Surface chemistry dictates stability and oxidation state of supported single metal catalyst atoms

Abstract

Multi-response maps show that atomically dispersed iron on alumina provides relatively high activity and good stability in low temperature CO oxidation.

Stability of heterogeneous single-atom catalysts: a scaling law mapping thermodynamics to kinetics

“…This figure predicts the minimum required binding energies of single atoms (examples given for Pt, Pd, and Ni) on a support to obtain stable SACs for a day at the two indicated temperatures. In this study, we focused on idealized surfaces without defects (except for steps), hydroxyl groups or dopants, which may act as nucleation sites for sintering and in this way alter diffusion processes of metal adatoms [35][36][37] . Despite this simplification, the framework introduced is general and the correlations provide a guiding tool for initial materials selection.…”

First-principles insight into CO hindered agglomeration of Rh and Pt single atoms on m-ZrO2

“…Finally, we consider the kinetics of SA agglomeration which is a complex surface diffusion process with several time scales. 64 The traditional picture of SA agglomeration is based on either Ostwald ripening or coalescence. In both processes the decrease in the surface energy provides the driving force.…”

Ionic Liquid-Stabilized Single-Atom Rh Catalyst Against Leaching

“…Due to the distinct electronic structure and coordination environment of the isolated metal atoms supported on the support compared with metal clusters and nanoparticles, single-atom catalysts have shown exceptional catalytic performance in diverse applications. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16] A survey of the single-atom catalysis research showed that around two-thirds of published articles in 2019 focused on liquid-phase reactions. Indeed, organic transformations widely used to synthesize fine chemicals are commonly conducted in solvents.…”