Favorable performance of WSe2 monolayer modified by chromium catalyst for sensing thermal runaway gases H2, CO and C2H4 using first-principles theory

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

“…Conversely, other materials, such as the BC 5 monolayer, 72 Li-doped F-diamane, 62 Si-doped BC 3 sheet 73 and grapheneplus, 74 exhibit too strong adsorption capabilities for H 2 CO. Similarly, the Pt-doped MoTe 2 monolayer, 67 Cr-doped WSe 2 monolayer 75 and Au-doped MoS 2 monolayers 76 also show a quite strong adsorption strength for C 2 H 4 . This strong adsorption seriously impedes the rapid desorption of H 2 CO and C 2 H 4 , as indicated by the prolonged recovery time at room temperature.…”