Biao Wen

Sequential Oxygen Vacancy Formation Governs Cu Size-Dependent Methanol Synthesis at Cu–ZrO2 Interfaces

Methanol synthesis at Cu–ZrO2 interfaces requires CO2 activation, H2 dissociation, and conversion of oxygenated intermediates to proceed in concert, yet how Cu aggregation coordinates these functions remains unclear. Electronic-structure calculations, molecular dynamics, and catalytic experiments show that Cu size go...