juliette et al.

    Analysis of the Solid Electrolyte Interphase on Hard Carbon Electrodes in Sodium-Ion Batteries

    Part of ChemElectroChem, p. 1745-1753, 2019.

  • Rehnlund, David; Ihrfors, Charlotte; Maibach, Julia; Nyholm, Leif

    Planar lithium: Electrochemical strategies circumventing dendritic lithium growth

    Part of Materials Today, p. 119-120, 2019.

  • Du, Dou; Kullgren, Jolla; Kocmaruk, Bojana; Hermansson, Kersti et al.

    Simulated temperature programmed desorption experiments for calcined nanoceria powders

    Part of Journal of Catalysis, p. 252-259, 2020.

  • Du, Dou; Hermansson, Kersti; Broqvist, Peter; Kullgren, Jolla

    Simulated temperature programmed reduction by H2 — a key to understanding OSC on nanoceria

  • Du, Dou

    Oxygen Storage Chemistry of Nanoceria

    Open access
  • Blidberg, Andreas; Valvo, Mario; Alfredsson, Maria; Tengstedt, Carl et al.

    Electronic changes in poly(3,4-ethylenedioxythiophene)-coated LiFeSO4F during electrochemical lithium extraction

    Part of Journal of Power Sources, p. 84-89, 2019.

  • Björklund, Erik

    Avoiding ageing: Surface degradation of commercial electrode materials in lithium-ion batteries

    Open access
  • Björklund, Erik; Göttlinger, Mara; Edström, Kristina; Brandell, Daniel et al.

    Investigation of dimethyl carbonate and propylene carbonate mixtures for LiNi0.6Mn0.2Co0.2O2-Li4Ti5O12 cells

    Part of ChemElectroChem, p. 3429-3436, 2019.

  • Björklund, Erik; Naylor, Andrew J.; Brant, William; Brandell, Daniel et al.

    Temperature dependence of electrochemical degradation in LiNi1/3Mn1/3Co1/3O2/Li4Ti5O12 cells

    Part of Energy Technology, 2019.

  • Qiu, Zhen; Ma, Yue; Niklasson, Gunnar; Edvinsson, Tomas

    An electrochemical impedance study of alkaline water splitting using nickel (iron) oxides nanosheets

  • Castleton, Christopher W. M.; Lee, Amy; Kullgren, Jolla

    Benchmarking Density Functional Theory Functionals for Polarons in Oxides: Properties of CeO2

    Part of The Journal of Physical Chemistry C, p. 5164-5175, 2019.

  • Qiu, Zhen; Ma, Yue; Edvinsson, Tomas

    In operando Raman spectroscopy of surface phase transformation in iron-doped nickel oxide nanosheets for enhanced overall water splitting

    Part of Nano Energy