Now showing items 1-4 of 4
Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2
(Institute of Physics Publishing, 2018-03)
We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated ...
Few-layer MoS2 as nitrogen protective barrier
(IOP Publishing, 2017-09)
We report experimental and theoretical investigations of the observed barrier behavior of few-layer MoS2 against nitrogenation. Owing to its low-strength shearing, low friction coefficient, and high lubricity, MoS2 exhibits ...
Structural, electronic and phononic properties of PtSe2: From monolayer to bulk
(Institute of Physics Publishing, 2018-06)
The layer dependent structural, electronic and vibrational properties of the 1T phase of two dimensional (2D) platinum diselenide are investigated by means of state-of-the-art first-principles calculations. The main findings ...
Stable ultra-thin CdTe crystal: A robust direct gap semiconductor
(IOP Publishing, 2017-11)
Employing density functional theory based calculations, we investigate structural, vibrational and strain-dependent electronic properties of an ultra-thin CdTe crystal structure that can be derived from its bulk counterpart. ...