简介:Inordertodeepentheunderstandingoftherelationshipbetweenfundamentalproperties(including:microstructureandcomposition)andphotocatalyticperformance,fourbismuthatecompounds,including:LiBiO3,NaBiO3,KBiO3,andAgBiO3,areregardedasresearchexamplesinthepresentwork,becausetheyhaveparticularcrystalstructuresandsimilarcompositions.Usingdensityfunctionaltheorycalculations,theirstructural,electronic,andopticalpropertiesareinvestigatedandcomparedsystematically.Firstofall,thecalculatedresultsofcrystalstructuresandopticalpropertiesareinagreementwithavailablepublishedexperimentaldata.Basedonthecalculatedresults,itisfoundthatthetunneledorlayeredmicro-structuralpropertiesleadtothestrongerinteractionbetweenbismuthandoxygen,andtheweakerinteractionbetweenalkaline-earthmetaland[BiO6]octahedron,resultinginthefeatureofmulti-bandgapsinthecasesofLiBiO3,NaBiO3,andKBiO3.ThisconclusionissupportedbythecaseofAgBiO3,inwhichthefeatureofmulti-bandgapsdisappears,duetothestrongerinteractionbetweenthenoblemetaland[BiO6]octahedron.Thesepropertieshavesignificantadvantagesinthephotocatalyticperformance:absorbinglowenergyphotons,rapidlytransferringenergycarriers.Furthermore,thefeaturesofelectronicstructuresofbismuthatecompoundsarewellreflectedbytheabsorptionspectra,whichcouldbeconfirmedbyexperimentalmeasurementsinpractice.Combinedwiththecalculatedresults,itcouldbeconsideredthatthecrystalstructuresandcompositionsofthephotocatalystdeterminetheelectronicstructuresandopticalproperties,andsubsequentlydeterminethecorrespondingphotocatalyticperformance.Thus,anovelBi-basedphotocatalystdrivenbyvisible-lightcouldbedesignedbyutilizingspecificcompositionstoformfavorableelectronicstructuresorspecificmicro-structurestoformabeneficialchannelforenergycarriers.
简介:K1,k┐FACTORIZATIONOFBIPARTITEGRAPHSDUBEILIANGAbstract.Inthispaper,anecessaryconditionforabipartitegraphλKm,ntobeK1,k-factoriz...
简介:SupposethatCisthecomplexplaneandkisanon-negativeinteger.DefinefunctionsNk-(x)=|x|kifkisevenandNk(x)=x|x|k-1ifkisodd.SomeapproximationpropertiesofNk-(x)’sisdiscussedandanewexampleofaTchebycheffsystemisgivenout.
简介:1-17 Vibrational Properties of Na_n1-17VibrationalPropertiesofNa_n¥ZhangFengsllou;E.SuraudlandR.GlowinskiZItisknownthatsmallso...