High-throughput screening of single-atom catalysts on 1 T-TMD for highly active and selective CO2 reduction reaction: Computational and machine learning insights
Xi Shen, Peng Zhao, Cheng He, Wenxue Zhang
Topics & Concepts
ChemistryCatalysisThroughputReduction (mathematics)Atom (system on chip)Selective reductionHigh-throughput screeningCombinatorial chemistryNanotechnologyOrganic chemistryParallel computingComputer scienceBiochemistryMaterials scienceGeometryTelecommunicationsMathematicsWirelessMachine Learning in Materials ScienceCO2 Reduction Techniques and CatalystsCatalytic Processes in Materials Science