Ru-Doped Single Walled Carbon Nanotubes as Sensors for SO2 and H2S Detection
Abstract
Carbon nanotubes are of great interest for their ability to functionalize with atoms for adsorbing toxic gases such as CO, NO, and NO2. Here, we use density functional theory in conjunction with dispersion correction to examine the encapsulation and adsorption efficacy of SO2 and H2S molecules by a (14,0) carbon nanotube and its substitutionally doped form with Ru. Exoergic encapsulation and adsorption energies are calculated for pristine...
Paper Details
Title
Ru-Doped Single Walled Carbon Nanotubes as Sensors for SO2 and H2S Detection
Published Date
May 24, 2021
Journal
Volume
9
Issue
6
Pages
120 - 120
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