资源描述：
《The dehydrogenation mechanism during the incubation period in nanocrystalline MgH2》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、PCCPViewArticleOnlinePAPERViewJournalThedehydrogenationmechanismduringtheincubationperiodinnanocrystallineMgH2†Citethis:DOI:10.1039/c6cp07926aApurvaShantilalGangrade,AkhilAdityaVarma,NikhilKishorGor,SwetaShriniwasanandSankaraSarmaV.Tatiparti*Thedehydrogenationmechanismd
2、uringtheincubationperiodinnanocrystallineMgH2(lowa:convertedmetalfractionandda/dt)andthereasonsfortheoccurrenceoftheincubationperiodat320,350,and4001Cwereinvestigated.Pre-existingMgcrystallitescanenhanceMgnucleationduringtheincubationperiod,assuggestedbytheestimatedacti
3、vationenergyfornucleation(122kJpermolH).ThereleasedH-atomsenterMgH2asinterstitials,asindicatedbytheMgH2unit-cellcontraction,resultinginincreasedReceived20thNovember2016,equatorialMg–Hbondlength,decreasedcharge-densitydistributionintheinterstitialregion,asobservedAccept
4、ed26thJanuary2017fromthecharge-densitymaps,anddecreasedH–Hdistanceinthe{001}planeuptothemidwayoftheDOI:10.1039/c6cp07926aincubationperiod.Eventually,hydrogenvacanciesarecreated,asindicatedbytheredshiftintheEgandA1gpeaksofRamanspectra.Thehighestimatedactivationenergyfort
5、hegrowthofMg(2098kJpermolH)rsc.li/pccprendersitdifficultandexplainsthereasonforthepresenceofanincubationperiod.131.Introductionreported.Interestingly,inarecentstudybyCaietal.,theformationofMgcrystallitesduringtheincubationperiodinMgH2isapromisingcandidateforhydrogensto
6、rage,duetoitsnanocrystallineMgH2at3001Cwasreported;however,inthishighgravimetriccapacity(B7.6wt%H2)forrealizingthestudy,thereasonfortheformationofMgduringincubationis1,2hydrogeneconomy.However,itsapplicationishinderedbyunknown.Notethatitwasobservedfromtheresultsofboth12
7、13thehighenthalpyofformation(76kJpermolH2)andpoorEvardetal.andCaietal.thathydrogenwasnotreleasedat3,41213kinetics,requiring44001CatPH=1bar.Particularly,the4001C,butat3001C.Thisclearlyindicatesthattemperature25dehydrogenationofMgH2issluggishandisoftencomplicatedalone(pr
8、essurebeingnegligibleinboththecases)doesnotsinceitdependsonthenatureoftheparticle(nano/microcrystalline,contri
