Mechanistic Insights into Light-Driven Hydrogen Evolution Reaction from Formic Acid by an Iridium Ph

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：hhl20020922

【摘要】

：

【作者】

：

Pin Xiao Dan Wu Wei-Hai Fang Ganglong Cui

【机构】

：

Key Laboratory of Theoretical and Computational Photochemistry,Ministry of Education,College of Chem

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年10期

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A novel light-triggered hydrogen evolution from formic acid mediated by a Ir(Ⅲ) photocatalyst has been experimentally reported recently.However,its reaction mechanism remains elusive.Herein we have employed density functional theory(DFT) method to explore this photocatalytic reaction in detail.

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Mechanistic Insights into Light-Driven Hydrogen Evolution Reaction from Formic Acid by an Iridium Ph

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