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Updated: Sep 17, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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Fe-Co 双位点 p-d 轨道杂交:电子重组用于加速氧的进化动力学

Hui Su1, Furong Ye1, Siyi Zhang1

  • 1School of Science, Hubei University of Technology, Wuhan 430068, China; School of Chip Industry, Hubei University of Technology, Wuhan 430068, China; Hubei Engineering Technology Research Center of Energy Photoelectric Device and System, Hubei University of Technology, Wuhan 430068, China.

Journal of colloid and interface science
|June 29, 2025
PubMed
概括

设计的Fe-CoS2/Ni3S4双站点催化剂可促进水电解,以实现可持续的生产. 这种双调节策略优化了轨道杂交和表面重建,实现了超低的超潜力和高稳定性.

关键词:
在 DFT 方面,它是最重要的.双站点 - 双站点是指双站点.铁-CoS(2)/Ni(3) S(4) 的使用情况.P-d 轨道杂交的情况.旋转状态 旋转状态

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Protein Film Infrared Electrochemistry Demonstrated for Study of H2 Oxidation by a [NiFe] Hydrogenase10:01

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