First-principles modeling of the highly dynamical surface structure of a MoS<sub>2</sub> catalyst with S-vacancies-Reference-Cited by-同舟云学术

First-principles modeling of the highly dynamical surface structure of a MoS₂ catalyst with S-vacancies

Author:

Wang Po-Yuan¹,Chen Bo-An²,Lee Yu-Chi²,Chiu Cheng-chau¹³^ORCID

Affiliation:

1. Department of Chemistry, National Sun Yat-sen University, Kaohsiung 80424, Taiwan

2. Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan

3. Center for Theoretical and Computational Physics, National Sun Yat-sen University, Kaohsiung 80424, Taiwan

Abstract

Extended S-vacancy sites are not stable on MoS2 and quickly transform into a dynamic, alternating pattern consisting of S-atoms and vacancy sites.

Funder

Ministry of Science and Technology, Taiwan

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference27 articles.

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