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An ab initio study of S-doped penta-graphene for oxygen-based toxic gas sensing application

Mahabub Hasan Rocky, Fatin Hasnat Shihab, Debashis Roy, Abdullah Al Roman, Mohammad Tanvir Ahmed

2025Materials Chemistry and Physics9 citationsDOI

Topics & Concepts

GrapheneAb initioDopingAb initio quantum chemistry methodsOxygenMaterials scienceChemical physicsComputational chemistryNanotechnologyChemistryOptoelectronicsMoleculeOrganic chemistryGas Sensing Nanomaterials and SensorsGraphene research and applications2D Materials and Applications
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