A DFT study of optical, elastic, mechanical, and overall water-splitting photocatalytic properties of pristine and Cd substituted BaZrO3: A lead free environment friendly material
Hafiz Muhammad Naeem Ullah, Muhammad Rizwan, S.S. Ali, Zahid Usman, Chuanbao Cao
Topics & Concepts
Materials scienceBand gapElastic modulusRefractive indexBulk modulusShear modulusValence (chemistry)Condensed matter physicsOptoelectronicsComposite materialChemistryPhysicsOrganic chemistryPerovskite Materials and ApplicationsZnO doping and propertiesCopper-based nanomaterials and applications