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Ish: Design of advanced catalysts for green ammonia production: activity and mechanism study

  1. 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

  2. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

    Samuel Francis Boys, Fernando Bernardi

    Maqola197030 iqtibos
    ABI

  3. GROMACS: Fast, flexible, and free

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

    Maqola200521 iqtibos
    ABI

  4. Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

    Jens K. Nørskov, Jan Rossmeisl, Á. Logadóttir +4

    Maqola200416 iqtibos
    ABI

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

    Tahereh Ghaed-Sharaf, Akbar Omidvar

    Maqola20248 iqtibos
    ABI

  6. Combining theory and experiment in electrocatalysis: Insights into materials design

    Zhi Wei Seh, Jakob Kibsgaard, Colin F. Dickens +3

    Sharh maqolaOchiq kirish20176 iqtibos
    ABI

  7. 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

  8. 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

  9. 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

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

    Akbar Omidvar

    Maqola20174 iqtibos
    ABI

  11. 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

  12. Metallocorroles as bifunctional electrocatalysts for water-splitting: A theoretical investigation

    Akbar Omidvar, Hadise Soleymani

    Maqola20244 iqtibos
    ABI

  13. 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

  14. 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

  15. Advanced catalysts for sustainable hydrogen generation and storage via hydrogen evolution and carbon dioxide/nitrogen reduction reactions

    Kaihua Liu, Haixia Zhong, Sijia Li +5

    Maqola20173 iqtibos
    ABI

  16. Graphdiyne coordinated transition metals as single-atom catalysts for nitrogen fixation

    Zhen Feng, Yanan Tang, Weiguang Chen +4

    Maqola20203 iqtibos
    ABI

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