Large scale atomistic simulation of single-layer graphene growth on Ni(111) surface: molecular dynamics simulation based on a new generation of carbon

Large scale atomistic simulation of single-layer graphene growth on Ni(111) surface: molecular dynamics simulation based on a new generation of carbon–metal potential

Published:2016 Issue:2 Volume:8 Page:921-929
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Xu Ziwei¹²³,Yan Tianying⁴⁵⁶⁷,Liu Guiwu¹²³,Qiao Guanjun¹²³,Ding Feng⁸⁹¹⁰

Affiliation:

1. School of Materials Science & Engineering

2. Jiangsu University

3. Zhenjiang 212013, Peoples Republic of China

4. Institute of New Energy Material Chemistry

5. Collaborative Innovation Center of Chemical Science and Engineering (Tianjin)

6. Nankai University

7. Tianjin 300071, Peoples Republic of China

8. Institute of Textiles and Clothing

9. Hong Kong Polytechnic University

10. Hung Hom, China

Abstract

A molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential and atomistic details.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2016/NR/C5NR06016H

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