Atomic structure and edge magnetism in MoS(2+x) parallelogram shaped platelets.

Abstract

The structural, electronic, and magnetic properties of MoS(2+x) parallelogram shaped platelets having m and n Mo atoms on the adjoining edges have been studied using first principles calculations and by varying m and n from 1 to 6. These platelets have 100% S coverage on two adjoining edges while 50% S coverage on the other two edges. The structural… (More)
DOI: 10.1039/c3cp51499d

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