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Enhanced Electronic and Optical Properties of Three TMD Heterobilayers

The physical and chemical properties of monolayers can be tuned by the selective combinations so as to be useful to device applications. Here we present a density functional theory study on the structural, electronic and optical properties of three transition metal dichalcogenide (TMD) heterobilayers, ZrS2/H

Authors:   Shafiq Ur Rehman; Zejun Ding
Journal:   Physical Chemistry Chemical Physics
DOI:   10.1039/C8CP02995D
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