1 research outputs found
Formation of Ag Nanoparticles on β‑Ag<sub>2</sub>WO<sub>4</sub> through Electron Beam Irradiation: A Synergetic Computational and Experimental Study
In
the present work, a combined theoretical and experimental study was
performed on the structure, optical properties, and growth of Ag nanoparticles
in metastable β-Ag<sub>2</sub>WO<sub>4</sub> microcrystals.
This material was synthesized using the precipitation method without
the presence of surfactants. The structural behavior was analyzed
using X-ray diffraction and Raman and infrared spectroscopy. Field-emission
scanning electron microscopy revealed the presence of irregular spherical-like
Ag nanoparticles on the β-Ag<sub>2</sub>WO<sub>4</sub> microcrystals,
which were induced by electron beam irradiation under high vacuum
conditions. A detailed analysis of the optimized β-Ag<sub>2</sub>WO<sub>4</sub> geometry and theoretical results enabled interpretation
of both the Raman and infrared spectra and provided deeper insight
into rationalizing the observed morphology. In addition, first-principles
calculations, within the quantum theory of atoms in molecules framework,
provided an in-depth understanding of the nucleation and early evolution
of Ag nanoparticles. The Ag nucleation and formation is the result
of structural and electronic changes of the [AgO<sub>6</sub>] and
[AgO<sub>5</sub>] clusters as a constituent building block of β-Ag<sub>2</sub>WO<sub>4</sub>, which is consistent with Ag metallic formation