In recent years, the field of catalysis has experienced an astonishing transformation, driven
in part by more demanding environmental standards and critical societal and industrial …

Starting from the late seventies, the progressively increased availability of synchrotron light
sources allowed the execution of experiments requiring a high X-ray flux in a continuous …

Single-atom catalysts (SACs), consisting of individual metal atoms dispersed on a support,
attract attention due to their unique reactivity, efficient use of precious metals, and precise …

Transition metal-nitrogen-doped carbons (TMNCs) are a promising class of catalysts for the
CO2 electrochemical reduction reaction. In particular, high CO2-to-CO conversion activities …

Oxide-supported noble metal catalysts have been extensively studied for decades for the
water gas shift (WGS) reaction, a catalytic transformation central to a host of large volume …

Tracking the structure of heterogeneous catalysts under operando conditions remains a
challenge due to the paucity of experimental techniques that can provide atomic-level …

We briefly review our implementation of the real-space Green's function (RSGF) approach
for calculations of X-ray spectra, focusing on recently developed parameter free models for …

The rapid growth of methods emerging in the past decade for synthesis of “designer”
catalysts—ranging from the size and shape-selected nanoparticles to mass-selected …

To probe metal particle/reducible oxide interactions density functional theory based ab initio
molecular dynamics studies were performed on a prototypical metal cluster (Au20) …

Platinum nanocatalysts play critical roles in CO oxidation, an important catalytic conversion
process. As the catalyst size decreases, the influence of the support material on catalysis …