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RESEARCH PAPER · Journal of The Electrochemical Society · 2022

Lithiation and Magnesiation Mechanism of VOCl: First-Principles Moleculardynamics Simulation

Danmei Gao, Jingren Dong, Yuan Yuan, Renchao Xiao, Yuping Liu, Danmei Yu, Changguo Chen, Aitao Tang, Dingfei Zhang, Fusheng Pan

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Lithiation and Magnesiation Mechanism of VOCl: First-Principles Moleculardynamics SimulationOriginalLattice distortions and magnetic interactions in single-layer VOCl6NiAs-type vanadium sulfides: Topological surface and abundant electroactivity as a bi-functional material in Mg/Li batteries3Decoding Lithium-Ion Dynamics: Unveiling the Role of Concentration and Local Environments in Spinel Lixmn2o40Tuning Magnetism Through Stoichiometric Potassium Intercalation into VOCl0First-principles investigation of FeP@Graphene as anode material for sodium-ion batteries3

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  1. Lattice distortions and magnetic interactions in single-layer VOCl

    Physical Review Materials · 2023-07-28

    Mohammad Amirabbasi, Marcus Ekholm

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  2. NiAs-type vanadium sulfides: Topological surface and abundant electroactivity as a bi-functional material in Mg/Li batteries

    Applied Surface Science · 2023-11-10

    Jinming Pan, Danmei Gao, Yuping Liu, Ming Nie, Bo Shang, Changguo Chen, Jingfeng Wang, Guangsheng Huang, Dingfei Zhang, Fusheng Pan

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  3. Decoding Lithium-Ion Dynamics: Unveiling the Role of Concentration and Local Environments in Spinel Lixmn2o4

    SSRN Electronic Journal · 2024-01-01

    Yingxin Duan, Xiao Liu, Xuhong Wu, Zhi Mao Yang, Ruiping Liu, Xue Lin, Fenglian Li, Li-Chun Xu

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  4. Tuning Magnetism Through Stoichiometric Potassium Intercalation into VOCl

    Journal of the American Chemical Society · 2025-09-04

    Jiaze Xie, Brahim Marfoua, Brianna L. Hoff, Jaime M. Moya, S. Lee, Mohammad Amirabbasi, Marcus Ekholm, Leslie Mareike Schoop

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  5. First-principles investigation of FeP@Graphene as anode material for sodium-ion batteries

    Applied Surface Science · 2025-11-05

    Qi En Hong, Mohanapriya Subramani, Chieh‐Ming Hsieh, Bor Kae Chang

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