First-principles study of intrinsic and hydrogen point defects in the earth-abundant photovoltaic absorber Zn<sub>3</sub>P<sub>2</sub>-Reference-Cited by-同舟云学术

First-principles study of intrinsic and hydrogen point defects in the earth-abundant photovoltaic absorber Zn₃P₂

Published:2023 Issue:38 Volume:11 Page:20592-20600
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Yuan Zhenkun¹^ORCID,Xiong Yihuang¹^ORCID,Hautier Geoffroy¹^ORCID

Affiliation:

1. Thayer School of Engineering, Dartmouth College, Hanover, New Hampshire 03755, USA

Abstract

The shallow VZn acceptors are proposed as the source for p-type doping in the Zn3P2 solar absorber. Not only VZn but also deep-level defects PZn and Pi have increased concentrations in non-stoichiometric, P-rich Zn3P2.

Funder

National Energy Research Scientific Computing Center

Basic Energy Sciences

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/2023/TA/D3TA03697A

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