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59 ta ish

Ish: Rational design of two-dimensional BN biphenylene monolayer as an efficient anode material for Ca-ion batteries: A theoretical study

  1. A climbing image nudged elastic band method for finding saddle points and minimum energy paths

    Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson

    Maqola200023 iqtibos
    ABI

  2. Biphenylene network: A nonbenzenoid carbon allotrope

    Qitang Fan, Linghao Yan, Matthias W. Tripp +8

    Maqola202111 iqtibos
    ABI

  3. Ab initio investigation of hydrogenation of (BN)12

    Jianfeng Jia, Hong Wang, Xiao-Qin Pei +1

    Maqola20067 iqtibos
    ABI

  4. A first-principles study on the effect of oxygen content on the structural and electronic properties of silicon suboxide as anode material for lithium ion batteries

    Obaidur Rahaman, Bohayra Mortazavi, Timon Rabczuk

    Maqola20167 iqtibos
    ABI

  5. Leak-Proof Reversible Thermochromic Microcapsule Phase Change Materials with High Latent Thermal Storage for Thermal Management

    Yongcun Zhou, Rui Duan

    Maqola20246 iqtibos
    ABI

  6. Realizing dendrite-free lithium deposition with three-dimensional soft-rigid nanofiber interlayers

    Huijuan Zhao, Guodong Zhao, Fengquan Liu +3

    Maqola20246 iqtibos
    ABI

  7. Irida-graphene as a high-performance anode for sodium batteries

    Nicolas F. Martins, José A.S. Laranjeira, Guilherme S. L. Fabris +2

    Maqola20246 iqtibos
    ABI

  8. Electronic Properties of the Biphenylene Sheet and Its One-Dimensional Derivatives

    Mathew A. Hudspeth, Brandon Whitman, Verónica Barone +1

    Maqola20105 iqtibos
    ABI

  9. Li and Na Diffusion in TiO<sub>2</sub> from Quantum Chemical Theory versus Electrochemical Experiment

    Sten Lunell, Arvids Stashans, Lars Ojamäe +2

    Maqola19975 iqtibos
    ABI

  10. Porous Two-Dimensional Materials for Photocatalytic and Electrocatalytic Applications

    He Wang, Xuan Liu, Ping Niu +3

    MaqolaOchiq kirish20204 iqtibos
    ABI

  11. Hydrogen storage in doped biphenylene based sheets

    Pablo A. Denis, Federico Iribarne

    Maqola20154 iqtibos
    ABI

  12. Porous carbon-based materials for hydrogen storage: advancement and challenges

    Yongde Xia, Zhuxian Yang, Yanqiu Zhu

    Maqola20134 iqtibos
    ABI

  13. Open circuit voltage profile for Li-intercalation in rutile and anatase from first principles

    Marina V. Koudriachova

    Maqola20024 iqtibos
    ABI

  14. Prediction of a new two-dimensional metallic carbon allotrope

    Xinquan Wang, Handong Li, Jian-Tao Wang

    Maqola20124 iqtibos
    ABI

  15. Borophene: A promising anode material offering high specific capacity and high rate capability for lithium-ion batteries

    Haoran Jiang, Ziheng Lu, Maochun Wu +2

    Maqola20164 iqtibos
    ABI

  16. Cointercalation of Mg<sup>2+</sup> Ions into Graphite for Magnesium-Ion Batteries

    Dong‐Min Kim, Sung Chul Jung, Seongmin Ha +5

    Maqola20184 iqtibos
    ABI

  17. Graphite Intercalation by Mg Diamine Complexes

    Wei Xu, Hanyang Zhang, Michael M. Lerner

    Maqola20184 iqtibos
    ABI

  18. DFT-D3 Study of Some Molecular Crystals

    Jonas Moellmann, Stefan Grimme

    Maqola20143 iqtibos
    ABI

  19. Stability and Electronic Properties of Biphenylene Based Functionalized Nanoribbons and Sheets

    Pablo A. Denis

    Maqola20143 iqtibos
    ABI

  20. A MnO<sub>2</sub>/Graphene Oxide/Multi-Walled Carbon Nanotubes-Sulfur Composite with Dual-Efficient Polysulfide Adsorption for Improving Lithium-Sulfur Batteries

    Yong Li, Daixin Ye, Wen Liu +6

    Maqola20163 iqtibos
    ABI

  21. Anchoring effects of S-terminated Ti2C MXene for lithium-sulfur batteries: A first-principles study

    Xiaobiao Liu, Xiaofei Shao, Feng Li +1

    Maqola20183 iqtibos
    ABI

  22. Graphenylene oxide: A new two-dimensional material

    Pablo A. Denis, José A.S. Laranjeira, Guilherme S. L. Fabris +1

    Maqola20233 iqtibos
    ABI

  23. Stability, electronic and optical properties of buckled XO (X = Ge, Cu) graphenylene monolayers: A first-principles study

    Yusuf Zuntu Abdullahi, Sohail Ahmad, Robin Chang Yee Hui

    Maqola20243 iqtibos
    ABI

  24. Heteroelectrocatalyst MoS2@CoS2 modified separator for Li-S battery: Unveiling superior polysulfides conversion and reaction kinetics

    Chuanbao Tu, Ze Zhang, Xingtao Qi +2

    Maqola20243 iqtibos
    ABI

  25. Theoretical prediction of MoN<sub>2</sub> monolayer as a high capacity electrode material for metal ion batteries

    Xiaoming Zhang, Zhiming Yu, Shan-Shan Wang +4

    Maqola20162 iqtibos
    ABI