Superior Gas Sensing Properties of Monolayer PtSe2

Muhammad Sajjad, Enrique Montes Muñoz, Nirpendra Singh, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

107 Scopus citations


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.
Original languageEnglish (US)
Pages (from-to)1600911
JournalAdvanced Materials Interfaces
Issue number5
StatePublished - Dec 14 2016


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