Abstract:The search for new materials, with ideal electronic and magnetic properties for potential applications in nanoelectronics, has been extremely successful in the past years, and has paved the way for...
“…47 In particular, their applications for designing novel 2D magnetic materials have attracted considerable interest. [48][49][50][51][52] To the best of our knowledge, however, there is no prior report on their applications as battery materials. Inspired by the unique structures and excellent properties of MCl 2 monolayers, we performed comprehensive density functional theory (DFT) computations to explore their potential as AM candidates for Na-S batteries.…”
“…47 In particular, their applications for designing novel 2D magnetic materials have attracted considerable interest. [48][49][50][51][52] To the best of our knowledge, however, there is no prior report on their applications as battery materials. Inspired by the unique structures and excellent properties of MCl 2 monolayers, we performed comprehensive density functional theory (DFT) computations to explore their potential as AM candidates for Na-S batteries.…”
An experimentally feasible defective NiCl2 monolayer is used as a substrate in this paper, and its feasibility as a gas sensor for detecting O2 and CO gases under different conditions is demonstrated by density functional theory calculations.
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