First-principles high-throughput screening of bulk piezo-photocatalytic materials for sunlight-driven hydrogen production
Zhao Liu, Biao Wang, Dewei Chu, Claudio Cazorla
Abstract
A high-throughput screening of piezo-photocatalytic materials based on first-principles calculations and a simple electrostatic model is presented that identifies new bulk compounds able to catalyse the water splitting reaction under sunlight.
Topics & Concepts
PhotocatalysisSunlightThroughputHydrogen productionCatalysisMaterials scienceWater splittingNanotechnologyHigh-throughput screeningPhotocatalytic water splittingProduction (economics)PhotochemistryChemistryComputer scienceOpticsPhysicsOrganic chemistryTelecommunicationsWirelessBiochemistryEconomicsMacroeconomicsAdvanced Photocatalysis TechniquesAmmonia Synthesis and Nitrogen ReductionCaching and Content Delivery