Diabatic Hamiltonian construction in van der Waals heterostructure complexes-Reference-Cited by-同舟云学术

Diabatic Hamiltonian construction in van der Waals heterostructure complexes

Published:2019 Issue:48 Volume:7 Page:27484-27492
ISSN:2050-7488
Container-title:Journal of Materials Chemistry A
language:en
Short-container-title:J. Mater. Chem. A

Author:

Xie Yu¹²³⁴⁵^ORCID,Sun Huijuan⁶⁷⁸⁹^ORCID,Zheng Qijing¹⁰¹¹¹²¹³⁹^ORCID,Zhao Jin¹⁰¹¹¹²¹³⁹^ORCID,Ren Hao¹⁴¹⁵⁸⁹^ORCID,Lan Zhenggang¹²³⁴⁵^ORCID

Affiliation:

1. SCNU Environmental Research Institute

2. Guangdong Provincial Key Laboratory of Chemical Pollution and Environmental Safety

3. MOE Key Laboratory of Theoretical Chemistry of Environment

4. South China Normal University

5. Guangzhou 510006

6. College of Physics

7. Qingdao University

8. Qingdao

9. China

10. Department of Physics

11. Hefei National Laboratory for Physical Sciences at Microscale

12. University of Science and Technology of China

13. Hefei

14. School of Materials Science and Engineering

15. China University of Petroleum (East China)

Abstract

A diabatization method is developed for the description of the photoinduced charge separation/transfer processes in van der Waals heterostructures, which is based on the wavefunction projection approach using a plane wave basis set in the single-particle picture.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/TA/C9TA09434B

Reference113 articles.

1. Van der Waals heterostructures

2. Engineering graphene and TMDs based van der Waals heterostructures for photovoltaic and photoelectrochemical solar energy conversion

3. Ultrafast dynamics in van der Waals heterostructures