The mechanism of hydrogen and oxygen evolution reaction in Ni-NiO/β-Ga2O3 photocatalyst
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- 作者：Xin Zhoua ; zhouxin@dlu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Hao Dongb ; sinodonghao@gmail.com" class="auth_mail" title="E-mail the corresponding author ; Ai-Min Renc
- 关键词：Photocatalytic water-splitting ; Hydrogen evolution reaction ; Oxygen evolution reaction ; Density functional theory ; Ga2O3
- 刊名：International Journal of Hydrogen Energy
- 出版年：2016
- 出版时间：13 April 2016
- 年：2016
- 卷：41
- 期：13
- 页码：5670-5681
- 全文大小：6195 K
文摘
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In Nin/Ga2O3 systems, the reaction sites of HER are predicted to be on Nin clusters.
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The addition of NinOn cluster makes the decomposition process of water in Ga2O3 photocatalyst more favorable.
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The strength of interfacial hydrogen bond is highly related to the stability of adsorption structure.
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The overpotential needed for OER on NinOn/Ga2O3 is remarkably lower than that on clean Ga2O3 surface.
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Theoretical findings provide reasonable explanations on experimental observations in NiOx/Ga2O3 photocatalyst.