Litcius/Paper detail

2D ternary nitrides XNY (X=Ti, Zr, Hf; Y F, Cl, Br) with applications as photoelectric and photocatalytic materials featuring mechanical and optical anisotropy: A DFT study

Chenggong Zhang, Wei-xiao Ji, Sheng-shi Li, Ping Li, Changwen Zhang, Pei‐ji Wang

2021Journal of Solid State Chemistry19 citationsDOI

Topics & Concepts

Ternary operationBand gapDensity functional theoryAb initioMaterials scienceNitridePhotocatalysisPhotoelectric effectSemiconductorAb initio quantum chemistry methodsAbsorption edgePhononDirect and indirect band gapsAnisotropyWater splittingPhysical chemistryElectronic band structureElectronic structureChemistryComputational chemistryOptoelectronicsCondensed matter physicsNanotechnologyCatalysisOpticsMoleculePhysicsComputer scienceProgramming languageBiochemistryLayer (electronics)Organic chemistryMXene and MAX Phase Materials2D Materials and ApplicationsGraphene research and applications
2D ternary nitrides XNY (X=Ti, Zr, Hf; Y F, Cl, Br) with applications as photoelectric and photocatalytic materials featuring mechanical and optical anisotropy: A DFT study | Litcius