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Matches in SemOpenAlex for { <https://semopenalex.org/work/W1978486924> ?p ?o ?g. }

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• W1978486924 abstract "We report the density-functional calculations of NO2 adsorption on single-walled carbon nanotube walls. A single molecular adsorption was endothermic with an activation barrier, but a collective adsorption with several molecules became exothermic without an activation barrier. We find that NO2 adsorption is strongly electronic structure- and strain-dependent. The NO2 adsorption on metallic nanotubes was energetically more favorable than that on semiconducting nanotubes and furthermore the adsorption became less stable with increasing diameters of nanotubes. The adsorption barrier height shows similar dependence on the electronic structure and diameter to the adsorption energy. Our theoretical model can be a good guideline for the separation of nanotubes by electronic structures using various adsorbates." @default.
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• W1978486924 date "2005-10-25" @default.
• W1978486924 modified "2023-10-12" @default.
• W1978486924 title "Chirality- and Diameter-Dependent Reactivity of NO₂ on Carbon Nanotube Walls" @default.
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• W1978486924 doi "https://doi.org/10.1021/ja052556y" @default.
• W1978486924 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16277513" @default.
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