DFT investigation of H2S adsorption on graphenenanosheets and nanoribbons: Comparative study
Graphenenanosheet (GNS), armchair graphenenanoribbon (AGNR), and zigzag graphenenanoribbon (ZGNR) systems were investigated by first principle calculations using the density functional theory (DFT). The DFT calculations explored the potential of utilization of these materials as gas sensors to detec...
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| Format: | article |
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2020
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| Online Access: | http://dx.doi.org/10.1016/j.spmi.2020.106650 https://www.sciencedirect.com/science/article/pii/S0749603620310740 http://hdl.handle.net/10576/16221 |
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