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1、Mater.Res.Soc.Symp.Proc.Vol.1282©2011MaterialsResearchSocietyDOI:10.1557/opl.2011.438SimulationsofCVDDiamondFilmGrowth:2DModelsfortheidentitiesandconcentrationsofgas-phasespeciesadsorbingonthesurface12PaulW.MayandYuriA.Mankelevich1SchoolofChemistry,Universityof
2、Bristol,Bristol,BS81TS,UnitedKingdom.2Skobel’tsynInstituteofNuclearPhysics,MoscowStateUniversity,Leninskiegory,Moscow119991,Russia.ABSTRACTAprerequisiteformodellingthegrowthofdiamondbyCVDisknowledgeoftheidentitiesandconcentrationsofthegas-phasespecieswhichimpac
3、tuponthegrowingdiamondsurface.Twomethodshavebeendevisedfortheestimationofthisinformation,andhavebeenusedtodetermineadsorptionratesforCxHyhydrocarbonsforprocessconditionsthatexperimentallyproducesingle-crystaldiamond,microcrystallinediamondfilms,nanocrystallined
4、iamondfilmsandultrananocrystallinediamondfilms.Bothmethodsrelyonadaptingapreviouslydevelopedmodelforthegas-phasechemistryoccurringinahotfilamentormicrowaveplasmareactor.Usingthesemethods,theconcentrationsofmostoftheCxHyradicalspecies,withtheexceptionofCH3,atthe
5、surfacehavebeenfoundtobeseveralordersofmagnitudesmallerthanpreviouslybelieved.InmostcasestheselowconcentrationssuggestthatreactionssuchasdirectinsertionofC1Hy(y=0-2)and/orC2intosurfaceC–HorC–Cbondscanbeneglectedandthatsuchspeciesdonotcontributesignificantlytoth
6、ediamondgrowthprocessinthereactorsunderstudy.INTRODUCTIONChemicalvapordeposition(CVD)ofdiamondisamaturingtechnologythatisbeginningtofindmanycommercialapplicationsinelectronics,cuttingtools,medicalcoatingsandoptics[1].TheCVDprocessusuallyinvolvesthegas-phaseacti
7、vationofagasmixturecontainingasmallquantityofahydrocarboninexcesshydrogen[2].Atypicalgasmixtureusesafew%CH4inH2(plussometimesadditionalArorN2),anddependinguponthegrowthconditionsthisproducespolycrystallinefilmswithgrainsizesfrom~5nmtomm.Filmswithgrainsizeslesst
8、han10-20nmareoftencalledultrananocrystallinediamond(UNCD)films;thosewithgrainsizesafew10sor100sofnmarenanocrystallinediamond(NCD);thosewithgrainsizesmicronsortensofmicronsar