Browsing by Author "Ehab, Salih"
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CO, CO2, and SO2 detection based on functionalized graphene nanoribbons: First principles study
Ehab, Salih; Ayesh, Ahmad I. ( 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) ... -
DFT investigation of H2S adsorption on graphenenanosheets and nanoribbons: Comparative study
Ehab, Salih; Ayesh, Ahmad I. ( Elsevier , 2020 , Article)Graphenenanosheet (GNS), armchair graphenenanoribbon (AGNR), and zigzag graphenenanoribbon (ZGNR) systems were investigated by first principle calculations using the density functional theory (DFT). The DFT calculations ... -
First principle investigation of H2Se, H2Te and PH3 sensing based on graphene oxide
Ehab, Salih; Ayesh, Ahmad I. ( 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
Ehab, Salih; Ayesh, Ahmad I. ( 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, ...