Hydrogenated derivatives of hexacoordinated metallic Cu2Si monolayer
Author:
Affiliation:
1. Department of Physics
2. Izmir Institute of Technology
3. Izmir
4. Turkey
5. Department of Photonics
6. ICTP-ECAR Eurasian Center for Advanced Research
Abstract
Herein, we carried out first-principles calculations based on density functional theory to investigate the effects of surface functionalization with hydrogen atoms on structural, dynamical and electronic properties of Cu2Si monolayer.
Funder
Türkiye Bilimsel ve Teknolojik Araştirma Kurumu
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2018/RA/C8RA07824F
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1. Prediction of two-dimensional Cu2C with polyacetylene-like motifs and Dirac nodal line;Physical Review Materials;2021-03-12
2. Emergence of superconductivity in a Dirac nodal-line Cu2Si monolayer: ab initio calculations;Journal of Materials Chemistry C;2019
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