Computational Study of Janus Transition Metal Dichalcogenide Monolayers for Acetone Gas Sensing
Sign Up to like & getrecommendations! Published in 2020 at "ACS Omega"
DOI: 10.1021/acsomega.0c04938
Abstract: Recently, Janus two-dimensional (2D) transition metal dichalcogenides (TMDs) have been widely investigated and have provided exciting prospects in many fields such as photoelectric materials, photocatalysis, and gas sensors. In this study, we performed density functional… read more here.
Keywords: janus mosse; acetone; mosse janus; janus moste ... See more keywords
Electronic, vibrational, elastic, and piezoelectric properties of monolayer Janus MoSTe phases: A first-principles study
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.100.045415
Abstract: By performing density functional theory based first-principles calculations, the electronic, vibrational, elastic, and piezoelectric properties of two dynamically stable crystal phases of monolayer Janus MoSTe, namely 1H -MoSTe and 1T ′-MoSTe, are investigated. Vibrational frequency… read more here.
Keywords: moste; janus moste; first principles; piezoelectric properties ... See more keywords