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60 ta ish

Ish: Computational design of metalloborospherene-based electrocatalysts for hydrogen and oxygen evolution reactions

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Maqola1996196 iqtibos
    ABI

  2. 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

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

    Stefan Grimme

    Maqola200658 iqtibos
    ABI

  4. General atomic and molecular electronic structure system

    Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz +10

    Maqola199357 iqtibos
    ABI

  5. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

    M Abraham, Teemu J. Murtola, Roland Schulz +4

    MaqolaOchiq kirish201541 iqtibos
    ABI

  6. GROMACS: Fast, flexible, and free

    David van der Spoel, Erik Lindahl, Berk Hess +3

    Maqola200521 iqtibos
    ABI

  7. Co3S4-pyrolysis lotus fiber flexible textile as a hybrid electrocatalyst for overall water splitting

    Qiulan Zhou, Zhen Liu, Xuxu Wang +5

    Maqola202313 iqtibos
    ABI

  8. Trends in the Exchange Current for Hydrogen Evolution

    Jens K. Nørskov, Thomas Bligaard, Á. Logadóttir +4

    MaqolaOchiq kirish200512 iqtibos
    ABI

  9. Cooperativity in Fe2N5P dual-atomic site: Designing dual atom catalysts for water-splitting reactions

    Tahereh Ghaed-Sharaf, Akbar Omidvar

    Maqola20248 iqtibos
    ABI

  10. Mechanism of oxygen generation via the oxygen evolution reaction in transition metal chalcogenides: A theoretical study

    Chou‐Yi Hsu, Ali B.M. Ali, Ammar Yasir Ahmed +8

    MaqolaElectrocatalysts for Energy ConversionJournal of environmental chemical engineering20257 iqtibos
    ABI

  11. Computational high-throughput screening of electrocatalytic materials for hydrogen evolution

    Jeff Greeley, Thomas F. Jaramillo, Jacob Bonde +2

    Maqola20067 iqtibos
    ABI

  12. Recent Advances in Electrocatalytic Hydrogen Evolution Using Nanoparticles

    Jing Zhu, Liangsheng Hu, Pengxiang Zhao +2

    Sharh maqolaOchiq kirish20197 iqtibos
    ABI

  13. Hydrogen as an energy carrier: Prospects and challenges

    Kaveh Mazloomi, Chandima Gomes

    Maqola20126 iqtibos
    ABI

  14. Scrutinization of late first-row transition metals decorated octagonal boron (B8) ring complexes as single-atom catalysts for green hydrogen and oxygen production

    Naveen Kosar, Tariq Mahmood, Muhammad Arshad +2

    MaqolaOchiq kirishElectrocatalysts for Energy ConversionRSC Advances20255 iqtibos
    ABI

  15. Hydrogénations et déshydrogénations par catalyse

    Paul Sabatier

    Maqola19115 iqtibos
    ABI

  16. Anchoring zero valence single atoms of nickel and iron on graphdiyne for hydrogen evolution

    Yurui Xue, Bolong Huang, Yuanping Yi +6

    MaqolaOchiq kirish20184 iqtibos
    ABI

  17. Heterogeneous Single‐Atom Catalyst for Visible‐Light‐Driven High‐Turnover CO<sub>2</sub> Reduction: The Role of Electron Transfer

    Chao Gao, Shuangming Chen, Ying Wang +6

    Maqola20184 iqtibos
    ABI

  18. Catalytic activation of O2 molecule by transition metal atoms deposited on the outer surface of BN nanocluster

    Akbar Omidvar

    Maqola20174 iqtibos
    ABI

  19. The reversible hydrogen storage abilities of metal Na (Li, K, Ca, Mg, Sc, Ti, Y) decorated all-boron cage B28

    Lin Si, Chunmei Tang

    Maqola20174 iqtibos
    ABI

  20. Hydrogen Evolution Reaction Activity of Heterogeneous Materials: A Theoretical Model

    Joakim Ekspong, Eduardo Gracia‐Espino, Thomas Wågberg

    Maqola20204 iqtibos
    ABI

  21. Hydrogen binding on the B36 borophene nanoflake decorated with first row transition metal atoms: DFT, QTAIM and AIMD study

    Kristína Tančárová, Iuliia V. Voroshylova, Lukáš Bučinský +1

    Maqola20244 iqtibos
    ABI

  22. Isolated Fe and Co dual active sites on nitrogen-doped carbon for a highly efficient oxygen reduction reaction

    Diyang Zhang, Wenxing Chen, Zhi Li +9

    Maqola20184 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa4 iqtibos
    ABI

  24. Water Splitting Reaction Mechanism on Transition Metal (Fe-Cu) Sulphide and Selenide Clusters—А DFT Study

    Ellie L. Uzunova, Ivelina Georgieva, Tsvetan Zahariev

    Maqola20233 iqtibos
    ABI

  25. Preferable single-atom catalysts enabled by natural language processing for high energy density Na-S batteries

    Ruilin Bai, Yu Yao, Qiaosong Lin +12

    Maqola20253 iqtibos
    ABI