Structural Chemistry

Electronic Response and Charge Inversion at Polarized Gold Electrode

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

Part of Angewandte Chemie International Edition, 2025

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Ion-pairing: A Bygone Treatment of Electrolyte Solutions?

Colbin, Simon; Shao, Yunqi; Younesi, Reza

Part of Batteries & Supercaps, 2025

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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.

Part of ChemSusChem, 2025

• DOI for 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.

Part of ACS Applied Polymer Materials, p. 3112-3121, 2025

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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.

Part of Surface & Coatings Technology, 2025

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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

Part of Journal of Materials Chemistry A, p. 2849-2858, 2025

• DOI for Investigation of charge transfer models on the evolution of phases in lithium iron phosphate batteries using phase-field simulations
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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.

Part of Journal of Solid State Chemistry, 2025

• DOI for 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.

Part of Journal of Power Sources, 2025

• DOI for 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

Part of MACHINE LEARNING WITH APPLICATIONS, 2025

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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.

Part of Physical Review Research, 2025

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PiNN: Equivariant Neural Network Suite for Modeling Electrochemical Systems

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

Part of Journal of Chemical Theory and Computation, p. 1382-1395, 2025

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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.

Part of Optical materials (Amsterdam), 2025

• DOI for 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.

Part of Acta Materialia, 2025

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

Part of Materials research bulletin, 2025

• DOI for Facile one-step fabrication of Li₄Ti₅O₁₂ coatings by suspension plasma spraying
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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.

Part of Applied Surface Science, 2025

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

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.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 834-843, 2025

• DOI for 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

Part of Journal of Physics, 2025

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

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.

Part of Journal of Power Sources, 2025

• DOI for 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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Filling data analysis gaps in time-resolved crystallography by machine learning

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

Part of Structural Dynamics, 2025

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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.

Part of Nature Communications, 2025

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The entropic origin of the enhancement of liquid diffusion close to a neutral confining surface

Agosta, Lorenzo; Briels, Wim; Hermansson, Kersti; Dzugutov, Mikhail

Part of Journal of Chemical Physics, 2024

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Adsorption of Glycine on TiO₂ in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy

Agosta, Lorenzo; Fiore, Luca; Colozza, Noemi; Pérez-Ropero, Guillermo et al.

Part of Langmuir, p. 12009-12016, 2024

• DOI for Adsorption of Glycine on TiO₂ in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy
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The Influence of Reorientational and Vibrational Dynamics on the Mg²⁺ Conductivity in Mg(BH₄)₂CH₃NH₂

Amdisen, Mads B.; Cheng, Yongqiang; Jalarvo, Niina; Pajerowski, Daniel et al.

Part of Chemistry of Materials, p. 9784-9792, 2024

• DOI for The Influence of Reorientational and Vibrational Dynamics on the Mg²⁺ Conductivity in Mg(BH₄)₂CH₃NH₂
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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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Electrochemical model-based aging-adaptive fast charging of automotive lithium-ion cells

Andersson, Malin; Streb, Moritz; Prathimala, Venu Gopal; Siddiqui, Aamer et al.

Part of Applied Energy, 2024

• DOI for Electrochemical model-based aging-adaptive fast charging of automotive lithium-ion cells
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Influence of Molecular Weight and End Groups on Ion Transport in Weakly and Strongly Coordinating Polymer Electrolytes

Andersson, Rassmus; Emilsson, Samuel; Hernández, Guiomar; Johansson, Mats et al.

Part of ChemElectroChem, 2024

• DOI for Influence of Molecular Weight and End Groups on Ion Transport in Weakly and Strongly Coordinating Polymer Electrolytes
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Implementation of Highly Crystalline Polyketones as Solid Polymer Electrolytes in high-temperature Lithium Metal Batteries

Andersson, Rassmus; Johansson, Isabell L.; Shivakumar, Kilingaru I.; Hernández, Guiomar et al.

Part of Solid State Ionics, 2024

• DOI for Implementation of Highly Crystalline Polyketones as Solid Polymer Electrolytes in high-temperature Lithium Metal Batteries
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Transference Numbers and Ion Coordination Strength for Mg²⁺, Na⁺, and K⁺ in Solid Polymer Electrolytes

Andersson, Rassmus; Mönich, Caroline; Hernández, Guiomar; Schönhoff, Monika et al.

Part of The Journal of Physical Chemistry C, p. 16393-16399, 2024

• DOI for Transference Numbers and Ion Coordination Strength for Mg²⁺, Na⁺, and K⁺ in Solid Polymer Electrolytes
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Charting the course to solid-state dual-ion batteries

Asfaw, Habtom D.; Kotronia, Antonia; Garcia-Araez, Nuria; Edström, Kristina et al.

Part of Carbon Energy, 2024

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An XPS Study of Electrolytes for Li-Ion Batteries in Full Cell LNMO vs Si/Graphite

Azmi, Raheleh; Lindgren, Fredrik; Stokes-Rodriguez, Killian; Buga, Mihaela et al.

Part of ACS Applied Materials and Interfaces, p. 34266-34280, 2024

• DOI for An XPS Study of Electrolytes for Li-Ion Batteries in Full Cell LNMO vs Si/Graphite
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Modeling of Nanomaterials for Supercapacitors: Beyond Carbon Electrodes

Bi, Sheng; Knijff, Lisanne; Lian, Xiliang; van Hees, Alicia et al.

Part of ACS Nano, p. 19931-19949, 2024

• DOI for Modeling of Nanomaterials for Supercapacitors: Beyond Carbon Electrodes
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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

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On the Elusive Crystallography of Lithium-Rich Layered Oxides: Novel Structural Models

Celeste, Arcangelo; Tuccillo, Mariarosaria; Menon, Ashok S.; Brant, William et al.

Part of Small Methods, 2024

• DOI for On the Elusive Crystallography of Lithium-Rich Layered Oxides: Novel Structural Models
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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

Study of degradation mechanisms in aqueous-processed Ni-rich cathodes for enhanced sustainability of batteries

Chen, Heyin; Mattsson, Agnes-Matilda; King, Laura; Liu, Haidong et al.

Part of Journal of Materials Chemistry A, p. 25393-25406, 2024

• DOI for Study of degradation mechanisms in aqueous-processed Ni-rich cathodes for enhanced sustainability of batteries
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An interweaving 3D ion-conductive network binder for high-loading and lean-electrolyte lithium-sulfur batteries

Chen, Jing; Geng, Xin; Wang, Chenyang; Hou, Xu et al.

Part of Journal of Materials Chemistry A, p. 11038-11048, 2024

• DOI for An interweaving 3D ion-conductive network binder for high-loading and lean-electrolyte lithium-sulfur batteries

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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Magnetic frustration and glassiness in an icosahedral i-Tb-Cd quasicrystal

Denoel, Fernand; Joshi, Deep Chandra; Huang, Yu-Kai; Gebresenbut, Girma Hailu et al.

Part of Physical Review B, 2024

• DOI for Magnetic frustration and glassiness in an icosahedral i-Tb-Cd quasicrystal
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Magnetic properties of quenched binary and ternary quasicrystal approximants

Denoel, Fernand; Shiino, Takayuki; Huang, Yu-Chin; Gebresenbut, Girma Hailu et al.

Part of Scientific Reports, 2024

• DOI for Magnetic properties of quenched binary and ternary quasicrystal approximants
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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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Understanding Ion Transport in Alkyl Dicarbonates: An Experimental and Computational Study

Emilsson, Samuel; Albuquerque, Marcelo; Oberg, Pernilla; Brandell, Daniel et al.

Part of ACS Physical Chemistry Au, p. 80-91, 2024

• DOI for Understanding Ion Transport in Alkyl Dicarbonates: An Experimental and Computational Study
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Online acoustic emission sensing of rechargeable batteries: technology, status, and prospects

Espinoza Ramos, Inti; Coric, Amina; Su, Boyang; Zhao, Qi et al.

Part of Journal of Materials Chemistry A, p. 23280-23296, 2024

• DOI for Online acoustic emission sensing of rechargeable batteries: technology, status, and prospects
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Enhanced removal of methylene blue under simulated sunlight over oxygen vacancy-mediated ZnO photocatalysts

Fan, Yixin; Tang, Qian; Wu, Kai; Zhu, Jiefang et al.

Part of Research on chemical intermediates (Print), p. 5167-5182, 2024

• DOI for Enhanced removal of methylene blue under simulated sunlight over oxygen vacancy-mediated ZnO photocatalysts

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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The Origin of Rapid Capacity Loss in 1,1,1‐Trifluoroethyl Methyl Carbonate – Based Lithium‐Ion Battery Electrolytes

Gebert, Florian; Gogoi, Neeha; Siriwardena, Dumindu P.; Naylor, Andrew J.

Part of Advanced Materials Interfaces, 2024

• DOI for The Origin of Rapid Capacity Loss in 1,1,1‐Trifluoroethyl Methyl Carbonate – Based Lithium‐Ion Battery Electrolytes
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Interfacial Decomposition Behaviour of Triethyl Phosphate‐Based Electrolytes for Lithium‐Ion Batteries

Gebert, Florian; Lundström, Robin; van Ekeren, Wessel; Naylor, Andrew J.

Part of Batteries & Supercaps, 2024

• DOI for Interfacial Decomposition Behaviour of Triethyl Phosphate‐Based Electrolytes for Lithium‐Ion Batteries
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