First-principles study of monolayer MoS 2 with deficient and excessive Mo n and S n ( n = −3 → 3) clusters on 5 × 5 supercells

Published 2016 View Full Article

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Title
First-principles study of monolayer MoS 2 with deficient and excessive Mo n and S n ( n = −3 → 3) clusters on 5 × 5 supercells
Authors
Keywords
First-principles calculations, 2D inorganic layered crystal, Isoelement doping, Clusters
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 121, Issue -, Pages 124-130
Publisher
Elsevier BV
Online
2016-05-13
DOI
10.1016/j.commatsci.2016.04.036

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