期刊
APPLIED SURFACE SCIENCE
卷 443, 期 -, 页码 176-183出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.apsusc.2018.02.251
关键词
Halide perovskite surface; Additives; First principles
类别
资金
- Nanjing University of Information Science and Technology (NUIST) Startup Fund
- Natural Science Fund for Colleges and Universities in Jiangsu Province [16KJB150027, 16KJB150026]
- National Natural Science Foundation of China [51702165]
- Jiangsu Province Double Plan [R2016SCB02]
- Jiangsu Provincial Natural Science Foundation [BK20160942, BK20160941]
Organic additives, such as the Lewis base thiophene, have been successfully applied to passivate halide perovskite surfaces, improving the stability and properties of perovskite devices based on CH3NH3PbI3. Yet, the detailed nanostructure of the perovskite surface passivated by additives and the mechanisms of such passivation are not well understood. This study presents a nanoscopic view on the interfacial structure of an additive/perovskite interface, consisting of a Lewis base thiophene molecular additive and a lead halide perovskite surface substrate, providing insights on the mechanisms that molecular additives can passivate the halide perovskite surfaces and enhance the perovskite-based device performance. Molecular dynamics study on the interactions between water molecules and the perovskite surfaces passivated by the investigated additive reveal the effectiveness of employing the molecular additives to improve the stability of the halide perovskite materials. The additive/perovskite surface system is further probed via molecular engineering the perovskite surfaces. This study reveals the nanoscopic structure-property relationships of the halide perovskite surface passivated by molecular additives, which helps the fundamental understanding of the surface/interface engineering strategies for the development of halide perovskite based devices. (C) 2018 Elsevier B.V. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据