Structural chemistry

Initial SEI formation in LiBOB-, LiDFOB- and LiBF₄-containing PEO electrolytes

Andersson, Edvin K. W.; Wu, Liang-Ting; Bertoli, Luca; Weng, Yi-Chen et al.

Part of Journal of Materials Chemistry A, p. 9184-9199, 2024

• DOI for Initial SEI formation in LiBOB-, LiDFOB- and LiBF₄-containing PEO electrolytes
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Importance of First Cycle Conditions on the Electrochemical Performance of Hard Carbon and Prussian White Based Sodium-Ion Batteries Using Fire Resistant, Fluorine-Free Electrolyte

Buckel, Alexander; Hall, C. Aram; Ma, Le Anh; Colbin, Simon et al.

Part of Batteries & Supercaps, 2024

• DOI for Importance of First Cycle Conditions on the Electrochemical Performance of Hard Carbon and Prussian White Based Sodium-Ion Batteries Using Fire Resistant, Fluorine-Free Electrolyte
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Magnetic property changes of NdGa upon hydrogen absorption

Cedervall, Johan; Shtender, Vitalii; Manuel, Pascal; Pomjakushin, Vladimir et al.

Part of Physical Review B, 2024

• DOI for Magnetic property changes of NdGa upon hydrogen absorption
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Influence of Finite Diffusion on Cation Insertion-Coupled Electron Transfer Kinetics in Thin Film Electrodes

Chagnot, Matthew; Abello, Sofia; Wang, Ruocun; Dawlaty, Jahan et al.

Part of Journal of the Electrochemical Society, 2024

• DOI for Influence of Finite Diffusion on Cation Insertion-Coupled Electron Transfer Kinetics in Thin Film Electrodes

Influence of state of charge window on the degradation of Tesla lithium-ion battery cells

Chowdhury, Nildari Roy; Smith, Alexander J.; Frenander, Kristian; Mikheenkova, Anastasiia et al.

Part of Journal of Energy Storage, 2024

• DOI for Influence of state of charge window on the degradation of Tesla lithium-ion battery cells

Anodic dissolution of aluminum in non-aqueous electrolyte solutions for sodium-ion batteries

Colbin, Lars Olow Simon; Hall, Charles Aram; Etman, Ahmed S.; Buckel, Alexander et al.

Part of Energy Advances, p. 143-148, 2024

• DOI for Anodic dissolution of aluminum in non-aqueous electrolyte solutions for sodium-ion batteries
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Li₇La₃Zr₂O₁₂ interface functionalization via boric acid treatment: A step to contact improvement

Cuevas, Ignacio; Nkosi, Funeka; Edström, Kristina; Valvo, Mario

Part of Applied Surface Science, 2024

• DOI for Li₇La₃Zr₂O₁₂ interface functionalization via boric acid treatment: A step to contact improvement
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Eu Doping in the GdCd_7.88 Quasicrystal and Its Approximant Crystal GdCd₆

Denoel, Fernand; Huang, Yu-Chin; Kondedan, Neha; Rydh, Andreas et al.

Part of Inorganic Chemistry, p. 5040-5051, 2024

• DOI for Eu Doping in the GdCd_7.88 Quasicrystal and Its Approximant Crystal GdCd₆
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Exploiting hot electrons from a plasmon nanohybrid system for the photoelectroreduction of CO₂

Dey, Ananta; Silveira, Vitor R.; Bericat Vadell, Robert; Lindblad, Andreas et al.

Part of Communications Chemistry, 2024

• DOI for Exploiting hot electrons from a plasmon nanohybrid system for the photoelectroreduction of CO₂
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Probing spin waves in Co₃O₄ nanoparticles for magnonics applications

Feygenson, Mikhail; Huang, Zhongyuan; Xiao, Yinguo; Teng, Xiaowei et al.

Part of Nanoscale, p. 1291-1303, 2024

• DOI for Probing spin waves in Co₃O₄ nanoparticles for magnonics applications
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Challenges and Strategies on Interphasial Regulation for Aqueous Rechargeable Batteries

Geng, Xin; Hou, Xu; He, Xin; Fan, Hong Jin

Part of Advanced Energy Materials, 2024

• DOI for Challenges and Strategies on Interphasial Regulation for Aqueous Rechargeable Batteries

Base-driven Ring-Opening Reactions of Vinylene Carbonate

Gogoi, Neeha; Lundström, Robin; Hernández, Guiomar; Berg, Erik

Part of Journal of the Electrochemical Society, 2024

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Reactivity of Organosilicon Additives with Water in Li-ion Batteries

Gogoi, Neeha; Wahyudi, Wandi; Mindemark, Jonas; Hernández, Guiomar et al.

Part of The Journal of Physical Chemistry C, p. 1654-1662, 2024

• DOI for Reactivity of Organosilicon Additives with Water in Li-ion Batteries
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Phosphate-based polyanionic insertion materials for oxygen electrocatalysis

Gond, Ritambhara; Zhu, Jiefang; Barpanda, Prabeer

Part of Materials Chemistry Frontiers, p. 1153-1170, 2024

• DOI for Phosphate-based polyanionic insertion materials for oxygen electrocatalysis

Reorientational Dynamics in Y(BH₄)₃·xNH₃ (x = 0, 3, and 7): The Impact of NH₃ on BH₄^- Dynamics

Grinderslev, J. B.; Häussermann, U.; Jensen, T. R.; Faraone, A. et al.

Part of The Journal of Physical Chemistry C, p. 4431-4439, 2024

• DOI for Reorientational Dynamics in Y(BH₄)₃·xNH₃ (x = 0, 3, and 7): The Impact of NH₃ on BH₄^- Dynamics
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In Situ Formation of a LiBO₂ Coating Layer and Spinel Phase for Ni-Rich Cathode Materials from a Boric Acid-Etched Precursor

Guo, Ziyin; Shi, Xiaotang; Cao, Longhao; Zhang, Jing et al.

Part of ACS Applied Materials and Interfaces, p. 731-741, 2024

• DOI for In Situ Formation of a LiBO₂ Coating Layer and Spinel Phase for Ni-Rich Cathode Materials from a Boric Acid-Etched Precursor

Predicting Ion Diffusion from the Shape of Potential Energy Landscapes

Gustafsson, Hannes; Kozdra, Melania; Smit, Berend; Barthel, Senja et al.

Part of Journal of Chemical Theory and Computation, p. 18-29, 2024

• DOI for Predicting Ion Diffusion from the Shape of Potential Energy Landscapes
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Revisiting Amides as Cosolvents for Flame Resistant Sodium Bis(oxalato)borate in Triethyl Phosphate Electrolyte

Hall, Charles Aram; Colbin, Simon; Buckel, Alexander; Younesi, Reza

Part of Batteries & Supercaps, 2024

• DOI for Revisiting Amides as Cosolvents for Flame Resistant Sodium Bis(oxalato)borate in Triethyl Phosphate Electrolyte
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Impact of temperature on short-range charge ordering in LiFePO₄/FePO₄

Hammadi, Souzan; Kullgren, Jolla; Wolf, Matthew J.; Brandell, Daniel et al.

Part of Physical Review B, 2024

• DOI for Impact of temperature on short-range charge ordering in LiFePO₄/FePO₄
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Reducing training data needs with minimal multilevel machine learning (M3L)

Heinen, Stefan; Khan, Danish; Falk von Rudorff, Guido; Karandashev, Konstantin et al.

Part of Machine Learning, 2024

• DOI for Reducing training data needs with minimal multilevel machine learning (M3L)
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Low-Carbon-Footprint Plasma-Functionalized Coconut-Coir-Based Porous Carbon as an Efficient and Sustainable Adsorbent

Jayasinghe, Sehan; Munaweera, Imalka; Perera, Chandani; Siriwardena, Dumindu P. et al.

Part of ChemistrySelect, 2024

• DOI for Low-Carbon-Footprint Plasma-Functionalized Coconut-Coir-Based Porous Carbon as an Efficient and Sustainable Adsorbent

Multivalent Cation Transport in Polymer Electrolytes: Reflections on an Old Problem

Jeschull, Fabian; Hub, Cornelius; Kolesnikov, Timofey I.; Sundermann, David et al.

Part of Advanced Energy Materials, 2024

• DOI for Multivalent Cation Transport in Polymer Electrolytes: Reflections on an Old Problem
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Elucidating the development of cooperative anode-biofilm-structures

Klein, Edina; Wurst, René; Rehnlund, David; Gescher, Johannes

Part of Biofilm, 2024

• DOI for Elucidating the development of cooperative anode-biofilm-structures
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The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations

Kozdra, Melania; Brandell, Daniel; Araujo, C. Moyses; Mace, Amber

Part of Physical Chemistry, Chemical Physics - PCCP, p. 6216-6227, 2024

• DOI for The sensitive aspects of modelling polymer-ceramic composite solid-state electrolytes using molecular dynamics simulations
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Aging mechanisms of NMC811/Si-Graphite Li-ion batteries

Laakso, Ekaterina; Efimova, Sofya; Colalongo, Mattia; Kauranen, Pertti et al.

Part of Journal of Power Sources, 2024

• DOI for Aging mechanisms of NMC811/Si-Graphite Li-ion batteries
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An Analysis of Vehicle-to-Grid in Sweden Using MATLAB/Simulink

Leijon, Jennifer; Santos Döhler, Jéssica; Hjalmarsson, Johannes; Brandell, Daniel et al.

Part of World Electric Vehicle Journal, p. 153-153, 2024

• DOI for An Analysis of Vehicle-to-Grid in Sweden Using MATLAB/Simulink
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Unveiling Reaction Pathways of Ethylene Carbonate and Vinylene Carbonate in Li-ion Batteries

Lundström, Robin; Gogoi, Neeha; Melin, Tim; Berg, Erik J.

Part of The Journal of Physical Chemistry C, p. 8147-8153, 2024

• DOI for Unveiling Reaction Pathways of Ethylene Carbonate and Vinylene Carbonate in Li-ion Batteries
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Fundamental Understanding and Quantification of Capacity Losses Involving the Negative Electrode in Sodium-Ion Batteries

Ma, Le Anh; Buckel, Alexander; Hofmann, Andreas; Nyholm, Leif et al.

Part of Advanced Science, 2024

• DOI for Fundamental Understanding and Quantification of Capacity Losses Involving the Negative Electrode in Sodium-Ion Batteries
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Limitations of polyacrylic acid binders when employed in thick LNMO Li-ion battery electrodes

Mathew, Alma; van Ekeren, Wessel; Andersson, Rassmus; Lacey, Matthew et al.

Part of Journal of the Electrochemical Society, 2024

• DOI for Limitations of polyacrylic acid binders when employed in thick LNMO Li-ion battery electrodes
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Elucidating the reduction mechanism of Lithium bis(oxalato)borate

Melin, Tim; Lundström, Robin; Berg, Erik J.

Part of The Journal of Physical Chemistry Letters, p. 2537-2541, 2024

• DOI for Elucidating the reduction mechanism of Lithium bis(oxalato)borate
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The Role of Oxygen in Automotive Grade Lithium-Ion Battery Cathodes: An Atomistic Survey of Ageing

Mikheenkova, Anastasiia; Mukherjee, Soham; Hirsbrunner, Moritz; Törnblom, Pontus et al.

Part of Journal of Materials Chemistry A, p. 2465-2478, 2024

• DOI for The Role of Oxygen in Automotive Grade Lithium-Ion Battery Cathodes: An Atomistic Survey of Ageing
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Visualizing ageing-induced heterogeneity within large prismatic lithium-ion batteries for electric cars using diffraction radiography

Mikheenkova, Anastasiia; Schökel, Alexander; Smith, Alexander J.; Ahmed, Istaq et al.

Part of Journal of Power Sources, 2024

• DOI for Visualizing ageing-induced heterogeneity within large prismatic lithium-ion batteries for electric cars using diffraction radiography
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Understanding Lithium-Ion Conductivity in NASICON-Type Polymer-in-Ceramic Composite Electrolytes

Nkosi, Funeka P.; Cuevas, Ignacio; Valvo, Mario; Mindemark, Jonas et al.

Part of ACS Applied Energy Materials, p. 4609-4619, 2024

• DOI for Understanding Lithium-Ion Conductivity in NASICON-Type Polymer-in-Ceramic Composite Electrolytes
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Tailoring the Photophysical Properties of a Homoleptic Iron(II) Tetra N-Heterocyclic Carbene Complex by Attaching an Imidazolium Group to the (C^∧N^∧C) Pincer Ligand-A Comparative Study

Prakash, Om; Lindh, Linnea; Gupta, Arvind Kumar; Hoang Hai, Yen Tran et al.

Part of Inorganic Chemistry, p. 2909-2918, 2024

• DOI for Tailoring the Photophysical Properties of a Homoleptic Iron(II) Tetra N-Heterocyclic Carbene Complex by Attaching an Imidazolium Group to the (C^∧N^∧C) Pincer Ligand-A Comparative Study
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A Simple Electron-Density Based Force Field Model for High-Energy Interactions between Atoms and Molecules

Romero, José; Limão-Vieira, Paulo; Hermansson, Kersti; Probst, Michael

Part of Journal of Physical Chemistry A, p. 1163-1172, 2024

• DOI for A Simple Electron-Density Based Force Field Model for High-Energy Interactions between Atoms and Molecules
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Gas evolution in large-format automotive lithium-ion battery during formation: Effect of cell size and temperature

Scharf, Janik; von Lueders, Christian; Matysik, Frank-Michael; Misiewicz, Casimir et al.

Part of Journal of Power Sources, 2024

• DOI for Gas evolution in large-format automotive lithium-ion battery during formation: Effect of cell size and temperature
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Revealing the Structural Evolution of Electrode/Electrolyte Interphase Formation during Magnesium Plating and Stripping with operando EQCM-D

Schick, Benjamin W.; Hou, Xu; Vanoppen, Viktor; Uhl, Matthias et al.

Part of ChemSusChem, 2024

• DOI for Revealing the Structural Evolution of Electrode/Electrolyte Interphase Formation during Magnesium Plating and Stripping with operando EQCM-D
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A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures

Sethio, Daniel; Azzopardi, Emily; Fdez. Galván, Ignacio; Lindh, Roland

Part of Journal of Physical Chemistry A, p. 2472-2486, 2024

• DOI for A Story of Three Levels of Sophistication in SCF/KS-DFT Orbital Optimization Procedures
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Bio-based anode material production for lithium–ion batteries through catalytic graphitization of biochar: the deployment of hybrid catalysts

Shi, Ziyi; Jin, Yanghao; Han, Tong; Yang, Hanmin et al.

Part of Scientific Reports, 2024

• DOI for Bio-based anode material production for lithium–ion batteries through catalytic graphitization of biochar: the deployment of hybrid catalysts
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Fabricating high-purity graphite disk electrodes as a cost-effective alternative in fundamental electrochemistry research

Spallacci, Claudia; Görlin, Mikaela; Kumar, Amol; D'Amario, Luca et al.

Part of Scientific Reports, 2024

• DOI for Fabricating high-purity graphite disk electrodes as a cost-effective alternative in fundamental electrochemistry research
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Facile fabrication of AgBr/HCCN hybrids with Z-scheme heterojunction for efficient photocatalytic hydrogen evolution

Sun, Wenhao; Ahmed, Taha; Elbouazzaoui, Kenza; Edvinsson, Tomas et al.

Part of Applied Surface Science, 2024

• DOI for Facile fabrication of AgBr/HCCN hybrids with Z-scheme heterojunction for efficient photocatalytic hydrogen evolution
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Treatment of carbon electrodes with Ti₃C₂T_x MXene coating and thermal method for vanadium redox flow batteries: a comparative study

Teenakul, Kavin; Alem, Sayed Ali Ahmad; Gond, Ritambhara; Thakur, Anupma et al.

Part of RSC Advances, p. 12807-12816, 2024

• DOI for Treatment of carbon electrodes with Ti₃C₂T_x MXene coating and thermal method for vanadium redox flow batteries: a comparative study
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Elucidating the Lithiation Process in Fe_3−δO₄ Nanoparticles by Correlating Magnetic and Structural Properties

Ulusoy, Seda; Feygenson, Mikhail; Thersleff, Thomas; Uusimaeki, Toni et al.

Part of ACS Applied Materials and Interfaces, p. 14799-14808, 2024

• DOI for Elucidating the Lithiation Process in Fe_3−δO₄ Nanoparticles by Correlating Magnetic and Structural Properties
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Spatially and Chemically Resolved Degradation of Fluorine-Free Electrolyte on Silicon/Graphite Surfaces

Weng, Yi-Chen; Andersson, Rassmus; Lee, Ming-Tao; Mindemark, Jonas et al.

Part of Journal of the Electrochemical Society, 2024

• DOI for Spatially and Chemically Resolved Degradation of Fluorine-Free Electrolyte on Silicon/Graphite Surfaces
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Uncertainties in the use of oxygen consumption calorimetry for heat release measurements in lithium-ion battery fires

Willstrand, Ola; Pushp, Mohit; Ingason, Haukur; Brandell, Daniel

Part of Fire safety journal, 2024

• DOI for Uncertainties in the use of oxygen consumption calorimetry for heat release measurements in lithium-ion battery fires
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Carbon-negative valorization of biomass waste into affordable green hydrogen and battery anodes

Yang, Hanmin; Nurdiawati, Anissa; Gond, Ritambhara; Chen, Shiwei et al.

Part of International journal of hydrogen energy, p. 459-471, 2024

• DOI for Carbon-negative valorization of biomass waste into affordable green hydrogen and battery anodes
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Distributed electrified heating for efficient hydrogen production

Yang, Hanmin; Zaini, Ilman Nuran; Pan, Ruming; Jin, Yanghao et al.

Part of Nature Communications, 2024

• DOI for Distributed electrified heating for efficient hydrogen production
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A cost-effective alternative to accelerating rate calorimetry: Analyzing thermal runaways of lithium-ion batteries through thermocouples

Yang, Yang; Raymand, David; Brandell, Daniel

Part of Journal of Power Sources, 2024

• DOI for A cost-effective alternative to accelerating rate calorimetry: Analyzing thermal runaways of lithium-ion batteries through thermocouples
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Reversible Hydration Enabling High-Rate Aqueous Li-Ion Batteries

Zhang, Leiting; Kühling, Franziska; Mattsson, Agnes-Matilda; Knijff, Lisanne et al.

Part of ACS Energy Letters, p. 959-966, 2024

• DOI for Reversible Hydration Enabling High-Rate Aqueous Li-Ion Batteries
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First-principles calculations of defects and electron-phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes

Zhang, Xie; Turiansky, Mark E.; Razinkovas, Lukas; Maciaszek, Marek et al.

Part of Journal of Applied Physics, 2024

• DOI for First-principles calculations of defects and electron-phonon interactions: Seminal contributions of Audrius Alkauskas to the understanding of recombination processes
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