Articles with "design dimensional" as a keyword



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First principles design of 2 dimensional Nickel dichalcogenide Janus materials NiXY (X,Y = S,Se,Te)

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Published in 2022 at "Computational Materials Science"

DOI: 10.1016/j.commatsci.2022.111278

Abstract: In this work, we propose novel two-dimensional (2D) Janus Ni dichalcogenide materials and explore their feasibility, stability and evaluate their electronic and optical properties with ab-initio calculations. Three unique Janus materials, namely NiSSe, NiSTe and… read more here.

Keywords: dimensional nickel; janus materials; janus; design dimensional ... See more keywords