Density functional theory-based quantum-computational analysis on the strain-assisted phononic, electronic, photocatalytic properties and thermoelectric performance of monolayer Janus SnSSe
Hussain Ali, M. Umar Farooq, Fawad Khan, Sheraz Ahmad, B. Amin, Sikander Azam, Azmat Iqbal Bashir
Topics & Concepts
Thermoelectric effectDensity functional theoryMaterials scienceThermoelectric materialsMonolayerBand gapvan der Waals forceFigure of meritSeebeck coefficientPhotocatalysisWater splittingNanotechnologyOptoelectronicsThermal conductivityComputational chemistryThermodynamicsComposite materialChemistryPhysicsCatalysisBiochemistryMoleculeOrganic chemistry2D Materials and ApplicationsAdvanced Thermoelectric Materials and DevicesMXene and MAX Phase Materials