Effects of Transition Metal Substituents on Interfacial and Electronic Structure of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>/TiO<sub>2</sub> Interface: A First-Principles Comparative Study

Effects of Transition Metal Substituents on Interfacial and Electronic Structure of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>/TiO<sub>2</sub> Interface: A First-Principles Comparative Study

To evaluate the influence of transition metal substituents on the characteristics of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>/TiO<sub>2</sub>, we investigated the geometrical and electronic properties of transition metal-substituted CH<sub>3&l...

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Bibliographic Details
Main Authors: Yao Guo, Yuanbin Xue, Xianchang Li, Chengbo Li, Haixiang Song, Yongsheng Niu, Hu Liu, Xianmin Mai, Jiaoxia Zhang, Zhanhu Guo
Format: Article
Language:English
Published: MDPI AG 2019-07-01
Series:Nanomaterials
Subjects:
organic-inorganic perovskites
interface
first-principles calculations
Online Access:https://www.mdpi.com/2079-4991/9/7/966

Internet

https://www.mdpi.com/2079-4991/9/7/966

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