Exploring the electronic structure, mechanical stability and optoelectronic responses of arsenic-based M2AsX (M = Nb, Mo and X = C, N) MAX phase ceramics
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This study utilizes first-principles computations to examine the electronic structure, mechanical stability, and optoelectronic responses of arsenic-based M2AsX (M = Nb, Mo and X = C, N) ceramics. We assessed the stability of these compounds by calculating the... ...