Structures and phase transition of a MoS2 monolayer

M. Kan, J. Y. Wang, X. W. Li, S. H. Zhang, Y. W. Li, Y. Kawazoe, Q. Sun, P. Jena

Research output: Contribution to journalArticlepeer-review

400 Citations (Scopus)


As an inorganic cousin of graphene, MoS2 monolayer has attracted considerable attention. However, a full understanding of its structure and stability is still lacking due to its dependence on experimental synthesis conditions. Using first-principle calculations combined with Boltzmann transport equation, we have extensively studied the geometry, energetics, electronic structure, optical absorption, and carrier mobility of various phases of MoS2. We have not only identified the stable phases of a MoS 2 monolayer, but also clarified the specific conditions under which different phases are formed. The possible pathways for transitions among different phases are also discussed.

Original languageEnglish
Pages (from-to)1515-1522
Number of pages8
JournalJournal of Physical Chemistry C
Issue number3
Publication statusPublished - 2014 Jan 23


Dive into the research topics of 'Structures and phase transition of a MoS2 monolayer'. Together they form a unique fingerprint.

Cite this