Strukturkemi

Electronic Response and Charge Inversion at Polarized Gold Electrode

Andersson, Linnéa; Sprik, Michiel; Hutter, Jurg; Zhang, Chao

Ingår i Angewandte Chemie International Edition, 2025

• DOI för Electronic Response and Charge Inversion at Polarized Gold Electrode
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Molybdenum titanium carbide (Mo₂TiC₂T_x) MXene coated carbon electrodes for vanadium redox flow batteries

Botling, Emil; Gond, Ritambhara; Thakur, Anupma; Anasori, Babak et al.

Ingår i RSC Advances, s. 13744-13752, 2025

• DOI för Molybdenum titanium carbide (Mo₂TiC₂T_x) MXene coated carbon electrodes for vanadium redox flow batteries
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Ion-pairing: A Bygone Treatment of Electrolyte Solutions?

Colbin, Simon; Shao, Yunqi; Younesi, Reza

Ingår i Batteries & Supercaps, 2025

• DOI för Ion-pairing: A Bygone Treatment of Electrolyte Solutions?
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Boron Surface Treatment of Li₇La₃Zr₂O₁₂ Enabling Solid Composite Electrolytes for Li-Metal Battery Applications

Cuevas, Ignacio; Elbouazzaoui, Kenza; Valvo, Mario; Mindemark, Jonas et al.

Ingår i ChemSusChem, 2025

• DOI för Boron Surface Treatment of Li₇La₃Zr₂O₁₂ Enabling Solid Composite Electrolytes for Li-Metal Battery Applications
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Interfacial Structure and Reactions in Li_6.7Al_0.3La₃Zr₂O₁₂-Doped Polycarbonate-Based Composite Polymer Electrolytes

Elbouazzaoui, Kenza; Andersson, Edvin K. W.; Weng, Yi-Chen; Friesen, Daniel et al.

Ingår i ACS Applied Polymer Materials, s. 3112-3121, 2025

• DOI för Interfacial Structure and Reactions in Li_6.7Al_0.3La₃Zr₂O₁₂-Doped Polycarbonate-Based Composite Polymer Electrolytes
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Unveiling chemomechanical degradation in aqueous batteries with online acoustic emission sensing

Espinoza Ramos, Inti; Guo, Ziyin; Clulow, Rebecca; Su, Boyang et al.

Ingår i Materials Today Energy, 2025

• DOI för Unveiling chemomechanical degradation in aqueous batteries with online acoustic emission sensing
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O3- vs P2-type Nax(Ni,Zn,Mn,Ti)O2 layered oxides: Comparative study on electrode-electrolyte reactivity and structural stability for cycling performance

Forero-Saboya, Juan; Zhou, Yue; Browne, Stephen; Moiseev, Ivan A. et al.

Ingår i Energy Storage Materials, s. 104423-104423, 2025

• DOI för O3- vs P2-type Nax(Ni,Zn,Mn,Ti)O2 layered oxides: Comparative study on electrode-electrolyte reactivity and structural stability for cycling performance

Achieving High‐Voltage Stability in Li‐Rich Ni‐Rich Oxides with Local W/Ni(Li) Superstructure

Gao, Xu; Li, Biao; Rousse, Gwenaëlle; Morozov, Anatolii V. et al.

Ingår i Advanced Energy Materials, 2025

• DOI för Achieving High‐Voltage Stability in Li‐Rich Ni‐Rich Oxides with Local W/Ni(Li) Superstructure
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Design of thermal hysteresis in nonstoichiometric Fe₂P-type alloys with giant magnetocaloric effect

Ghorai, Sagar; Clulow, Rebecca; Cedervall, Johan; Huang, Shuo et al.

Ingår i Physical Review B, 2025

• DOI för Design of thermal hysteresis in nonstoichiometric Fe₂P-type alloys with giant magnetocaloric effect
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Exploring atmospheric plasma spraying as a pathway to fabricate solid-state battery constituents

Gopal, Vasanth; Clovis, Killian; Bjorklund, Stefan; Balapure, Aniket et al.

Ingår i Surface & Coatings Technology, 2025

• DOI för Exploring atmospheric plasma spraying as a pathway to fabricate solid-state battery constituents
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Methodology for precise measurement of ion transport properties of semi-solid polymer electrolytes

Grill, Jonas; Ngulube, Qaphelani; Mindemark, Jonas; Popovic-Neuber, Jelena

Ingår i Electrochimica Acta, 2025

• DOI för Methodology for precise measurement of ion transport properties of semi-solid polymer electrolytes
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To Hop or Not to Hop – Unveiling Different Modes of Ion Transport in Solid Polymer Electrolytes Through Molecular Dynamics Simulations

Gudla, Harish; Hockmann, Anne; Brandell, Daniel; Mindemark, Jonas

Ingår i ACS Applied Polymer Materials, 2025

• DOI för To Hop or Not to Hop – Unveiling Different Modes of Ion Transport in Solid Polymer Electrolytes Through Molecular Dynamics Simulations
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Investigation of charge transfer models on the evolution of phases in lithium iron phosphate batteries using phase-field simulations

Hammadi, Souzan; Broqvist, Peter; Brandell, Daniel; Ofori-Opoku, Nana

Ingår i Journal of Materials Chemistry A, s. 2849-2858, 2025

• DOI för Investigation of charge transfer models on the evolution of phases in lithium iron phosphate batteries using phase-field simulations
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Continuous Flow Synthesis of Prussian Blue and Analogues Assisted by AI

Hof, Sebastian; Kioumourtzoglou, Stylianos; Nováková, Jaroslava; Görlin, Mikaela et al.

Ingår i Advanced Materials Technologies, 2025

• DOI för Continuous Flow Synthesis of Prussian Blue and Analogues Assisted by AI
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NiO-Ni₂P/C₃N₄ heterostructures with synergistic adsorption-electrocatalysis functions for suppressing polysulfide shuttle effect in lithium sulfur batteries

Hou, Yaolin; Kullgren, Jolla; Han, Lei; Qian, Pengyuan et al.

Ingår i Journal of Colloid and Interface Science, 2025

• DOI för NiO-Ni₂P/C₃N₄ heterostructures with synergistic adsorption-electrocatalysis functions for suppressing polysulfide shuttle effect in lithium sulfur batteries
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Structural and magnetic properties of the 1/1 Sm-Au-Al and Ho-Au-Al quasicrystal approximants

Huang, Yu-Chin; Denoel, Fernand; Thilakan, Karthika K.; Mathieu, Roland et al.

Ingår i Journal of Solid State Chemistry, 2025

• DOI för Structural and magnetic properties of the 1/1 Sm-Au-Al and Ho-Au-Al quasicrystal approximants
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Development of biomass pyrolysis bio-oil as a renewable surface engineering agent for bio-based hard carbon production

Jin, Yanghao; Liu, Huiting; Yang, Hanmin; Thanaweera Achchige, Dumindu Pasan Siriwardena et al.

Ingår i Journal of Power Sources, 2025

• DOI för Development of biomass pyrolysis bio-oil as a renewable surface engineering agent for bio-based hard carbon production

Machine learning-driven predictive modeling of mechanical properties in diverse steels

Kateb, Movaffaq; Safarian, Sahar

Ingår i MACHINE LEARNING WITH APPLICATIONS, 2025

• DOI för Machine learning-driven predictive modeling of mechanical properties in diverse steels
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Precursor to quantum criticality in Ce-Au-Al quasicrystal approximants

Khansili, A.; Huang, Yu-Chin; Haussermann, U.; Pay Gómez, Cesar et al.

Ingår i Physical Review Research, 2025

• DOI för Precursor to quantum criticality in Ce-Au-Al quasicrystal approximants
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Quantum critical scaling of specific heat in a quasicrystal

Khansili, A.; Huang, Yu-Chin; Haussermann, U.; Pay Gómez, Cesar et al.

Ingår i Physical Review Research, 2025

• DOI för Quantum critical scaling of specific heat in a quasicrystal
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Impact of mass transport on meniscus electrochemistry determined by time-resolved operando X-ray photoelectron spectroscopy

Krizan, Alenka; Ericson, Tove; King, Laura; Liu, Qianhui et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 7456-7466, 2025

• DOI för Impact of mass transport on meniscus electrochemistry determined by time-resolved operando X-ray photoelectron spectroscopy
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Polymeric Ionic Liquid-Enabled In Situ Protection of Li Anodes for High-Performance Li-O₂ Batteries

Li, Dan; Chen, Qian; Li, Rui; Hou, Yaolin et al.

Ingår i ChemSusChem, 2025

• DOI för Polymeric Ionic Liquid-Enabled In Situ Protection of Li Anodes for High-Performance Li-O₂ Batteries
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Design Strategy for Small‐Molecule Organic Cathodes: Regulated Active Groups Enable High Capacity and Voltage in Aqueous and Seawater Aluminium ion Batteries

Li, Hongbao; Cao, Mengge; Wang, Rui; Xiong, Peng et al.

Ingår i Angewandte Chemie International Edition, 2025

• DOI för Design Strategy for Small‐Molecule Organic Cathodes: Regulated Active Groups Enable High Capacity and Voltage in Aqueous and Seawater Aluminium ion Batteries

PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems

Li, Jichen; Knijff, Lisanne; Zhang, Zhan-Yun; Andersson, Linnéa et al.

Ingår i Journal of Chemical Theory and Computation, s. 1382-1395, 2025

• DOI för PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems
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Formation and Evolution of the Solid Electrolyte Interphase on Silicon Electrodes from Fluorine-Free Electrolytes

Lu, Zijie; Patranika, Tamara; Naylor, Andrew J.; Mindemark, Jonas et al.

Ingår i Small, 2025

• DOI för Formation and Evolution of the Solid Electrolyte Interphase on Silicon Electrodes from Fluorine-Free Electrolytes
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An extensive investigation of structural, linear, and ultrafast third-order nonlinear optical properties of a novel trimethoxy anthracene chalcone: Experimental and DFT studies

Maidur, Shivaraj R.; Ekbote, Anusha N.; Sharon, V. Vadhana; Rajkumar, M. Ambrose. et al.

Ingår i Optical materials (Amsterdam), 2025

• DOI för An extensive investigation of structural, linear, and ultrafast third-order nonlinear optical properties of a novel trimethoxy anthracene chalcone: Experimental and DFT studies

Engineering Hard Ferrite Composites by Combining Nanostructuring and Al³⁺ Substitution: from Nano to Dense Bulk Magnets

Maltoni, Pierfrancesco; Barucca, Gianni; Rutkowski, Bogdan; Ivanov, Sergey A. et al.

Ingår i Acta Materialia, 2025

• DOI för Engineering Hard Ferrite Composites by Combining Nanostructuring and Al³⁺ Substitution: from Nano to Dense Bulk Magnets
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On the Reversibility of Sustainable Symmetric Aqueous Organic Redox Flow Batteries

Mardi, Saeed; Ail, Ujwala; Vagin, Mikhail; Phopase, Jaywant et al.

Ingår i Advanced Energy & Sustainability Research, 2025

• DOI för On the Reversibility of Sustainable Symmetric Aqueous Organic Redox Flow Batteries
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Facile one-step fabrication of Li₄Ti₅O₁₂ coatings by suspension plasma spraying

Mathiyalagan, Sribalaji; Björklund, Stefan; Storm, Sandra Johansson; Salian, Girish et al.

Ingår i Materials research bulletin, 2025

• DOI för Facile one-step fabrication of Li₄Ti₅O₁₂ coatings by suspension plasma spraying
• Ladda ner fulltext (pdf) av Facile one-step fabrication of Li₄Ti₅O₁₂ coatings by suspension plasma spraying

Synthesis of fullerite (100) through epitaxy on a complex intermetallic surface

Mbajoun, Wilfried Bajoun; Huang, Yu-Chin; Gebresenbut, Girma Hailu; Pay Gómez, Cesar et al.

Ingår i Applied Surface Science, 2025

• DOI för Synthesis of fullerite (100) through epitaxy on a complex intermetallic surface

Make it flow from solid to liquid: Redox-active electrofluids for intrinsically stretchable batteries

Mohammadi, Mohsen; Mardi, Saeed; Phopase, Jaywant; Wentz, Filippa et al.

Ingår i Science Advances, 2025

• DOI för Make it flow from solid to liquid: Redox-active electrofluids for intrinsically stretchable batteries
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Size Does Not Matter, Attraction Does: A Computational Study of Doped LiNiO₂

Monsees, Frederike; Broqvist, Peter; Diddens, Diddo; Heuer, Andreas

Ingår i Journal of the Electrochemical Society, 2025

• DOI för Size Does Not Matter, Attraction Does: A Computational Study of Doped LiNiO₂
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Enhancing the stability and performance of Ni-rich cathode materials through Ta doping: a combined theoretical and experimental study

Monsees, Frederike; Misiewicz, Casimir; Dalkilic, Mert; Diddens, Diddo et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 834-843, 2025

• DOI för Enhancing the stability and performance of Ni-rich cathode materials through Ta doping: a combined theoretical and experimental study

Prediction of high-T_c superconductivity in two corrugated graphene sheets with intercalated CeH₉ molecules

Rastkhadiv, M. A.; Pazoki, Meysam

Ingår i Journal of Physics, 2025

• DOI för Prediction of high-T_c superconductivity in two corrugated graphene sheets with intercalated CeH₉ molecules

Kinetics study of the dissolution of black mass material using oxalic acid as a leaching agent

Rouquette, Lea M. J.; Altenschmidt, Laura; Culina, Matea; Brant, William R. et al.

Ingår i Journal of Hazardous Materials Advances, 2025

• DOI för Kinetics study of the dissolution of black mass material using oxalic acid as a leaching agent
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Accurate classification of materials with elEmBERT: Element embeddings for chemical benchmarks

Shermukhamedov, Shokirbek; Mamurjonova, Dilorom; Probst, Michael

Ingår i APL Machine Learning, 2025

• DOI för Accurate classification of materials with elEmBERT: Element embeddings for chemical benchmarks
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Exceptional high-temperature corrosion resistance of multi-component alloys via modulating Al and Nb

Shi, Hao; Zhang, Xukai; Liu, Chang; Gong, Xing et al.

Ingår i Corrosion Science, 2025

• DOI för Exceptional high-temperature corrosion resistance of multi-component alloys via modulating Al and Nb
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Operando Characterization of Fe in Doped Ni_x (Fe_1-x )O_yH_z Catalysts for Electrochemical Oxygen Evolution

Stenlid, Joakim Halldin; Görlin, Mikaela; Diaz-Morales, Oscar; Davies, Bernadette et al.

Ingår i Journal of the American Chemical Society, s. 4120-4134, 2025

• DOI för Operando Characterization of Fe in Doped Ni_x (Fe_1-x )O_yH_z Catalysts for Electrochemical Oxygen Evolution
• Ladda ner fulltext (pdf) av Operando Characterization of Fe in Doped Ni_x (Fe_1-x )O_yH_z Catalysts for Electrochemical Oxygen Evolution

The Dual Use of SAM Molecules for Efficient and Stable Perovskite Solar Cells

Suo, Jiajia; Yang, Bowen; Bogachuk, Dmitry; Boschloo, Gerrit et al.

Ingår i Advanced Energy Materials, 2025

• DOI för The Dual Use of SAM Molecules for Efficient and Stable Perovskite Solar Cells
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Performance-optimized diatom-SiOx anodes for Li-ion batteries by preserving the nanostructured SiO2 shells of diatom microalgae and tailoring oxygen content

Thangaian, Kesavan; Ericson, Tove; Vullum, Per Erik; Alonso-Sanchez, Pedro et al.

Ingår i Journal of Power Sources, 2025

• DOI för Performance-optimized diatom-SiOx anodes for Li-ion batteries by preserving the nanostructured SiO2 shells of diatom microalgae and tailoring oxygen content
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Advances in the social construction of energy management and energy efficiency in industry

Thollander, Patrik; Andrei, Mariana; Jalo, Noor; Rohdin, Patrik et al.

Ingår i Nature Communications, 2025

• DOI för Advances in the social construction of energy management and energy efficiency in industry
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Filling data analysis gaps in time-resolved crystallography by machine learning

Trujillo, Justin; Fung, Russell; Shankar, Madan Kumar; Schwander, Peter et al.

Ingår i Structural Dynamics, 2025

• DOI för Filling data analysis gaps in time-resolved crystallography by machine learning
• Ladda ner fulltext (pdf) av Filling data analysis gaps in time-resolved crystallography by machine learning

Investigation of Electrolyte Salts in Non‐Flammable Triethyl Phosphate for Sodium‐Ion Batteries

van Ekeren, Wessel; Dettmann, Lasse; Tesfamhret, Yonas; Naylor, Andrew J. et al.

Ingår i Batteries & Supercaps, 2025

• DOI för Investigation of Electrolyte Salts in Non‐Flammable Triethyl Phosphate for Sodium‐Ion Batteries
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The dynamics of plasmon-induced hot carrier creation in colloidal gold

Wach, Anna; Bericat Vadell, Robert; Bacellar, Camila; Cirelli, Claudio et al.

Ingår i Nature Communications, 2025

• DOI för The dynamics of plasmon-induced hot carrier creation in colloidal gold
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Entropy tuning and artificial CEI synergistically enhance the stability and kinetics of P2-type layered oxide cathode for high-voltage sodium-ion batteries

Wang, Yingxinjie; Zhang, Ziying; Tang, Kejian; Li, Yongchun et al.

Ingår i Journal of Energy Chemistry, s. 241-251, 2025

• DOI för Entropy tuning and artificial CEI synergistically enhance the stability and kinetics of P2-type layered oxide cathode for high-voltage sodium-ion batteries

Effect of additives on the high-temperature performance of a sodium bis(oxalato)borate in trimethyl phosphate electrolyte in sodium-ion batteries

Welch, Jonas; van Ekeren, Wessel W.A.; Mindemark, Jonas; Younesi, Reza

Ingår i Communications Chemistry, 2025

• DOI för Effect of additives on the high-temperature performance of a sodium bis(oxalato)borate in trimethyl phosphate electrolyte in sodium-ion batteries
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Lab-scale versus industrial-scale thermal runaway tests for lithium-ion battery cells

Willstrand, Ola; Yang, Yang; Andersson, Petra; Brandell, Daniel

Ingår i Journal of Energy Storage, 2025

• DOI för Lab-scale versus industrial-scale thermal runaway tests for lithium-ion battery cells
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Insights into the surface of mesoporous nickel oxide and its interaction with oxygen and water

Wrede, Sina; Liu, Qianhui; Chen, Libo; D'Amario, Luca et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 12762-12773, 2025

• DOI för Insights into the surface of mesoporous nickel oxide and its interaction with oxygen and water
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Reactivity of Carbonyl-Containing Solid Polymer Electrolytes in Lithium-Metal Batteries from First-Principles Molecular Dynamics

Wu, Liang-Ting; Mindemark, Jonas; Brandell, Daniel; Jiang, Jyh-Chiang

Ingår i ACS Applied Polymer Materials, s. 3636-3646, 2025

• DOI för Reactivity of Carbonyl-Containing Solid Polymer Electrolytes in Lithium-Metal Batteries from First-Principles Molecular Dynamics
• Ladda ner fulltext (pdf) av Reactivity of Carbonyl-Containing Solid Polymer Electrolytes in Lithium-Metal Batteries from First-Principles Molecular Dynamics

Semi-transparent photovoltaics

Xu, Chunyu; Chen, Yifan; Zhao, Zijin; Yang, Bowen et al.

Ingår i Energy & Environmental Science, s. 2095-2135, 2025

• DOI för Semi-transparent photovoltaics