A chemical-bond-driven edge reconstruction of Sb nanoribbons and their thermoelectric properties from first-principles calculations

Author:

Shen Jin-Ni12345ORCID,Fang Yi1234,Lin Zi-Xiong6784,Xie Tian-Zhu1234,Zhang Yong-Fan924ORCID,Wu Li-Ming910114ORCID

Affiliation:

1. College of Materials Science and Engineering

2. Fuzhou University

3. Fujian 350108

4. People's Republic of China

5. Key Laboratory of Eco-materials Advanced Technology (Fuzhou University)

6. Fujian Institute of Research on the Structure of Matter

7. Chinese Academy of Sciences

8. Fuzhou

9. Department of Chemistry

10. Beijing Normal University

11. Beijing

Abstract

Chemical-bond-driven edge reconstruction of Sb nanoribbons is energetically favorable and helps to stabilize the whole structure. All the nanoribbons are semiconducting, and their thermoelectric properties are enhanced significantly by the edge reconstruction.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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