Browsing Center for Sustainable Development by Subject "Adsorption energy"
Now showing items 1-3 of 3
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CO, CO2, and SO2 detection based on functionalized graphene nanoribbons: First principles study
( Elsevier , 2020 , Article)In this study, density functional theory (DFT) has been used to build armchair graphene nanoribbon (AGNR) gas sensor and study its capacity to detect carbon monoxide (CO), carbon dioxide (CO2), and sulfur dioxide (SO2) ... -
First principle investigation of H2Se, H2Te and PH3 sensing based on graphene oxide
( Elsevier , 2020 , Article)Detecting toxic gases is of great importance to protect our health and preserve the quality of life. In this work, graphene (G) and graphene oxide with three different modifications (G–O, G–OH, and G–O–OH) have been used ... -
Pt-doped armchair graphene nanoribbon as a promising gas sensor for CO and CO2: DFT study
( Elsevier , 2021 , Article)In this work, four armchair graphene nanoribbon (AGNR) based sensor materials were built using Atomistic ToolKit Virtual NanoLab (ATK-VNL) and utilized to detect carbon monoxide (CO) and carbon dioxide (CO2) gases. First, ...