First-principle studyonAg-2Nheavycodopedof p-type graphene-likeZnOnanosheet
发布时间：2025-04-30
点击次数：
- 发布时间：
- 2025-04-30
- 论文名称：
- First-principle studyonAg-2Nheavycodopedof p-type graphene-likeZnOnanosheet
- 发表刊物：
- Solid StateCommunications
- 摘要：
- In thisarticle,twodifferentAg-2Nheavycodopedofgraphene-likeZnOnanosheetshavebeen
investigatedbasedon first-principles density-functionaltheory.Thegeometricoptimization,Density
of States(DOS)andBandstructure(BS)forallmodelsarecalculated,respectively.Theresultsindicate
that Agsubstitutedonthecationsite(AgZn) exhibitastrongattractiveinteractionwithanitrogen
acceptorlocatedatthenearest-neighboroxygensite,formingpassiveAg-Ncomplex.Thisstudycanbea
theoretical guidancetoimprovetheelectricalconductivityof p-type graphene-likeZnOnanosheetby
heavycodoping.
- 合写作者：
- W.X.Zhang , T.Li,C.He*
- 卷号：
- 204,47-50
- 页面范围：
- 47-50
- 是否译文：
- 否
- 发表时间：
- 2015-01-07