Premium
Superior Gas Sensing Properties of Monolayer PtSe 2
Author(s) -
Sajjad Muhammad,
Montes Enrique,
Singh Nirpendra,
Schwingenschlögl Udo
Publication year - 2017
Publication title -
advanced materials interfaces
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.671
H-Index - 65
ISSN - 2196-7350
DOI - 10.1002/admi.201600911
Subject(s) - monolayer , materials science , non equilibrium thermodynamics , adsorption , molecule , chemical physics , nanotechnology , sensitivity (control systems) , chemistry , thermodynamics , organic chemistry , physics , engineering , electronic engineering
First‐principles calculations of the structural and electronic properties of monolayer 1T‐PtSe 2 with adsorbed (a) NO 2 , (b) NO, (c) NH 3 , (d) H 2 O, (e) CO 2 , and (f) CO molecules are discussed. The results point to great potential of the material in gas sensor applications. Superior sensitivity is demonstrated by transport calculations using the nonequilibrium Green's function method.