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JOURNAL ARTICLE

The charge effects on the hydrogen evolution reaction activity of the defected monolayer MoS₂

Jing Zhang Dongying Li Lin Ju Gui Yang Di Yuan Zhenzhen Feng Wentao Wang

Year: 2023 Journal: Physical Chemistry Chemical Physics Vol: 25 (15)Pages: 10956-10965 Publisher: Royal Society of Chemistry

DOI: 10.1039/d2cp05927d

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Abstract

HER activity of defected MoS 2 is not only influenced by the Δ G H* as previously thought, but also by formation energies, charge state and Fermi level's position of defects.

Keywords:

Fermi level Monolayer Doping Density functional theory Charge (physics) Atom (system on chip) Hydrogen Elementary charge Chemistry Materials science Chemical physics Computational chemistry Nanotechnology Physics Electron

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Topics

Electrocatalysts for Energy Conversion

Physical Sciences → Energy → Renewable Energy, Sustainability and the Environment

2D Materials and Applications

Physical Sciences → Materials Science → Materials Chemistry

MXene and MAX Phase Materials

Physical Sciences → Materials Science → Materials Chemistry

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