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67 ta ish

Ish: Evaluation of graphene like SiC2 as an electrode material for Ca-ion batteries: A DFT study

  1. A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

    Stefan Grimme, Jens Antony, Stephan Ehrlich +1

    Maqola201057 iqtibos
    ABI

  2. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

    Stefan Grimme

    Maqola200642 iqtibos
    ABI

  3. Reversible calcium alloying enables a practical room-temperature rechargeable calcium-ion battery with a high discharge voltage

    Meng Wang, Chunlei Jiang, Songquan Zhang +3

    Maqola201829 iqtibos
    ABI

  4. Ti<sub>3</sub>C<sub>2</sub> MXene as a High Capacity Electrode Material for Metal (Li, Na, K, Ca) Ion Batteries

    Dequan Er, Junwen Li, Michael Naguib +2

    Maqola20148 iqtibos
    ABI

  5. Sodium-ion batteries: present and future

    Jang‐Yeon Hwang, Seung‐Taek Myung, Yang-Kook Sun

    Sharh maqola20177 iqtibos
    ABI

  6. Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem

    Holger Kruse, Lars Goerigk, Stefan Grimme

    Maqola20127 iqtibos
    ABI

  7. Construction of a novel Fe₂O₃-loaded g-C₃N₄ electrodes for high-energy and sustainable asymmetric hybrid supercapacitors

    Ismail Marouani, Ali B.M. Ali, Zaina Algarni +6

    MaqolaSupercapacitor Materials and FabricationSurfaces and Interfaces20256 iqtibos
    ABI

  8. First-Principles Study of Phosphorene and Graphene Heterostructure as Anode Materials for Rechargeable Li Batteries

    Gencai Guo, Da Wang, Xiaolin Wei +4

    Maqola20156 iqtibos
    ABI

  9. Dynamic diels-alder reaction crosslinked metal-organic framework/poly (ionic liquid) composite solid electrolyte for lithium-metal batteries

    Hongjin Kuang, Haiyang Liao, Zhanzhan Zhang +6

    Maqola20256 iqtibos
    ABI

  10. A Broyden—Fletcher—Goldfarb—Shanno optimization procedure for molecular geometries

    John D. Head, Michael C. Zerner

    Maqola19855 iqtibos
    ABI

  11. Theoretical studies of SiC van der Waals heterostructures as anodes of Li-ion batteries

    Xiaojie He, Anwen Tang, Yi Li +3

    Maqola20215 iqtibos
    ABI

  12. A room-temperature liquid metal-based self-healing anode for lithium-ion batteries with an ultra-long cycle life

    Yingpeng Wu, Lu Huang, Xingkang Huang +7

    Maqola20174 iqtibos
    ABI

  13. Advancements and Challenges in Potassium Ion Batteries: A Comprehensive Review

    Ranjusha Rajagopalan, Yougen Tang, Xiaobo Ji +2

    Sharh maqola20204 iqtibos
    ABI

  14. Screening MXenes for novel anode material of lithium-ion batteries with high capacity and stability: A DFT calculation

    Xiaojun Zhao, Peng Wang, Erfei Lv +5

    Maqola20214 iqtibos
    ABI

  15. Tin-Based Amorphous Oxide: A High-Capacity Lithium-Ion-Storage Material

    Yoshio Idota, Tadahiko Kubota, Akihiro Matsufuji +2

    Maqola19974 iqtibos
    ABI

  16. Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

    Tomáš Bučko, Jürgen Häfner, Sébastien Lebègue∥ +1

    Maqola20103 iqtibos
    ABI

  17. Layered silicon carbide: a novel anode material for lithium ion batteries

    Abdul Majid, Afrinish Fatima, Salah Ud‐Din Khan +1

    Maqola20213 iqtibos
    ABI

  18. Strain Engineering to Improve the Electronic and Photocatalytic Properties of the Inorganic Graphenylene Based on SiC

    Nícolas Martins, José A.S. Laranjeira, Sérgio de Azevedo +1

    Maqola20243 iqtibos
    ABI

  19. A first-principles roadmap and limits to design efficient supercapacitor electrode materials

    Basant A. Ali, Nageh K. Allam

    Maqola20193 iqtibos
    ABI

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

    Haoran Jiang, Ziheng Lu, Maochun Wu +2

    Maqola20163 iqtibos
    ABI

  21. A DFT study on AlN nanotubes and nanosheets as anodes for Mg-ion batteries

    Tiantian Mei, Jianbao Wu, Shuhan Lu +4

    Maqola20213 iqtibos
    ABI

  22. Reversible Calcium Ion Batteries Using a Dehydrated Prussian Blue Analogue Cathode

    Tomohiro Tojo, Yosuke Sugiura, Ryoji Inada +1

    Maqola20163 iqtibos
    ABI

  23. A Comparative First-Principles Study on Sodiation of Silicon, Germanium, and Tin for Sodium-Ion Batteries

    Chia-Yun Chou, Myung‐Suk Lee, Gyeong S. Hwang

    Maqola20153 iqtibos
    ABI

  24. Boron phosphide monolayer as a potential anode material for alkali metal-based batteries

    Haoran Jiang, W. Shyy, Ming Liu +3

    Maqola20163 iqtibos
    ABI

  25. A Novel Potassium‐Ion‐Based Dual‐Ion Battery

    Bifa Ji, Fan Zhang, Xiaohe Song +1

    Maqola20173 iqtibos
    ABI