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ISSN 2063-5346
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Triangulene GQD as a Toxic Gas Sensor: A First Principle Study

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Drashti Patel* , Rahul Prajapati **
» doi: 10.48047/ecb/2022.11.12.42

Abstract

In this work, we have investigated Graphene quantum dot “triangulene” using first principles based density functional theory (DFT) by means of adsorption mechanism and electronic density of states calculations. The computed adsorption energy of triangulene over NH3 gas molecule is -0.177eV which is shows minimum energetic configuration for NH3

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