Defect formation and healing at grain boundaries in lead-halide perovskites-Reference-Cited by-同舟云学术

Defect formation and healing at grain boundaries in lead-halide perovskites

Published:2022 Issue:46 Volume:10 Page:24854-24865
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Kaiser Waldemar¹^ORCID,Hussain Kashif²³^ORCID,Singh Ajay⁴^ORCID,Alothman Asma A.⁵,Meggiolaro Daniele¹,Gagliardi Alessio²,Mosconi Edoardo¹⁵^ORCID,De Angelis Filippo¹⁶^ORCID

Affiliation:

1. Computational Laboratory for Hybrid/Organic Photovoltaics (CLHYO), Istituto CNR di Scienze e Tecnologie Chimiche “Giulio Natta” (CNR-SCITEC), Via Elce di Sotto 8, Perugia 06123, Italy

2. Department of Electrical and Computer Engineering, Technical University of Munich, Hans-Piloty-Straße 1, 85748 Garching, Germany

3. Department of Electrical Engineering, Sukkur IBA University, Sukkur 65200, Pakistan

4. Department of Physics and Materials Science, University of Luxembourg, Luxembourg L-1511, Luxembourg

5. Department of Chemistry, College of Science, King Saud University, P.O. Box 22452, Riyadh 11495, Kingdom of Saudi Arabia

6. Department of Chemistry, Biology and Biotechnology, University of Perugia and UdR INSTM, Via Elce di Sotto 8, Perugia 06123, Italy

Abstract

First-principles simulations reveal the competition of defect formation and healing at grain boundaries in lead-halide perovskites. Fast halide migration at GBs mediates structural healing, but also gives rise to enhanced Frenkel defect formation.

Funder

King Saud University

Horizon 2020 Framework Programme

Deutsche Forschungsgemeinschaft

Ministero dell’Istruzione, dell’Università e della Ricerca

Università degli Studi di Perugia

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/TA/D2TA06336K