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First-principles investigation of the structural and dynamical stability, electronic and thermal properties of two-dimensional Yn+1Cn (n = 1, 2, and 3) MXenes

Amir Aliakbari, Peiman Amiri, Hamdollah Salehi

2021FlatChem24 citationsDOI

Topics & Concepts

MXenesMaterials scienceStructural stabilityDensity functional theoryPseudopotentialPhononCharge densityElectronic structureThermal stabilityThermodynamicsMonolayerDensity of statesCondensed matter physicsComputational chemistryNanotechnologyChemistryPhysicsQuantum mechanicsStructural engineeringOrganic chemistryEngineeringMXene and MAX Phase Materials2D Materials and ApplicationsBoron and Carbon Nanomaterials Research
First-principles investigation of the structural and dynamical stability, electronic and thermal properties of two-dimensional Yn+1Cn (n = 1, 2, and 3) MXenes | Litcius