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1、16964J.Phys.Chem.C2010,114,16964–16972EnhancedBondingofSilverNanoparticlesonOxidizedTiO(110)†2JonasØ.Hansen,‡EstephaniaLira,‡PatrickGalliker,‡Jian-GuoWang,§PhillipT.Sprunger,
2、ZheshenLi,‡ErikLægsgaard,‡StefanWendt,*,‡BjørkHammer,‡andFlemmingBesenbacher*,‡Interdisci
3、plinaryNanoscienceCenter(iNANO),DepartmentofPhysicsandAstronomy,andInstituteforStorageRingFacilities(ISA),AarhusUniVersity,DK-8000AarhusC,Denmark,CollegeofChemicalEngineeringandMaterialsScience,ZhejiangUniVersityofTechnology,Hangzhou,310032,People’sRepublicofChina
4、,andDepartmentofPhysicsandAstronomy,LouisianaStateUniVersity,BatonRouge,Louisiana70808ReceiVed:February25,2010;ReVisedManuscriptReceiVed:May4,2010ThenucleationandgrowthofsilvernanoclustersonTiO2(110)surfaceswithon-topOadatoms(oxidizedTiO2),surfaceOvacanciesandHada
5、toms(reducedTiO2)havebeenstudied.Fromtheinterplayofscanningtunnelingmicroscopy/photoelectronspectroscopyexperimentsanddensityfunctionaltheorycalculations,itisfoundthatsilverclustersaremuchmorestronglybondedtooxidizedTiO2(110)surfacesthantoreducedTiO2(110)modelsupp
6、orts.ItisshownthatelectronicchargecanbetransferredfromsilverclusterstotheoxidizedTiO2(110)surface,asevidencedbythereappearanceoftheTi3ddefectstateuponsilverexposure.Furthermore,frombothscanningtunnelingmicroscopydataanddensityfunctionaltheorycalculationsthemostfav
7、orableadsorptionsiteofsilvermonomersonoxidizedTiO2(110)isonethatbridgesbetweenon-topOadatomsandregularsurfaceOatomsnearby.1.IntroductionbeenreportedthatAgclustersgrowonthereducedTiO2(110)surfaceasuniform,three-dimensionalclusters,indicatingaweakSupportedtransition
8、metalnanoclustershaveawiderangeinteractionbetweenAgandthesupport.However,exclusivelyoftechnologicalapplicationswithindiverseareasincludingreducedTiO2(110)surfaceswereusedasmodelsupportsinheterogeneouscatalysis,photocatalysis,solarcells,andgasprevioussurfacescience
9、studies,andthenucleationofAgsensors.1-5IntenseresearchhasbeencarriedouttounraveltheclustersonoxidizedTiO2(110)surfaceshasnotbeenaddressed.structure-reac