Electrocatalytic CO2 reduction has been developed as a promising and attractive strategy to
achieve carbon neutrality for sustainable chemical production. Among various reduction …

A significant challenge in the development of functional materials is understanding the
growth and transformations of anisotropic colloidal metal nanocrystals. Theory and …

The growth of Ag clusters on amorphous carbon substrates is studied in situ by X-ray
scattering experiments, whose final outcome is imaged by electron microscopy. The real …

Twin structures possess distinct physical and chemical properties by virtue of their specific
twin configuration. However, twinning and detwinning processes are not fully understood on …

The shape of AuPd nanoparticles is engineered by surface stress relaxation, achieved by
varying the Au content in nanoparticles of Pd-rich compositions. AuPd nanoparticles are …

We use two variants of replica-exchange molecular dynamics (MD) simulations, parallel
tempering MD and partial replica exchange MD, to probe the minimum free-energy shapes …

We use machine learning (ML) to classify the structures of mono-metallic Cu and Ag
nanoparticles. Our datasets comprise a broad range of structures–both crystalline and …

Crystals with penta-twinned structures can be produced from diverse fcc metals, but the
mechanisms that control the final product shapes are still not well understood. By using the …

This study focuses on the influence of pretreatment conditions and surface structures of well-
tuned Pt nanoparticles on the selective hydrogenation of α-β unsaturated crotonaldehyde …

In this feature article, we provide an account of the Langmuir Lecture delivered by Kristen
Fichthorn at the Fall 2020 Virtual Meeting of the American Chemical Society. We discuss …