Hydrogen-induced phase stability and phonon mediated-superconductivity in two-dimensional van der Waals Ti<sub>2</sub>C MXene monolayer
Prutthipong Tsuppayakorn‐aek, Thiti Bovornratanaraks, Rajeev Ahuja, Wei Luo, Komsilp Kotmool
Abstract
This work reports the phase stability of the hydrogenated Ti 2 C MXene monolayers using an evolutionary algorithm based on density functional theory and their predicted critical superconducting temperature ( T c ).
Topics & Concepts
Phononvan der Waals forceDensity functional theoryMonolayerSuperconductivityCondensed matter physicsIsotropyPhase (matter)Bent molecular geometryMaterials scienceChemical physicsChemistryPhysicsComputational chemistryNanotechnologyMoleculeQuantum mechanicsComposite materialMXene and MAX Phase Materials2D Materials and ApplicationsGraphene research and applications