摘要
Step-edge-inducednucleationplaysakeyroleincontrollingthegrowthofnovelnanostructuresandlow-dimensionalmaterials.However,itisdifficulttoexperimentallydeterminethestepedgestructuresofcomplexmetaloxides.Inthiswork,wepresentadetailedtheoreticalstudyofthestabilityofstoichiometTicstepsonsapphire(OOOl).Basedonfirst-principlescalculationsandexcesschargecomputationbyFinnis1approach,apairofnon-polarstepedgesaredeterminedtobethemoststable.BystudyingtheadsorptioncharacteristicsofZnOandcombiningpreviousworks,wesuccessfullyexplainedhowgrowthtemperatureanddepositionrateaffectthein-planeorientationofZnOgrownonsapphire(OOOl).Theknowledgeonthestepedgestructuresandnucleationpatternswouldbenefitthestudyonstep-edge-guidednanostructuregrowth.
出版日期
2019年02月12日（中国期刊网平台首次上网日期，不代表论文的发表时间）
