Simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model
The multimode Brownian oscillator model is employed to simulate the emission spectra of transition metal dichalcogenide (TMD) monolayers. Good agreement is obtained between measured and simulated photoluminescence spectra of WSe2, WS2, MoSe2, and MoS2 at various temperatures. The Huang-Rhys factor e...
| Main Authors: | , , |
|---|---|
| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
| Published: |
2022
|
| Subjects: | |
| Online Access: | https://hdl.handle.net/10356/157798 |
| _version_ | 1826110226877644800 |
|---|---|
| author | Shen, Kaijun Sun, Kewei Zhao, Yang |
| author2 | School of Materials Science and Engineering |
| author_facet | School of Materials Science and Engineering Shen, Kaijun Sun, Kewei Zhao, Yang |
| author_sort | Shen, Kaijun |
| collection | NTU |
| description | The multimode Brownian oscillator model is employed to simulate the emission spectra of transition metal dichalcogenide (TMD) monolayers. Good agreement is obtained between measured and simulated photoluminescence spectra of WSe2, WS2, MoSe2, and MoS2 at various temperatures. The Huang-Rhys factor extracted from the model can be associated with that from the modified semiempirical Varshni equation at high temperatures. Individual mechanisms leading to the unique temperature-dependent emission spectra of those TMDs are validated by the multimode Brownian oscillator (MBO) fitting, while it is, in turn, confirmed that the MBO analysis is an effective method for studying the optical properties of TMD monolayers. Parameters extracted from the MBO fitting can be used to explore exciton-photon-phonon dynamics of TMDs in a more comprehensive model. |
| first_indexed | 2024-10-01T02:30:57Z |
| format | Journal Article |
| id | ntu-10356/157798 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T02:30:57Z |
| publishDate | 2022 |
| record_format | dspace |
| spelling | ntu-10356/1577982023-07-14T16:05:11Z Simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model Shen, Kaijun Sun, Kewei Zhao, Yang School of Materials Science and Engineering Science::Chemistry::Physical chemistry Monolayers Oscillation The multimode Brownian oscillator model is employed to simulate the emission spectra of transition metal dichalcogenide (TMD) monolayers. Good agreement is obtained between measured and simulated photoluminescence spectra of WSe2, WS2, MoSe2, and MoS2 at various temperatures. The Huang-Rhys factor extracted from the model can be associated with that from the modified semiempirical Varshni equation at high temperatures. Individual mechanisms leading to the unique temperature-dependent emission spectra of those TMDs are validated by the multimode Brownian oscillator (MBO) fitting, while it is, in turn, confirmed that the MBO analysis is an effective method for studying the optical properties of TMD monolayers. Parameters extracted from the MBO fitting can be used to explore exciton-photon-phonon dynamics of TMDs in a more comprehensive model. Ministry of Education (MOE) Submitted/Accepted version The authors gratefully acknowledge the support of the Singapore Ministry of Education Academic Research Fund (grant nos. RG190/18 and RG87/20). K.S. would also like to thank the Natural Science Foundation of Zhejiang Province (grant no. LY18A040005) for partial support. 2022-05-15T08:51:32Z 2022-05-15T08:51:32Z 2022 Journal Article Shen, K., Sun, K. & Zhao, Y. (2022). Simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model. Journal of Physical Chemistry A, 126(17), 2706-2715. https://dx.doi.org/10.1021/acs.jpca.2c01522 1520-5215 https://hdl.handle.net/10356/157798 10.1021/acs.jpca.2c01522 35467864 17 126 2706 2715 en RG190/18 RG87/20 Journal of Physical Chemistry A This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry A, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpca.2c01522. application/pdf |
| spellingShingle | Science::Chemistry::Physical chemistry Monolayers Oscillation Shen, Kaijun Sun, Kewei Zhao, Yang Simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model |
| title | Simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model |
| title_full | Simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model |
| title_fullStr | Simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model |
| title_full_unstemmed | Simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model |
| title_short | Simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model |
| title_sort | simulation of emission spectra of transition metal dichalcogenide monolayers with the multimode brownian oscillator model |
| topic | Science::Chemistry::Physical chemistry Monolayers Oscillation |
| url | https://hdl.handle.net/10356/157798 |
| work_keys_str_mv | AT shenkaijun simulationofemissionspectraoftransitionmetaldichalcogenidemonolayerswiththemultimodebrownianoscillatormodel AT sunkewei simulationofemissionspectraoftransitionmetaldichalcogenidemonolayerswiththemultimodebrownianoscillatormodel AT zhaoyang simulationofemissionspectraoftransitionmetaldichalcogenidemonolayerswiththemultimodebrownianoscillatormodel |