Theoretical investigation of 2D FePc and CrPc monolayers as a promising gas sensor for detecting hazardous gases

Proposals for gas-detection improvement of the FeMPc monolayer towards ethylene and formaldehyde by using bimetallic synergy

“…49 Hence, the rational design of multiple active centers is a promising strategy for enhancing the sensitivity and selectivity of gas-sensitive materials. In the field of gas sensors, single-layer FePc was also demonstrated to exhibit excellent sensitivity toward toxic NH 3 , NO 2 , SO 2 , CO, NO 50 and SF 6 decomposed species. 51 The highly active Fe atom has been extensively employed as the primary dopant bound to various 2D nanomaterials in the fields of catalysts 52 and gas sensors.…”