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DFT study of gas responses to CH4, H2S, and CO on TM Atom (Sc, V, Cr, Mn)-modified HfSe2 monolayers

Taili Wang, Dongbin Wang, Kun Xie, Pengtao Wang, Xinchun Li, Chaowen Xue, Long Lin, Ye Shen

2024Surfaces and Interfaces16 citationsDOI

Topics & Concepts

Materials scienceMonolayerAtom (system on chip)MethanePhysical chemistryCrystallographyNanotechnologyOrganic chemistryChemistryComputer scienceEmbedded system2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesGraphene research and applications
DFT study of gas responses to CH4, H2S, and CO on TM Atom (Sc, V, Cr, Mn)-modified HfSe2 monolayers | Litcius