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Influence of natural gas composition on adsorption in calcite Nanopores: A DFT study
Published 2021“…The nanopores absorbed up to 28 and 24 molecules of CH<sub>4</sub> and CO<sub>2,</sub> respectively, and the adsorption energy decreased to −0.0062 and −0.0075 eV/Å<sup>2</sup> for each. …”
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Co-doped zigzag graphene nanoribbon based gas sensor for sensitive detection of H<sub>2</sub>S: DFT study
Published 2021“…The adsorption energy (E<sub>ads</sub>) of H<sub>2</sub>S/Zn-ZGNR and H<sub>2</sub>S/Cu-ZGNR systems were found to be −2.237 and −1.129 eV, respectively. …”
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