Unveiling d-band synergy in anti-sandwich dual-atom catalysts for hydrogen evolution reaction: High-throughput DFT screening and machine learning insights
Wentao Liang, Wenjun Xiao, Linxing Meng, Jinshun Bi, Abuduwayiti Aierken, Xiaofeng Rong, Degui Wang, Xuefei Liu
Topics & Concepts
CatalysisThroughputDual (grammatical number)Atom (system on chip)High-throughput screeningHydrogen atomHydrogenMaterials scienceNanotechnologyChemistryComputer scienceParallel computingOrganic chemistryGroup (periodic table)TelecommunicationsWirelessBiochemistryArtLiteratureElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceAmmonia Synthesis and Nitrogen Reduction