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DFT based investigations on inherent CO2 adsorption and direct dissociation capability of Ti2C and Nb2C mxenes

Muhammad Rafique, Bachirou Guene Lougou, Yong Shuai, Danish Hussain, Achraf Ghorbal, Bo Wang

2024Surfaces and Interfaces14 citationsDOI

Topics & Concepts

MXenesMaterials scienceAdsorptionDissociation (chemistry)Density functional theoryChemical physicsNanotechnologyChemical engineeringComputational chemistryPhysical chemistryPhysicsEngineeringChemistryMXene and MAX Phase Materials2D Materials and ApplicationsGraphene research and applications
DFT based investigations on inherent CO2 adsorption and direct dissociation capability of Ti2C and Nb2C mxenes | Litcius