Rational design of an efficient descriptor for single-atom catalysts in the hydrogen evolution reaction

Haicai Huang; Yang Zhao; Jing Wang; Jun Li; Jing Chen; Qiang Fu; Yuxiang Bu; Shi‐Bo Cheng

doi:10.1039/d0ta01500h

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Rational design of an efficient descriptor for single-atom catalysts in the hydrogen evolution reaction

Haicai Huang Yang Zhao Jing Wang Jun Li Jing Chen Qiang Fu Yuxiang Bu Shi‐Bo Cheng

Year: 2020 Journal: Journal of Materials Chemistry A Vol: 8 (18)Pages: 9202-9208 Publisher: Royal Society of Chemistry

DOI: 10.1039/d0ta01500h

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Abstract

A highly efficient and reliable descriptor is proposed offering a strategy to rationally design SACs for the HER conveniently and quickly.

Keywords:

Rational design Catalysis Hydrogen atom Atom (system on chip) Computer science Combinatorial chemistry Chemistry Nanotechnology Materials science Embedded system Organic chemistry

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Electrocatalysts for Energy Conversion

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

Machine Learning in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

Advanced Photocatalysis Techniques

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

Rational design of an efficient descriptor for single-atom catalysts in the hydrogen evolution reaction

Abstract

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