Unusual thermo-mechanical properties of the Janus Mo<sub>2</sub>ScC<sub>2</sub>OH MXene monolayer
Emre Bölen, E. Deligöz
Abstract
The Janus Mo 2 ScC 2 OH monolayer is stable, has high negative Grüneisen parameters, and exhibits a relatively low lattice thermal conductivity.
Topics & Concepts
JanusMonolayerDebye modelMaterials sciencePhononThermal conductivityAb initioDensity functional theoryThermal expansionCondensed matter physicsThermodynamicsChemistryComputational chemistryNanotechnologyComposite materialPhysicsOrganic chemistryMXene and MAX Phase Materials2D Materials and ApplicationsBoron and Carbon Nanomaterials Research