Efficient modelling of ion structure and dynamics in inorganic metal halide perovskites-Reference-Cited by-同舟云学术

Efficient modelling of ion structure and dynamics in inorganic metal halide perovskites

Published:2020 Issue:23 Volume:8 Page:11824-11836
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Balestra Salvador R. G.¹²³⁴^ORCID,Vicent-Luna Jose Manuel⁵⁶⁷⁸⁹^ORCID,Calero Sofia¹²³⁴^ORCID,Tao Shuxia⁵⁶⁷⁸⁹^ORCID,Anta Juan A.¹²³⁴^ORCID

Affiliation:

1. Área de Química Física

2. Universidad Pablo de Olavide

3. 41013 Seville

4. Spain

5. Center for Computational Energy Research

6. Department of Applied Physics

7. Eindhoven University of Technology

8. Eindhoven

9. The Netherlands

Abstract

Inorganic metal halide perovskites are nowadays one of the most studied semiconductors. Using quantum calculations as reference data, we have employed a genetic algorithm to develop a force field to study ion migrations and lattice dynamics.

Funder

Agencia de Innovación y Desarrollo de Andalucía

Ministerio de Economía, Industria y Competitividad, Gobierno de España

Ministerio de Ciencia e Innovación

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

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/2020/TA/D0TA03200J

Reference86 articles.

1. Best Research-Cell Efficiency Chart|Photovoltaic Research|NREL, https://www.nrel.gov/pv/cell-efficiency.html , accessed 4 September 2019

2. Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells

3. Perovskites: The Emergence of a New Era for Low-Cost, High-Efficiency Solar Cells

4. Organometal Perovskite Light Absorbers Toward a 20% Efficiency Low-Cost Solid-State Mesoscopic Solar Cell

5. Intriguing Optoelectronic Properties of Metal Halide Perovskites

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