资源描述：
《Direct Evidence for Ethanol Dissociation on Rutile TiO2(110)》由会员上传分享，免费在线阅读，更多相关内容在学术论文-天天文库。
1、weekendingPRL107,136102(2011)PHYSICALREVIEWLETTERS23SEPTEMBER2011DirectEvidenceforEthanolDissociationonRutileTiO2ð110ÞJ.Ø.Hansen,P.Huo,U.Martinez,E.Lira,Y.Y.Wei,R.Streber,E.Lægsgaard,B.Hammer,S.Wendt,*andF.BesenbacherInterdisciplinaryNanoscienceCenter(iNANO),DepartmentofPhysic
2、sandAstronomy,AarhusUniversity,DK-8000AarhusC,Denmark(Received1July2011;published19September2011)WehavestudiedtheinteractionofethanolwithreducedTiO2ð110Þ-ð11Þbyhigh-resolutionscanningtunnelingmicroscopy(STM)measurementsanddensityfunctionaltheorycalculations.TheSTMdatarevealed
3、directevidenceforthecoexistenceofmolecularlyanddissociativelyadsorbedethanolspeciesonsurfaceTisites.Inaddition,wefoundevidencefordissociationofethanolatbridge-bondedOvacancies.Thedensityfunctionaltheorycalculationssupportthesefindingsandrationalizethedistinctdiffusionbehaviorso
4、fmolecularlyanddissociativelyadsorbedethanolspecies,asrevealedintime-lapsedSTMimages.DOI:10.1103/PhysRevLett.107.136102PACSnumbers:68.47.Gh,68.37.Ef,68.43.h,82.37.NpInrecentyears,considerableresearcheffortshavebeenEtOHspeciescoexistonregularsurfaceTisites.Thetwodirectedtoward
5、sthethermalandphotocatalyticoxidationadsorbatescanbedistinguishedintheSTMimagesbe-ofalcoholsonTiO2surfaces[116].Theseeffortscauseoftheirdifferentapparentheightsanddiffusionrates.arelargelymotivatedbythehighoxidationpowerofFurthermore,weshowbyrecordingoftime-lapsedSTMTiO2-based
6、materialsthatallowforapplicationsinwater,imagesthatEtOHmoleculesdissociateatObrvac.s.Theair,andsoilpurification[1719].TheinteractionofethanolDFTcalculationsareinaccordwiththeassignmentsofthe(CH3CH2OHorEtOH)withoxidesurfacesisofparticularadsorbatesandrationalizetheobserveddistin
7、ctdiffusioninterestbecauseEtOHholdspromisebothasrenewablebehaviorsofmolecularlyanddissociativelyadsorbedenergycarrier[6]andasfeedstockinapossiblegreenEtOHspecies.Implicationsofthesefindingsarediscussed.chemistryinthefuture[14].Furthermore,alcoholsserveTheSTMexperimentswerecarri
8、edoutinanUHVasmodelmoleculestostudytheefficienciesandmecha-cha
