Tuning the binding energy of excitons in the MoS2 monolayer by molecular functionalization and defective engineering
Author:
Affiliation:
1. Institut für Chemie und Biochemie
2. Freie Universität Berlin
3. 14195 Berlin
4. Germany
Abstract
Using the DFT-GW-BSE method, we analyze how the electronic band gap, optical absorption spectrum and exciton binding energy of the MoS2 monolayer are influenced by NO and C3H3N3 molecules and S-defects.
Funder
China Scholarship Council
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01239D
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