Work

Stochastic dynamics of nanoparticle catalysis: a discrete-state perspective

Year: 2025

Type: article

Abstract: Recent advancements in single-molecule techniques have allowed researchers to investigate individual nanocatalysts, which exhibit inherent variations in size, shape, and surface properties, leading to unique and time-dependent catalytic behaviors. The heterogeneity in surface facets, defects, and structural dynamics further influences their performance, highlighting the importance of single-particle analysis in catalyst development. Recent theoretical studies using stochastic modeling have provided valuable insights into the microscopic dynamics of nanoparticle catalysis. This review systematically examines the impact of active site heterogeneity on reaction dynamics, the role of dynamic catalytic restructuring in enhancing efficiency, and the emergence of intra-particle catalytic cooperativity through charged hole dynamics. By integrating these theoretical advances, this review offers a comprehensive perspective on the microscopic mechanisms governing nanoparticle catalysis and suggests potential avenues for the rational design and understanding of more effective catalytic systems.

Source: Materials Horizons

DOI: 10.1039/d5mh01692d

Authors: Pankaj Jangid, Srabanti Chaudhury

Institution: Indian Institute of Science Education and Research Pune

Language: English

Topic: Catalytic Processes in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Funders: Indian Institute of Science Education and Research Pune, Indian Institute of Science Education and Research Mohali, Science and Engineering Research Board

Award: G5674038682