The effect of pressure on the structural, electronic and vibrational properties of solid carbon dioxide phases-Reference-Cited by-同舟云学术

The effect of pressure on the structural, electronic and vibrational properties of solid carbon dioxide phases

Published:2022 Issue: Volume: Page:
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Wen-Guang¹,Gan Yun-Dan²,Bai Zhi-Xin¹,Li Xing-Han¹,Liu Fu-Sheng¹,Liu Zheng-Tang³,Liu Qi-Jun¹^ORCID,Hong Dan¹,Chang Xiang-Hui¹^ORCID

Affiliation:

1. Bond and Band Engineering Group, School of Physical Science and Technology, Southwest Jiaotong University, Chengdu 610031, People's Republic of China

2. Xi’an Modern Chemistry Research Institute, Xi’an 710065, People's Republic of China

3. State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi’an 710072, People's Republic of China

Abstract

The effect of pressure causes the band gap of solid carbon dioxide to increase first and then decrease. This work explains this phenomenon in terms of charge density and atomic orbitals.

Funder

National Natural Science Foundation of China

Fundamental Research Funds for the Central Universities

National Key Laboratory of Shockwave and Detonation Physics

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04421D

Reference43 articles.

1. Structure, Bonding, and Mineralogy of Carbon at Extreme Conditions

2. Structural Evolution of Carbon Dioxide under High Pressure

3. The compression of solid CO2 at 296 K to 10 GPa

4. Crystal Structure of the High-Pressure Phase of Solid CO 2

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