The pressure induced phase diagram of double-layer ice under confinement: a first-principles study-Reference-Cited by-同舟云学术

The pressure induced phase diagram of double-layer ice under confinement: a first-principles study

Published:2022 Issue:27 Volume:24 Page:16647-16654
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Jyothirmai M. V.¹^ORCID,Abraham B. Moses¹^ORCID,Singh Jayant K.¹²^ORCID

Affiliation:

1. Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur 208016, India

2. Prescience Insilico Private Limited, Bangalore 560049, India

Abstract

Here, we present double-layer ice confined within various carbon nanotubes (CNTs) using state-of-the-art pressure induced (−5 GPa to 5 GPa) dispersion corrected density functional theory (DFT) calculations.

Funder

Science and Engineering Research Board

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/D2CP01470J

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