Charge transfer and hydrogen adsorption in the Pd/Ag bimetallic nano system: an experimental and theoretical DFT cluster approach

Ultrasensitive hydrogen detection by electrostatically formed silicon nanowire decorated by palladium nanoparticles

“…These calculations were carried out using the Generalized Gradient Approximation (GGA) of DFT and did not take into account that the SiO2 surface is hydroxylated in humid air. More recent calculations suggest that there is charge transfer and dipole formation upon adsorption of hydrogen on Pd surface [44]. However, more detailed theoretical studies of the interface dipole layer formation at Pd/SiO2 interfaces are still missing.…”