The unprecedented ability of computations to probe atomic-level details of catalytic systems
holds immense promise for the fundamentals-based bottom-up design of novel …

Significant advances in nanoparticle-related research have been made in the past decade,
and amelioration of properties is considered of utmost importance for improving nanoparticle …

This comprehensive critical review combines, for the first time, recent advances in nanoscale
surface chemistry, surface science, DFT, adsorption calorimetry, and in situ XRD and TEM to …

Area-selective deposition (ASD) enables the growth of materials on target regions of
patterned substrates for applications in fields ranging from microelectronics to catalysis …

Single-atom catalysts represent an essential and ever-growing family of heterogeneous
catalysts. Recent studies indicate that besides the valuable catalytic properties provided by …

Self-assembly of supported 2D or 3D nanocrystals (NCs) by vacuum deposition and of 3D
NCs by solution-phase synthesis (with possible subsequent transfer to a support) produces …

Nanoparticle sintering remains a fundamental problem in heterogeneous catalysis,
motivating mechanistic studies toward mitigating deactivation of precious metal catalysts …

We present a simple approach for predicting the relative energies of bimetallic nanoparticles
spanning a wide-ranging combinatorial space, using only the identity and nearest-neighbor …

Self-regenerative materials are keys to the development of stable catalysts used under high
temperature condition, eg, three-way catalyst converters in automobiles. Among others …

Understanding the performance of subnanometer catalysts and how catalyst treatment and
exposure to spectroscopic probe molecules change the structure requires accurate structure …