Giant enhancement of electronic polarizability and the first hyperpolarizability of fluoride-decorated graphene versus graphyne and graphdiyne: insights from ab initio calculations
Author:
Affiliation:
1. School of Science
2. Xi’an University of Posts and Telecommunications
3. Xi’an 710121
4. P. R. China
5. School of Life Science and Technology
6. Inner Mongolia University of Science and Technology
7. Baotou 014010
Abstract
An effective strategy based on the adsorption of alkali-metal fluorides on graphene, graphyne, and graphdiyne is presented for exploring the strong electro-optical properties, which are correlated with the TDDFT two-level model.
Funder
Natural Science Foundation of Shaanxi Province
National Natural Science Foundation of China
Natural Science Foundation of Inner Mongolia
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01118H
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