Асосий контентга ўтиш
AkademIndex

Маҳсулотлар

Ишлаб чиқувчилар учун

AkademBaseЭкотизим учун очиқ API
← Ишга қайтиш

Ушбу иш иқтибос қилган ишлар

127 та иш

Иш: 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

    Мақола2011110 иқтибос
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Мақола199677 иқтибос
    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

    Мақола201057 иқтибос
    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

    Мақола200729 иқтибос
    ABI

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

    Carlo Adamo, Vincenzo Barone

    Мақола199915 иқтибос
    ABI

  6. Сарлавҳасиз

    Бошқа12 иқтибос
    ABI

  7. NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

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

    Мақола20116 иқтибос
    ABI

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

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

    Мақола20224 иқтибос
    ABI

  9. Potential applications of the boron cluster compounds

    J. Plešek

    Шарҳ мақола19923 иқтибос
    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

    Мақола20223 иқтибос
    ABI

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

    Lei Han, Shaojun Dong, Erkang Wang

    Мақола20163 иқтибос
    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

    Мақола20203 иқтибос
    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

    Мақола20203 иқтибос
    ABI

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

    Ziyou Yu, Yu Duan, Xingyu Feng +3

    Шарҳ мақола20213 иқтибос
    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

    Мақола20213 иқтибос
    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

    Мақола20223 иқтибос
    ABI

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

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

    Мақола20162 иқтибос
    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

    Мақола20092 иқтибос
    ABI

  19. A correlation study of boron dimers and trimers

    I. A. Howard, Asok Ray

    Мақола19972 иқтибос
    ABI

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

    Gábor I. Csonka

    Мақола20022 иқтибос
    ABI

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

    Osamu Mishima, Junzo Tanaka, Shinobu Yamaoka +1

    Мақола19872 иқтибос
    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

    Мақола19972 иқтибос
    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

    Мақола20062 иқтибос
    ABI

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

    Xiyu Li, Peng Cui, Wenhui Zhong +4

    Мақола20162 иқтибос
    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

    Мақола20172 иқтибос
    ABI