Two-dimensional boron sheets as metal-free catalysts for hydrogen evolution reaction

Chuangwei Liu; Zhongxu Dai; Jie Zhang; Yonggang Jin; Dongsheng Li; Chenghua Sun

doi:10.1021/acs.jpcc.8b05859

Two-dimensional boron sheets as metal-free catalysts for hydrogen evolution reaction

Chuangwei Liu, Zhongxu Dai, Jie Zhang, Yonggang Jin, Dongsheng Li, Chenghua Sun

School of Chemistry

Research output: Contribution to journal › Article › Research › peer-review

26 Citations (Scopus)

Abstract

Current metal-free catalysts for hydrogen evolution reaction (HER) are mainly carbon-based. In this work, HER catalytic activity on two-dimensional (2D) boron sheets (α and β ₁₂ ) are explored using periodic density functional theory. Using the binding free energy of H (ΔG _H∗ ) as the descriptor, we found that both α and β ₁₂ sheets present superior activity, with ΔG _H∗ being close to zero. It is expected that 2D boron sheets would be a promising metal-free catalyst in the electrolysis of water and may offer novel thoughts for the design of new catalysts for other reactions.

Original language	English
Pages (from-to)	19051-19055
Number of pages	5
Journal	Journal of Physical Chemistry C
Volume	122
Issue number	33
DOIs	https://doi.org/10.1021/acs.jpcc.8b05859
Publication status	Published - 23 Aug 2018

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10.1021/acs.jpcc.8b05859

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Cite this

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title = "Two-dimensional boron sheets as metal-free catalysts for hydrogen evolution reaction",

abstract = " Current metal-free catalysts for hydrogen evolution reaction (HER) are mainly carbon-based. In this work, HER catalytic activity on two-dimensional (2D) boron sheets (α and β 12 ) are explored using periodic density functional theory. Using the binding free energy of H (ΔG H∗ ) as the descriptor, we found that both α and β 12 sheets present superior activity, with ΔG H∗ being close to zero. It is expected that 2D boron sheets would be a promising metal-free catalyst in the electrolysis of water and may offer novel thoughts for the design of new catalysts for other reactions. ",

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AU - Liu, Chuangwei

AU - Dai, Zhongxu

AU - Zhang, Jie

AU - Jin, Yonggang

AU - Li, Dongsheng

AU - Sun, Chenghua

PY - 2018/8/23

Y1 - 2018/8/23

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AB - Current metal-free catalysts for hydrogen evolution reaction (HER) are mainly carbon-based. In this work, HER catalytic activity on two-dimensional (2D) boron sheets (α and β 12 ) are explored using periodic density functional theory. Using the binding free energy of H (ΔG H∗ ) as the descriptor, we found that both α and β 12 sheets present superior activity, with ΔG H∗ being close to zero. It is expected that 2D boron sheets would be a promising metal-free catalyst in the electrolysis of water and may offer novel thoughts for the design of new catalysts for other reactions.

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