Defect sites on oxide semiconductors play a crucial role in promoting photocatalytiperformance and mod-ulating the bandgap structure of photocatalysts.However,the role of interfacial coordinatively unsatu-rated defect sites between metal and oxide in photocatalysis is still under debate.So,we designed an experiment to probe the role of interfacial coordinatively unsaturated defect sites.In this work,a se-ries of Ti/TiO2 photocatalysts with varying concentrations of interfacial Ti3+sites were prepared through an epitaxial growth method under hydrothermal conditions.Through experimental and computational investigations,the roles of interfacial defect sites were discussed in detail.On the one hand,the inter-facial coordinatively unsaturated Ti3+sites could act as visible-light-responsive sites in photocatalytic reactions due to the overlap and hybridization of multiple electronic orbitals.On the other hand,the Ti/TiO2 interface exhibited a certain degree of metallic character near the Fermi level because of the par-tial delocalization and redistribution of electrons,facilitating the charge migration and separation across the metal-oxide interface.Consequently,the obtained Ti/TiO2 catalysts showed notably enhanced charge transfer efficiency and visible light photocatalytic activity compared to their pristine counterparts.This work may provide a new perspective to interfacial defect engineering in classic metal/oxide heterojunc-tion photocatalysts and figure a more precise direction to synthesize higher effective photocatalysts for environmental governance.

Yangfan Zhang;Yao Li;Han Yu;Kai Yu;Hongbing Yu

College of Environmental Science and Engineering,Nankai University,Tianjin 300350,China;School of Economics and Management,Tiangong University,Tianjin 300350,China;Department of Water Resources Engineering,Lund University,22100 Lund,Sweden

材料科学技术（英文版）

[1]Yangfan Zhang;Yao Li;Han Yu;Kai Yu;Hongbing Yu-.Interfacial defective Ti3+on Ti/TiO2 as visible-light responsive sites with promoted charge transfer and photocatalytic performance)[J].材料科学技术（英文版）,2022(11):139-146

Ti3+on,photocatalytiperformance,coordinatively,Ti3+sites

Interfacial,defective,TiO2,visible,light,responsive,promoted,charge,transfer,photocatalytic,Defect,oxide,semiconductors,play,crucial,promoting,mod,ulating,bandgap,structure,photocatalysts,However,interfacial,between,photocatalysis,still,under,debate,So,designed,probe,unsaturated,this,work,ries,varying,concentrations,were,prepared,through,epitaxial,growth,method,hydrothermal,conditions,Through,experimental,computational,investigations,roles,discussed,detail,On,one,hand,could,reactions,due,overlap,hybridization,multiple,electronic,orbitals,interface,exhibited,certain,degree,metallic,character,near,Fermi,level,because,tial,delocalization,redistribution,electrons,facilitating,migration,separation,across,Consequently,obtained,showed,notably,enhanced,efficiency,activity,compared,their,pristine,counterparts,This,may,provide,new,perspective,engineering,classic,heterojunc,figure,more,precise,direction,synthesize,higher,effective,environmental,governance

0.526897