DOI: 10.1002/anie.201706038. Towards a Comprehensive Understanding of the Reaction Mechanisms Between Defective MoS<sub>2</sub> and Thiol Molecules

Towards a Comprehensive Understanding of the Reaction Mechanisms Between Defective MoS2 and Thiol Molecules

10.1002/anie.201706038

Crossref journal-article

Wiley

Angewandte Chemie International Edition (311)

Abstract

AbstractSulfur vacancies (SVs) inherent in MoS2 are generally detrimental for carrier mobility and optical properties. Thiol chemistry has been explored for SV repair and surface functionalization. However, the resultant products and reaction mechanisms are still controversial. Herein, a comprehensive understanding on the reactions is provided by tracking potential energy surfaces and kinetic studies. The reactions are dominated by two competitive mechanisms that lead to either functionalization products or repair SVs, and the polarization effect from decorating thiol molecules and thermal effect are two determining factors. Electron‐donating groups are conducive to the repairing reaction whereas electron‐withdrawing groups facilitate the functionalization process. Moreover, the predominant reaction mechanism can be switched by increasing the temperature. This study fosters a way of precisely tailoring the electronic and optical properties of MoS2 by means of thiol chemistry approaches.

Bibliography

Li, Q., Zhao, Y., Ling, C., Yuan, S., Chen, Q., & Wang, J. (2017). Towards a Comprehensive Understanding of the Reaction Mechanisms Between Defective MoS2 and Thiol Molecules. Angewandte Chemie International Edition, 56(35), 10501â10505. Portico.

Authors 6

Qiang Li (first)
Yinghe Zhao (additional)
Chongyi Ling (additional)
Shijun Yuan (additional)
Qian Chen (additional)
Jinlan Wang (additional)

References 46 Referenced 102

Dates

Type	When
Created	8 years, 1 month ago (July 4, 2017, 11:09 a.m.)
Deposited	1 year, 11 months ago (Sept. 9, 2023, 8:38 p.m.)
Indexed	2 weeks, 3 days ago (Aug. 6, 2025, 8:09 a.m.)
Issued	8 years ago (July 24, 2017)
Published	8 years ago (July 24, 2017)
Published Online	8 years ago (July 24, 2017)
Published Print	8 years ago (Aug. 21, 2017)

Funders 2

National Natural Science Foundation of China 10.13039/501100001809
Region: Asia
gov (National government)
Labels11
1. Chinese National Science Foundation
2. Natural Science Foundation of China
3. National Science Foundation of China
4. NNSF of China
5. NSF of China
6. 国家自然科学基金委员会
7. National Nature Science Foundation of China
8. Guójiā Zìrán Kēxué Jījīn Wěiyuánhuì
9. NSFC
10. NNSF
11. NNSFC
Awards1
1. 21373045, 11404056
Ministry of Science and Technology of the People's Republic of China 10.13039/501100002855
Region: Asia
gov (National government)
Labels6
1. Chinese Ministry of Science and Technology
2. Ministry of Science & Technology, People Republic of China
3. 中华人民共和国科学技术部
4. Ministry of Science and Technology (China)
5. State Science and Technology Commission
6. MOST
Awards1
1. 2017YFA0204800

BibTeX

@article{Li_2017, title={Towards a Comprehensive Understanding of the Reaction Mechanisms Between Defective MoS2 and Thiol Molecules}, volume={56}, ISSN={1521-3773}, url={http://dx.doi.org/10.1002/anie.201706038}, DOI={10.1002/anie.201706038}, number={35}, journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Li, Qiang and Zhao, Yinghe and Ling, Chongyi and Yuan, Shijun and Chen, Qian and Wang, Jinlan}, year={2017}, month=jul, pages={10501–10505} }

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