Insight into anomalous hydrogen adsorption on rare earth metal decorated on 2-dimensional hexagonal boron nitride: a density functional theory study
Author:
Affiliation:
1. School of Minerals, Metallurgical and Materials Engineering
2. Indian Institute of Technology Bhubaneswar
3. India
4. Centre of Excellence for Novel Energy Materials
5. School of Basic Sciences
Abstract
The central rare earth cerium atom and underlying apolar B–N bonds in two-dimensional hexagonal boron nitride facilitate a unique arrangement of hydrogen molecules which leads to fairly strong adsorption of eight hydrogen molecules per metal atom.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA01835J
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