Formation of intrinsic and silicon defects in MoO3 under varied oxygen partial pressure and temperature conditions: an ab initio DFT investigation-Reference-Cited by-同舟云学术

Formation of intrinsic and silicon defects in MoO3 under varied oxygen partial pressure and temperature conditions: an ab initio DFT investigation

Published:2017 Issue:85 Volume:7 Page:53810-53821
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Lambert D. S.¹²³⁴^ORCID,Murphy S. T.⁵⁶⁷⁸,Lennon A.¹²³⁴,Burr P. A.⁹²³⁴^ORCID

Affiliation:

1. School of Photovoltaics and Renewable Energy Engineering

2. The University of New South Wales

3. Sydney

4. Australia

5. Department of Engineering

6. Lancaster University

7. Lancaster

8. UK

9. School of Electrical Engineering and Telecommunications

Abstract

DFT simulations predict how varied MoO₃ preparation conditions could change intrinsic defect concentrations and avoid silicon contamination in photovoltaic applications.

Funder

National Computational Infrastructure

Australian Nuclear Science and Technology Organisation

UNSW

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2017/RA/C7RA10690D

Reference92 articles.

1. Reversible Lithium-Ion Insertion in Molybdenum Oxide Nanoparticles

2. Composite of few-layer MoO3nanosheets with graphene as a high performance anode for sodium-ion batteries

3. Theoretical design of MoO3-based high-rate lithium ion battery electrodes: the effect of dimensionality reduction

4. A novel pseudocapacitance mechanism of elm seed-like mesoporous MoO3−x nanosheets as electrodes for supercapacitors

5. Low-cost and high energy density asymmetric supercapacitors based on polyaniline nanotubes and MoO3 nanobelts

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