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Работы, на которые ссылается эта работа

Работ: 127

Работа: Exploration of hydrogen evolution reaction (HER) by using first row transition metals doped B6 complexes as support materials

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Статья2011Цитирований: 110
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Статья1996Цитирований: 77
    ABI

  3. 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

    Статья2010Цитирований: 57
    ABI

  4. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

    Yan Zhao, Donald G. Truhlar

    Статья2007Цитирований: 29
    ABI

  5. Toward reliable density functional methods without adjustable parameters: The PBE0 model

    Carlo Adamo, Vincenzo Barone

    Статья1999Цитирований: 15
    ABI

  6. Без названия

    ДругоеЦитирований: 12
    ABI

  7. NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

    Julia Contreras‐García, Erin R. Johnson, Shahar Keinan +4

    Статья2011Цитирований: 6
    ABI

  8. Silicon Carbide Based Nanotubes as a Sensing Material for Gaseous H2SiCl2

    Mohsen Doust Mohammadi, Hewa Y. Abdullah, Somnath Bhowmick +1

    Статья2022Цитирований: 4
    ABI

  9. Potential applications of the boron cluster compounds

    J. Plešek

    Обзорная статья1992Цитирований: 3
    ABI

  10. Recent advances in cobalt phosphide-based materials for electrocatalytic water splitting: From catalytic mechanism and synthesis method to optimization design

    Rongrong Deng, Mengwei Guo, Chaowu Wang +1

    Статья2022Цитирований: 3
    ABI

  11. Transition‐Metal (Co, Ni, and Fe)‐Based Electrocatalysts for the Water Oxidation Reaction

    Lei Han, Shaojun Dong, Erkang Wang

    Статья2016Цитирований: 3
    ABI

  12. High-Temperature Gas Sensor Based on Novel Pt Single Atoms@SnO<sub>2</sub> Nanorods@SiC Nanosheets Multi-heterojunctions

    Lian Sun, Bing Wang, Yingde Wang

    Статья2020Цитирований: 3
    ABI

  13. The adsorption of bromochlorodifluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study

    Mohsen Doust Mohammadi, Hewa Y. Abdullah

    Статья2020Цитирований: 3
    ABI

  14. Clean and Affordable Hydrogen Fuel from Alkaline Water Splitting: Past, Recent Progress, and Future Prospects

    Ziyou Yu, Yu Duan, Xingyu Feng +3

    Обзорная статья2021Цитирований: 3
    ABI

  15. Directly anchoring non-noble metal single atoms on 1T-TMDs with tip structure for efficient hydrogen evolution

    Wenda Zhou, Zhenzhen Jiang, Mingyue Chen +7

    Статья2021Цитирований: 3
    ABI

  16. Theoretical investigation of HER/OER/ORR catalytic activity of single atom-decorated graphyne by DFT and comparative DOS analyses

    Mingming Guo, Mingjuan Ji, Wei Cui

    Статья2022Цитирований: 3
    ABI

  17. 2D MXenes: A New Family of Promising Catalysts for the Hydrogen Evolution Reaction

    Guoping Gao, Anthony P. O’Mullane, Aijun Du

    Статья2016Цитирований: 2
    ABI

  18. Density Functional Study of Physical and Chemical Properties of Nano Size Boron Clusters: B<i>n</i>(<i>n</i>= 1320)

    Murat Ati̇ş, Cem Ozdosan, Zi̇ya B. Güvenç

    Статья2009Цитирований: 2
    ABI

  19. A correlation study of boron dimers and trimers

    I. A. Howard, Asok Ray

    Статья1997Цитирований: 2
    ABI

  20. Proper basis set for quantum mechanical studies of potential energy surfaces of carbohydrates

    Gábor I. Csonka

    Статья2002Цитирований: 2
    ABI

  21. High-Temperature Cubic Boron Nitride P-N Junction Diode Made at High Pressure

    Osamu Mishima, Junzo Tanaka, Shinobu Yamaoka +1

    Статья1987Цитирований: 2
    ABI

  22. Systematic ab initio investigation of bare boron clusters:mDetermination of the geometryand electronic structures of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">B</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="normal">n</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>(n=2–14)

    Ihsan Boustani

    Статья1997Цитирований: 2
    ABI

  23. Structure and energetic of B<sub><i>n</i></sub> (<i>n</i> = 2–12) clusters: Electronic structure calculations

    Murat Ati̇ş, Cem Özdoğan, Zi̇ya B. Güvenç

    Статья2006Цитирований: 2
    ABI

  24. Graphitic carbon nitride supported single-atom catalysts for efficient oxygen evolution reaction

    Xiyu Li, Peng Cui, Wenhui Zhong +4

    Статья2016Цитирований: 2
    ABI

  25. Os/Si nanocomposites as excellent hydrogen evolution electrocatalysts with thermodynamically more favorable hydrogen adsorption free energy than platinum

    Yafei Cheng, Xing Fan, Fan Liao +7

    Статья2017Цитирований: 2
    ABI