Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations-Reference-Cited by-同舟云学术

Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations

Published:2019 Issue:6 Volume:7 Page:1630-1640
ISSN:2050-7526
Container-title:Journal of Materials Chemistry C
language:en
Short-container-title:J. Mater. Chem. C

Author:

Li Xiaojun¹²³⁴⁵^ORCID,Li Shikun⁶⁷⁸⁹

Affiliation:

1. School of Science

2. Xi’an University of Posts and Telecommunications

3. Xi’an 710121

4. P. R. China

5. School of Chemical Engineering

6. Institute of Applied and Physical Chemistry

7. University of Bremen

8. Bremen D-28359

9. Germany

Abstract

Novel carbon-based nonlinear optical (NLO) materials were designed by doping single alkali metal atoms into the surface of graphdiyne (GDY), rather than graphene and graphyne, because AM@GDY (AM = Li, Na, K) possesses an exceptionally high first hyperpolarizability (β_tot), especially in the case of K@GDY.

Funder

Natural Science Foundation of Shaanxi Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/TC/C8TC05392H

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1. Calculations of Linear and Nonlinear Optical Properties of H−Silsesquioxanes

2. Effect of Sn substitution on the structure, morphology and photoelectricity properties of high c-axis oriented CuFe1−xSnxO2 thin film