Now showing items 1-3 of 3
Portlandite crystal: Bulk, bilayer, and monolayer structures
(American Physical Society, 2015-06-12)
Ca(OH)2 crystals, well known as portlandite, are grown in layered form, and we found that they can be exfoliated on different substrates. We performed first principles calculations to investigate the structural, electronic, ...
Formation and diffusion characteristics of Pt clusters on graphene, 1H-MoS2 and 1T-TaS2
Many experiments have revealed that the surfaces of graphene and graphene-like structures can play an active role as a host surface for clusterization of transition metal atoms. Motivated by these observations, we investigate ...
Hexagonal AlN: Dimensional-crossover-driven band-gap transition
(American Physical Society, 2015-02-27)
Motivated by a recent experiment that reported the successful synthesis of hexagonal (h) AlN [Tsipas, Appl. Phys. Lett. 103, 251605 (2013)APPLAB0003-695110.1063/1.4851239], we investigate structural, electronic, and ...