典型文献
Photocatalytic HER Performance of TiO2-supported Single Atom Catalyst Based on Electronic Regulation:A DFT Study
文献摘要：
Hydrogen is a kind of sustainable clean energy.Sunlight-driven hydrogen evolution reaction(HER)from water splitting assisted by photocatalysts is very crucial for developing clean energy technologies.Single-atom catalysts,such as atomically dispersed Pt on anatase(Pt1/TiO2)have exhibited excellent photocatalytic HER performance.However,the role of a single atom is still elusive.The mechanism of photocatalytic HER of TiO2-supported noble metal single-atom catalysts has been studied.The supported single-atom Pt could narrow the bandgap of TiO2,enhance the optical absorption properties,and promote the transfer of the excited electrons.Excited electrons do not participate in the process of O—H cleavage,but can participate in the process of proton reduction and greatly reduce the hydrogen evolution energy barrier.Therefore,the hydrogen evolution energy can be used as a descriptor to evaluate the activity of TiO2-supported single-atom catalysts.The activity of hydrogen evolution is found to be related to the number of d-band electrons of the single noble atom on Mi/TiO2(M=Pd,Pt,Rh,Ir).The increase of the number of d electrons in the single atom could reduce the hydrogen evolution energy and promote the hydrogen evolution process.
文献关键词：
中图分类号：
作者姓名：
SONG Weiyu;LV Xintong;GAO Yang;WANG Lu
作者机构：
State Key Laboratory of Heavy Oil Processing,College of Science,China University of Petroleum-Beijing,Beijing 102249,P.R.China
文献出处：
引用格式：
[1]SONG Weiyu;LV Xintong;GAO Yang;WANG Lu-.Photocatalytic HER Performance of TiO2-supported Single Atom Catalyst Based on Electronic Regulation:A DFT Study)[J].高等学校化学研究（英文版）,2022(04):1025-1031
A类：
B类：
Photocatalytic,HER,Performance,TiO2,supported,Single,Atom,Catalyst,Based,Electronic,Regulation,DFT,Study,Hydrogen,kind,sustainable,clean,energy,Sunlight,driven,hydrogen,evolution,reaction,from,water,splitting,assisted,by,photocatalysts,very,crucial,developing,technologies,such,atomically,dispersed,anatase,Pt1,have,exhibited,excellent,photocatalytic,performance,However,role,single,still,elusive,mechanism,noble,metal,has,been,studied,could,narrow,bandgap,enhance,optical,absorption,properties,promote,transfer,excited,electrons,Excited,do,not,participate,process,cleavage,but,can,proton,reduction,greatly,reduce,barrier,Therefore,used,descriptor,evaluate,activity,found,related,number,Mi,Pd,Rh,Ir,increase
AB值：
0.523894
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