Computational approaches to enhance charge transfer and stability in TPBi–(PEA)<sub>2</sub>PbI<sub>4</sub> perovskite interfaces through molecular orientation optimization-Reference-Cited by-同舟云学术

Computational approaches to enhance charge transfer and stability in TPBi–(PEA)₂PbI₄ perovskite interfaces through molecular orientation optimization

Published:2024 Issue:16 Volume:6 Page:4149-4159
ISSN:2516-0230
Container-title:Nanoscale Advances
language:en
Short-container-title:Nanoscale Adv.

Author:

Naqvi Syed Muhammad Kazim Abbas¹²^ORCID,Zhu Yanan²^ORCID,Long Hui²³,Nazir Zahid²,Vasiliev Roman B.³^ORCID,Kulakovich Olga⁴^ORCID,Chang Shuai²^ORCID

Affiliation:

1. School of Materials Science & Engineering, Beijing Institute of Technology, Beijing 100081, China

2. Platform for Applied Nanophotonics, Faculty of Materials Science, Shenzhen MSU-BIT University, Shenzhen 518115, China

3. Department of Materials Science, Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia

4. Institute of Physics of the National Academy of Sciences of Belarus, Minsk 220072, Belarus

Abstract

Computational studies reveal the optimized range of TPBi molecule orientations for enhanced binding stability and improved charge transfer kinetics at the TPBi–(PEA)2PbI4 interface.

Funder

National Natural Science Foundation of China

Shenzhen Fundamental Research Program

State Key Laboratory of Explosion Science and Technology

Foundation for Distinguished Young Talents in Higher Education of Guangdong

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NA/D4NA00186A

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