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Influence of functional group and their number of atoms on structural, electronic and optical properties of Sc2C MXenes: A DFT study

M. Shakil‎, Shahnaz Nazir, Muhammad Zafar, S.S.A. Gillani, Hamid Ali

2024Computational Condensed Matter13 citationsDOI

Topics & Concepts

MXenesDensity functional theoryOptical conductivityBand gapMaterials scienceElectronic structureRefractive indexChemistryComputational chemistryCondensed matter physicsOptoelectronicsNanotechnologyPhysicsPhysical chemistryMXene and MAX Phase Materials2D Materials and ApplicationsBoron and Carbon Nanomaterials Research
Influence of functional group and their number of atoms on structural, electronic and optical properties of Sc2C MXenes: A DFT study | Litcius