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- W4283384311 abstract "Nonequilibrium Green’s function formalism is used to set the chemiresistor device for analyzing the sensing ability of pristine and metal-doped (Al, Fe and Mn) armchair graphene nanoribbons (AGNRs) for the detection of hydrogen halide gases — HF, HCl and HBr. Metal doping is found to enhance the adsorptive strength and sensing ability of the ribbon. On Al-AGNR, all three halide gases follow dissociative chemisorption while on Fe-AGNR and Mn-AGNR, these gases adsorb nondissociatively. The computed current–voltage characteristics indicate selective response of Mn-AGNR toward HF and of Fe-AGNR toward HBr. The origin of this selectivity has been discussed in terms of difference in the density-of-state profiles of the studied AGNR systems." @default.
- W4283384311 created "2022-06-25" @default.
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- W4283384311 date "2022-07-25" @default.
- W4283384311 modified "2023-09-25" @default.
- W4283384311 title "Predicting Selective Sensing Capability of Armchair Graphene Nanoribbon toward Hydrogen Halide Gases: A Density-of-State Analysis" @default.
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- W4283384311 doi "https://doi.org/10.1142/s2737416522500375" @default.
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