Search Results - "first-principles computing"

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  1. 1

    Crystal Structure and Preparation of Li<sub>7</sub>La<sub>3</sub>Zr<sub>2</sub>O<sub>12</sub> (LLZO) Solid-State Electrolyte and Doping Impacts on the Conductivity: An Overview by Md Mozammal Raju, Fadhilah Altayran, Michael Johnson, Danling Wang, Qifeng Zhang

    Published in Electrochem (2021-07-01)
    Subjects: “…first-principles computing…”
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    Article


  2. 2

    Spinristor: A Spin‐Filtering Memristor by Adam Jaroš, Mahdi Sasar, Lucie Tučková, Esmaeil Farajpour Bonab, Zahra Badri, Michal Straka, Cina Foroutan‐Nejad

    Published in Advanced Electronic Materials (2023-08-01)
    Subjects: “…first‐principles computations…”
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    Article


  3. 3

    Application of First Principles Computations Based on Density Functional Theory (DFT) in Cathode Materials of Sodium-Ion Batteries by Yuqiu Wang, Binkai Yu, Jin Xiao, Limin Zhou, Mingzhe Chen

    Published in Batteries (2023-01-01)
    Subjects: “…first-principles computations…”
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    Article


  4. 4

    Interaction mechanism between metal hydrides and energetic compounds: an extensive literature survey by Yang Zhang, Fusheng Yang, Fengqi Zhao, Siyu Xu

    Published in FirePhysChem (2022-12-01)
    Subjects: “…First principle computation…”
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  5. 5

    Effect of Ni Doping on the Embrittlement of Liquid Zinc at Σ5 Fe Austenite Grain Boundary by Chengfa Ding, Wangjun Peng, Zheng Ma, Yan Zhao, Huaxiang Teng, Guangxin Wu

    Published in Metals (2021-12-01)
    Subjects: “…first-principles computational tensile test…”
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    Article


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