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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 ...
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 ...