Mechanistic Insights into Ag Nanoparticle Formation\non β‑Ag<sub>2</sub>WO<sub>4</sub> Surfaces through Electron\nBeam Irradiation

The formation of\nmetal nanoparticles triggered by electron beam\nirradiations on the parent metal oxide is well-established, yet the\nprecise mechanism remains elusive. To gain deeper insights into the\ntime evolution of the electron beam-driven processes on (011), (111),\n(001), and (110) surfaces of β-Ag<sub>2</sub>WO<sub>4</sub>,\nwe have employed density functional theory (DFT) calculations and\nab initio molecular dynamics (AIMD) simulations to reveal the diffusion\nprocesses of Ag cations, the amorphization of the surfaces, and a\nstraightforward interpretation of the time evolution for the formation\nof Ag nanoclusters at the β-Ag<sub>2</sub>WO<sub>4</sub> surfaces.\nPresent findings advanced a clear visualization, at the atomic level,\nof how the added electrons induce structural and electronic transformations\nat β-Ag<sub>2</sub>WO<sub>4</sub> to render the formation of\nAg metal nanoparticles/β-Ag<sub>2</sub>WO<sub>4</sub> n/p-type\nsemiconductors.