DFT calculations show that specific transition-metal substitutions in Ga2O2 monolayers enable selective room-temperature gas sensing or permanent scavenging for NO, NO2, CO, CO2, and O2.
First-principles design rules for selective room-temperature gas sensing in transition- metal-dopedM oS 2,
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Transition-Metal Tailored $Ga_{2}O_{2}$ Monolayer: From Room-Temperature Gas Sensing to Chemical Scavenging
DFT calculations show that specific transition-metal substitutions in Ga2O2 monolayers enable selective room-temperature gas sensing or permanent scavenging for NO, NO2, CO, CO2, and O2.