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Highly enhanced NH3-sensing performance of BC6N monolayer with single vacancy and Stone-Wales defects: A DFT study

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Published in 2021 at "Applied Surface Science"

DOI: 10.1016/j.apsusc.2021.149383

Abstract: Abstract Searching for suitable NH3-sensing materials has important scientific significance and application value. Using DFT calculations, the adsorption behaviors, electronic, gas-sensing, and optical properties of NH3 and other common molecules on the BC6N monolayer without… read more here.

Keywords: bc6n monolayer; nh3 sensing; sensing performance; monolayer ... See more keywords