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个人信息Personal Information
教授
博士生导师
硕士生导师
主要任职：大连理工大学白俄罗斯国立大学联合学院副院长
性别：男
毕业院校：大连理工大学
学位：博士
所在单位：物理学院
学科：凝聚态物理
办公地点：中白学院252
电子邮箱：gaojf@dlut.edu.cn
Modulating the electronic properties of perovskite via sigma-pi interfacial interactions: Acomputational study
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论文类型：期刊论文
发表时间：2018-11-01
发表刊物：APL MATERIALS
收录刊物：SCIE
卷号：6
期号：11
ISSN号：2166-532X
摘要：By means of density functional theory computations, we comprehensively investigated the stability and electronic properties of the hybrid CH3NH3PbI3 (methylammonium lead iodide, MAPI)/graphene heterojunctions, where the MAPI layer was adopted with MAT (methylammonium iodide)-terminations. Our computations demonstrated that the sigma-pi interfacial interactions make the contact very stable, and such interactions lead to charge redistribution and concomitant internal electric field in the interface, which is beneficial for the electron-hole separation. (C) 2018 Author(s).