Role of lone-pair electrons in determining the thermal transport behavior of LiAsS2: first-principles investigation
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DOI: 10.1039/d1ce00120e
Abstract: As3+ cations possessing stereochemically active lone pairs (SALPs) lead to high SHG coefficients of nonlinear-optical crystal LiAsS2, but the role of SALPs in determining the thermal transport behavior of LiAsS2 is still unknown. read more here.
Keywords: role; lone; determining thermal; thermal transport ... See more keywords