Charge transfer driven interaction of CH4, CO2 and NH3 with TiS2 monolayer: Influence of vacancy defect

Volume: 370, Pages: 189 - 195
Published: Jun 1, 2021
Abstract
In this work we have investigated the dissociation of hydrogen rich CH4 and NH3 molecules along with CO2 on the surface of pristine and various defect induced TiS2 monolayer. The aim is to see whether the monolayer surfaces are able to produce H2 by decomposing the feedstock adsorbates and also to examine whether it can be a sorbent for CO2. We have tried to explore a monolayer surface which can simultaneously act as a catalyst to dissociate...
Paper Details
Title
Charge transfer driven interaction of CH4, CO2 and NH3 with TiS2 monolayer: Influence of vacancy defect
Published Date
Jun 1, 2021
Volume
370
Pages
189 - 195
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