O- and OH-induced dopant segregation in single atom alloy surfaces: A combined density functional theory and machine learning study
Anne Nicole P Hipolito, Marianne A. Palmero, Viejay Z. Ordillo, Kōji Shimizu, Darwin Barayang Putungan, Alexandra B. Santos-Putungan, Joey D. Ocon, Satoshi Watanabe, Karl Ezra Pilario, Allan Abraham B. Padama
Topics & Concepts
DopantDensity functional theoryAtom (system on chip)Materials scienceHybrid functionalChemical physicsChemistryComputational chemistryDopingOptoelectronicsComputer scienceEmbedded systemElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceCatalytic Processes in Materials Science