Band alignments and heterostructures of monolayer transition metal trichalcogenides MX3 (M = Zr, Hf; X = S, Se) and dichalcogenides MX2 (M = Tc, Re; X=S, Se) for solar applications-Reference-Cited by-同舟云学术

Band alignments and heterostructures of monolayer transition metal trichalcogenides MX3 (M = Zr, Hf; X = S, Se) and dichalcogenides MX2 (M = Tc, Re; X=S, Se) for solar applications

Published:2018 Issue:7 Volume:10 Page:3547-3555
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Zhao Qiyi¹²³⁴⁵,Guo Yaohui¹²³⁴⁵,Zhou Yixuan¹²³⁴⁵,Yao Zehan¹²³⁴⁵,Ren Zhaoyu¹²³⁴⁵,Bai Jintao¹²³⁴⁵,Xu Xinlong¹²³⁴⁵^ORCID

Affiliation:

1. Shaanxi Joint Lab of Graphene

2. State Key Lab Incubation Base of Photoelectric Technology and Functional Materials

3. International Collaborative Center on Photoelectric Technology and Nano Functional Materials

4. Institute of Photonics & Photon-Technology

5. Northwest University

Abstract

The band gaps and work functions of monolayer IVB-VIA 2D TMTs MX₃ and VIIB-VIA 2D TMDs MX₂ are calculated and their band alignments and the relevant physical origins of the band alignments are investigated.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Shaanxi Province

Education Department of Shaanxi Province

Shaanxi University of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2018/NR/C7NR08413G

Reference61 articles.