Tuning electronic and optical properties of monolayer PdSe2 by introducing defects: first-principles calculations
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DOI: 10.1038/s41598-020-60949-9
Abstract: Based on the density functional theory, the electronic and optical properties of pristine monolayer PdSe2 with Pd or Se vacancy-defect are investigated. Our results show that the Se defect is energetically more favorable than that… read more here.
Keywords: optical properties; electronic optical; introducing defects; monolayer pdse2 ... See more keywords