KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2016-12-14
Print Publication Date2017-03
Permanent link to this recordhttp://hdl.handle.net/10754/622781
MetadataShow full item record
AbstractFirst-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.
CitationSajjad M, Montes E, Singh N, Schwingenschlögl U (2016) Superior Gas Sensing Properties of Monolayer PtSe2 . Advanced Materials Interfaces: 1600911. Available: http://dx.doi.org/10.1002/admi.201600911.
SponsorsThe research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
JournalAdvanced Materials Interfaces