Solid-state chemistry of glassy antimony oxides

Author:

Kim Chang-Eun1234,Skelton Jonathan M.5678,Walsh Aron12345,Soon Aloysius1234

Affiliation:

1. Global E3 Institute and Department of Materials Science and Engineering

2. Yonsei University

3. Seoul

4. Korea

5. Centre for Sustainable Chemical Technologies and Department of Chemistry

6. University of Bath

7. Bath

8. UK

Abstract

Using hybrid density-functional theory (DFT) and ab initio molecular dynamics, we calculate and characterize glassy amorphous antimony oxides in elevated oxygen environments, and provide information on how their atomic and electronic structures change as a function of their oxygen environment.

Funder

Engineering and Physical Sciences Research Council

National Research Foundation of Korea

Korea Institute of Science and Technology Information

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

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