典型文献
The Structural and Chemical Reactivity of Lattice Oxygens onβ-PbO2 EOP Electrocatalysts
文献摘要：
The oxygen evolution reaction(OER)and electrochemical ozone production(EOP)attracted considerable attention due to their wide applications in electrocatalysis,but the detailed reaction mechanism of product formation as well as the voltage effect on O2/O3 formation still remains unclear.In this work,density functional theory calculations were used to systematically investigate the possible reaction mechanisms of OER and EOP on the PbO2(110)surface,with the possi-ble reaction network involving surface lattice oxygen atoms(LOM)proposed.The results show that the LOM-2 reaction pathway involving two surface lattice oxygen atoms(Olatt)and one oxygen atom from H2O was the most thermodynamically reactive.Different potential determining step(PDS)was obtained depending on the multiple reaction pathway,and the results show that the facile diffusion of Olatt would proceed the LOM pathway and promote the formation of surface oxygen vacancies(Ovac1/Ovac2).Furtnermore,Ovac1/Ovac2 formaton on the surface would trigger further reactions of H2O adsorption and splitting,which refilled the oxygen vacancy and ensured the considerable stability of the PbO2(110)surface.Multiple H2O dissociation pathways were proposed on PbO2(110)with oxygen vacancy sites:the acid-base interaction mechanism and the vacancy fulfilling mechanism.
文献关键词：
中图分类号：
作者姓名：
Wenwen Li;Ge Feng;Jia Liu;Xing Zhong;Zihao Yao;Shengwei Deng;Shibin Wang;Jianguo Wang
作者机构：
Institute of Industrial Catalysis,State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology,College of Chemical Engineering,Zhejiang University of Technology,Hangzhou 310032,P.R.China
文献出处：
引用格式：
[1]Wenwen Li;Ge Feng;Jia Liu;Xing Zhong;Zihao Yao;Shengwei Deng;Shibin Wang;Jianguo Wang-.The Structural and Chemical Reactivity of Lattice Oxygens onβ-PbO2 EOP Electrocatalysts)[J].结构化学,2022(12):51-59
A类：
Oxygens,Olatt,Ovac1,Ovac2,Furtnermore,formaton,refilled
B类：
Structural,Chemical,Reactivity,Lattice,PbO2,EOP,Electrocatalysts,oxygen,evolution,OER,electrochemical,ozone,production,attracted,considerable,attention,due,their,wide,applications,electrocatalysis,but,detailed,formation,well,voltage,effect,O3,still,remains,unclear,In,this,density,functional,theory,calculations,were,used,systematically,investigate,possible,mechanisms,surface,network,involving,lattice,atoms,LOM,proposed,results,show,that,from,H2O,was,most,thermodynamically,reactive,Different,potential,determining,step,PDS,obtained,depending,multiple,facile,diffusion,would,proceed,promote,vacancies,trigger,further,reactions,adsorption,splitting,which,vacancy,ensured,stability,Multiple,dissociation,pathways,sites,acid,base,interaction,fulfilling
AB值：
0.47763
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