Microscopic mechanism of plasmon-mediated photocatalytic H2 splitting on Ag–Au alloy chain

Alloy nanostructures supporting localized surface plasmon resonances has been widely used as efficient photocatalysts, but the microscopic mechanism of alloy compositions enhancing the catalytic efficiency is still unclear. By using time-dependent density functional theory(TDDFT), we analyze the real-time reaction processes of plasmon-mediated H₂ splitting on linear Ag–Au alloy chains when exposed to femtosecond laser pulses. It is found that H₂ splitting rate depends on th...