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A method for improving the performance of molybdenum disulfide catalytic hydrogen evolution

A technology of molybdenum disulfide and hydrogen evolution, which is applied in the field of catalytic hydrogen evolution, can solve the problems of unsatisfactory performance and performance impact of molybdenum disulfide catalytic hydrogen evolution, and achieve the effect of improving catalytic hydrogen evolution performance and consistent excellence

Active Publication Date: 2021-07-20
TAIYUAN UNIV OF TECH
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Problems solved by technology

[0005] The present invention provides a method for improving the catalytic hydrogen evolution performance of molybdenum disulfide in order to solve the problem that the current performance of molybdenum disulfide catalytic hydrogen evolution is not ideal, and its performance is greatly affected by the surface H coverage

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  • A method for improving the performance of molybdenum disulfide catalytic hydrogen evolution
  • A method for improving the performance of molybdenum disulfide catalytic hydrogen evolution
  • A method for improving the performance of molybdenum disulfide catalytic hydrogen evolution

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Embodiment Construction

[0020] 2H-phase MoS 2 The catalytic hydrogen evolution performance of two-dimensional materials only exists at its edge sites, and the surface is catalytically inert, which is extremely unfavorable for its application in catalytic reactions. After converting to 1T phase, although the surface has obtained a certain catalytic activity, but Its performance is still poor and greatly affected by the surface coverage of H.

[0021] A method to improve the performance of molybdenum disulfide catalytic hydrogen evolution, using the first-principle density functional theory, using the VESTA material model construction software, to construct several difference models of different phases and different Ni doping sites, using the Vienna Abinitio Simulation Package That is, VASP software, for Ni-doped 1T phase MoS 2 The catalytic hydrogen evolution performance was characterized, and the Ni-doped 1T phase MoS with improved catalytic hydrogen evolution performance was obtained 2 .

[0022]...

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Abstract

The invention belongs to the technical field of catalytic hydrogen evolution, and provides a method for improving the catalytic hydrogen evolution performance of molybdenum disulfide in order to solve the problem that the current catalytic hydrogen evolution performance of molybdenum disulfide is not satisfactory and its performance is greatly affected by the surface H coverage. Using density functional theory based on first principles, using VESTA material model building software to construct several difference models of different phases and different Ni-doped sites, using VASP software to analyze the Ni-doped 1T phase MoS 2 The catalytic hydrogen evolution performance was characterized, and the Ni-doped 1T phase MoS with improved catalytic hydrogen evolution performance was obtained 2 . Using the first-principles calculation simulation method, the 1T phase MoS was successfully doped by single-atom Ni 2 Adjust the binding strength of H atoms to the surface of the catalyst to improve its catalytic hydrogen evolution performance. It is found that its effect is close to that of the noble metal Pt, and its catalytic performance shows consistent excellence under different H coverage conditions.

Description

technical field [0001] The invention belongs to the technical field of catalytic hydrogen evolution, and specifically relates to a method for improving the catalytic hydrogen evolution performance of molybdenum disulfide, which improves the catalytic hydrogen evolution performance of molybdenum disulfide through Ni atom doping. Background technique [0002] With the development of science and technology and the progress of society, energy problems have become more and more prominent. Issues such as the transition of fossil energy exploitation and serious air pollution have posed huge challenges to human beings. Hydrogen energy, with its high energy density, has no combustion products Pollution, low mass and other excellent performance, become one of the most potential new energy sources. At present, one of the most ideal ways to obtain hydrogen is to electrolyze water to produce hydrogen, that is, to use the surplus electric energy generated by wind energy, solar energy and ...

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16C20/10G16C20/70G16C20/90
Inventor 徐利春郝宇杨致刘瑞萍李秀燕
Owner TAIYUAN UNIV OF TECH
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