过渡金属硫化物氢析出催化剂的结构设计与性能优化.pdfVIP

过渡金属硫化物氢析出催化剂的结构设计与性能优

化

Abstract:

Transitionmetalsulfides(TMS)haveattractedsignificantinterest

ashydrogenevolutionreaction(HER)catalystsduetotheirunique

electronicandstructuralproperties.Inthisstudy,wediscussthe

structuraldesignandperformanceoptimizationofTMScatalystsfor

HER.

Introduction:

Thedevelopmentofefficientandcost-effectivecatalystsforthe

hydrogenevolutionreaction(HER)isofparamountimportancefor

realizingthelarge-scaleutilizationofrenewableenergysourcessuchas

waterelectrolysisandfuelcells.Transitionmetalsulfides(TMS)have

emergedaspromisingcandidatesforHERcatalystsduetotheir

abundance,lowcost,andtunableproperties.

StructuralDesign:

TheatomicstructureofTMScatalystsplaysacrucialrolein

determiningtheircatalyticactivity.Oneapproachtoimprovethe

structuraldesignisthroughthecontrolofphasecompositionand

morphology.Forexample,ithasbeendemonstratedthatthecrystal

structureofTMScanbemanipulatedbytuningthesynthesisconditions,

suchastemperature,reactiontime,andprecursorconcentration.By

controllingtheseparameters,thedesiredcrystalstructureand

morphologycanbeobtained,leadingtoenhancedcatalytic

performance.

Anotheraspectofstructuraldesignistheincorporationof

heteroatomsordefectengineering.DopingTMSwithheteroatomssuch

asnitrogenorphosphoruscanmodifytheelectronicstructureand

surfacechemistryofthecatalyst,leadingtoimprovedHERactivity.

Additionally,theintroductionofdefectscancreateactivesitesforHER

byenhancingtheadsorptionandactivationofhydrogenmolecules.

PerformanceOptimization:

TheperformanceofTMScatalystsforHERcanbefurther

optimizedthroughvariousstrategies.Firstly,increasingtheactive

surfaceareaofthecatalystisessentialtoenhancetheelect