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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

    Maqola201076 iqtibos
    ABI

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

    Stefan Grimme

    Maqola200658 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

    Maqola201830 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

    MaqolaOchiq kirish201410 iqtibos
    ABI

  5. Sodium-ion batteries: present and future

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

    Sharh maqolaOchiq kirish20179 iqtibos
    ABI

  6. 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 Interfaces20258 iqtibos
    ABI

  7. 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

    Maqola20128 iqtibos
    ABI

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

    John D. Head, Michael C. Zerner

    Maqola19858 iqtibos
    ABI

  9. Exergoeconomic analysis and optimization of a thermal–thermochemical system integrating biomass gasification and geothermal energy for power, methanol, and liquefied hydrogen

    Marwa Ben Slimene, Ali Basem, Mohd Abul Hasan +7

    MaqolaThermochemical Biomass Conversion ProcessesApplied Thermal Engineering20257 iqtibos
    ABI

  10. 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

  11. 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

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

    Xiaojie He, Anwen Tang, Yi Li +3

    Maqola20215 iqtibos
    ABI

  13. 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

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

    Ranjusha Rajagopalan, Yougen Tang, Xiaobo Ji +2

    Sharh maqola20204 iqtibos
    ABI

  15. 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

  16. 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

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

    Tiantian Mei, Jianbao Wu, Shuhan Lu +4

    Maqola20214 iqtibos
    ABI

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

    Yoshio Idota, Tadahiko Kubota, Akihiro Matsufuji +2

    Maqola19974 iqtibos
    ABI

  19. Combining Synchronous Transit and Quasi‐Newton Methods to Find Transition States

    Chunyang Peng, H. Bernhard Schlegel

    Maqola19934 iqtibos
    ABI

  20. 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

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

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

    Maqola20213 iqtibos
    ABI

  22. 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

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

    Basant A. Ali, Nageh K. Allam

    Maqola20193 iqtibos
    ABI

  24. Mechanically robust, self-healing graphene like defective SiC: A prospective anode of Li-ion batteries

    M.S. Manju, Siby Thomas, Sang Uck Lee +1

    Maqola20203 iqtibos
    ABI

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

    Tomohiro Tojo, Yosuke Sugiura, Ryoji Inada +1

    Maqola20163 iqtibos
    ABI