Density-functional quantum computations on bandgap engineering and tuning of optoelectronic properties of MgH2 via Mo doping: Prospects and potential for clean energy hydrogen-storage fuel and optoelectronic applications
Azmat Iqbal Bashir, Muhammad Irfan, Sikander Azam, Hasnat Ahmad
Topics & Concepts
Hydrogen storageBand gapDensity functional theoryMaterials scienceDopingOptoelectronicsHydrogenHydrogen fuelEnergy storageChemistryComputational chemistryPhysicsThermodynamicsPower (physics)Organic chemistryHydrogen Storage and MaterialsSuperconductivity in MgB2 and AlloysBoron and Carbon Nanomaterials Research