TY - JOUR
T1 - Superior Gas Sensing Properties of Monolayer PtSe2
AU - Sajjad, Muhammad
AU - Montes Muñoz, Enrique
AU - Singh, Nirpendra
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
PY - 2016/12/14
Y1 - 2016/12/14
N2 - First-principles calculations of the structural and electronic properties of monolayer 1T-PtSe2 with adsorbed (a) NO2, (b) NO, (c) NH3, (d) H2O, (e) CO2, 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.
AB - First-principles calculations of the structural and electronic properties of monolayer 1T-PtSe2 with adsorbed (a) NO2, (b) NO, (c) NH3, (d) H2O, (e) CO2, 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.
UR - http://hdl.handle.net/10754/622781
UR - http://onlinelibrary.wiley.com/doi/10.1002/admi.201600911/full
UR - http://www.scopus.com/inward/record.url?scp=85006789947&partnerID=8YFLogxK
U2 - 10.1002/admi.201600911
DO - 10.1002/admi.201600911
M3 - Article
SN - 2196-7350
VL - 4
SP - 1600911
JO - Advanced Materials Interfaces
JF - Advanced Materials Interfaces
IS - 5
ER -