Raman and IR spectra of water under graphene nanoconfinement at ambient and extreme pressure–temperature conditions: a first-principles study-Reference-Cited by-同舟云学术

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Raman and IR spectra of water under graphene nanoconfinement at ambient and extreme pressure–temperature conditions: a first-principles study

Published:2024 Issue: Volume: Page:
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Hou Rui¹²^ORCID,Li Chu¹²^ORCID,Pan Ding¹³²^ORCID

Affiliation:

1. Department of Physics, Hong Kong University of Science and Technology, Hong Kong, China

2. HKUST Shenzhen-Hong Kong Collaborative Innovation Research Institute, Shenzhen, China

3. Department of Chemistry, Hong Kong University of Science and Technology, Hong Kong, China

Abstract

We compute the Raman and IR spectra of water nanoconfined by graphene at ambient and extreme pressure–temperature conditions using ab initio simulations.

Funder

National Natural Science Foundation of China

Croucher Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2024/FD/D3FD00111C

Reference38 articles.

1. Structure and Dynamics of Confined C-O-H Fluids Relevant to the Subsurface: Application of Magnetic Resonance, Neutron Scattering, and Molecular Dynamics Simulations

2. The structure and composition of olivine grain boundaries: 40 years of studies, status and current developments

3. Nanoconfinement facilitates reactions of carbon dioxide in supercritical water

4. Confinement-Controlled Aqueous Chemistry within Nanometric Slit Pores

5. Anomalously low dielectric constant of confined water

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