Structural Chemistry

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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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

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

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

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, p. 116542-116542, 2024

• DOI for Implementation of highly crystalline polyketones as solid polymer electrolytes in high-temperature lithium metal batteries

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

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

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

• DOI for Charting the course to solid-state dual-ion batteries
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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

• DOI for Magnetic property changes of NdGa upon hydrogen absorption
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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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Ion-pairing: A Bygone Treatment of Electrolyte Solutions?

Colbin, Simon; Shao, Yunqi; Younesi, Reza

Part of Batteries & Supercaps, 2024

• DOI for Ion-pairing: A Bygone Treatment of Electrolyte Solutions?

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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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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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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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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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

• DOI for Base-driven Ring-Opening Reactions of Vinylene Carbonate
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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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Salt Effects on the Mechanical Properties of Ionic Conductive Polymer: A Molecular Dynamics Study

Gudla, Harish; Edström, Kristina; Zhang, Chao

Part of ACS Materials Science Au, p. 300-307, 2024

• DOI for Salt Effects on the Mechanical Properties of Ionic Conductive Polymer: A Molecular Dynamics Study
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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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Exploring the Failure Mechanisms and Embrittlement of Liquid Metal-Coated Zinc Anodes in Aqueous Zn-Ion Batteries

Görlin, Mikaela; Le Ruyet, Ronan; Naylor, Andrew J.; Valvo, Mario

Part of ACS Applied Energy Materials, p. 6548-6559, 2024

• DOI for Exploring the Failure Mechanisms and Embrittlement of Liquid Metal-Coated Zinc Anodes in Aqueous Zn-Ion Batteries
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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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Operando Investigation of Silicon Anodes During Electrochemical Cycling in Li-ion Batteries

Hapuarachchi, Sashini N. S.; Jones, Michael W. M.; Wasalathilake, Kimal C.; Marriam, Ifra et al.

Part of Small Methods, 2024

• DOI for Operando Investigation of Silicon Anodes During Electrochemical Cycling in Li-ion Batteries
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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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Effects of partial isovalent substitution of V with (Ti,Fe) on redox reactivity in Li₂VO₂F battery cathodes

Hirsbrunner, Moritz; Källquist, Ida; Kullgren, Jolla; Rensmo, Håkan et al.

Part of Journal of Materials Chemistry A, p. 13852-13859, 2024

• DOI for Effects of partial isovalent substitution of V with (Ti,Fe) on redox reactivity in Li₂VO₂F battery cathodes
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Vibrationally-resolved RIXS reveals OH-group formation in oxygen redox active Li-ion battery cathodes

Hirsbrunner, Moritz; Mikheenkova, Anastasiia; Törnblom, Pontus; House, Robert A. et al.

Part of Physical Chemistry, Chemical Physics - PCCP, p. 19460-19468, 2024

• DOI for Vibrationally-resolved RIXS reveals OH-group formation in oxygen redox active Li-ion battery cathodes
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Fully exploited imidazolium bromide for simultaneous resolution of cathode and anode challenges in zinc-bromine batteries

Hu, Linyu; Dai, Chunlong; Zhu, Yudong; Hou, Xu et al.

Part of Energy & Environmental Science, p. 5552-5562, 2024

• DOI for Fully exploited imidazolium bromide for simultaneous resolution of cathode and anode challenges in zinc-bromine batteries

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