Table of Contents
C, Volume 4, Issue 3 (September 2018)
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Cover Story (view full-size image) The interactions of the gas molecules such as NH3, NO, NO2, H2O, and H2S with a zinc oxide [...] Read more. The interactions of the gas molecules such as NH3, NO, NO2, H2O, and H2S with a zinc oxide (ZnO)–graphene hybrid nanostructure are examined using first-principles density functional theory (DFT). The computations show that the sensitivity of the pristine graphene is significantly improved after surface decoration with ZnO. Our results forecast ZnO–graphene nanosensor as a promising catalyst for H2S dissociation and unravel new prospects of research for environmental and energy applications at the nanoscale due to noticeable alterations in the conductance, large charge transfer, and high adsorption energy to NO and NO2. View the paper here.