First-principles calculations of iodine-related point defects in CsPbI3-Reference-Cited by-同舟云学术

First-principles calculations of iodine-related point defects in CsPbI3

Published:2019 Issue:15 Volume:21 Page:7841-7846
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Evarestov Robert A.¹²³⁴^ORCID,Senocrate Alessandro⁵⁶⁷⁸⁹^ORCID,Kotomin Eugene A.⁵⁶⁷¹⁰¹¹^ORCID,Maier Joachim⁵⁶⁷^ORCID

Affiliation:

1. Institute of Chemistry

2. St. Petersburg State University

3. Petrodvorets

4. Russia

5. Max Planck Institute for Solid State Research

6. Stuttgart

7. Germany

8. École Polytechnique Fédérale de Lausanne

9. Switzerland

10. Institute of Solid State Physics

11. University of Latvia

Abstract

We present here first principles hybrid functional calculations of the atomic and electronic structure of several iodine-related point defects in CsPbI₃, a material relevant for photovoltaic applications.

Funder

Latvijas Zinātnes Padome

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP00414A

Reference51 articles.

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4. Inorganic caesium lead iodide perovskite solar cells

5. Intrinsic Point Defects in Inorganic Cesium Lead Iodide Perovskite CsPbI3

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