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Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra06307g
Abstract: The adsorptions of toxic gas molecules (CO2, CO, H2S, HF and NO) on pristine and Ti atom doped hexagonal boron nitride (hBN) monolayer are investigated by density functional theory. Weak physisorption of gas molecules on…
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Keywords:
gas;
co2 h2s;
gas molecules;
hbn monolayer ... See more keywords