Computational understanding of the coalescence of metallic nanoparticles: a mini review

Metallic nanoparticles exhibit extraordinary properties that differ from those of bulk materials due to their large surface area to volume ratios. Coalescence of metallic nanoparticles has a huge impact on their properties. Remarkable progress has been made by using computational methods for understanding nanoparticle coalescence. This work aims to provide a mini review on the state-of-the-art modelling and simulation of nanoparticle coalescence. First, we will discuss the outstanding performances and coalescence behaviors of metallic nanoparticles, and list some challenges in the coalescence of metallic nanoparticles. Next, we will introduce the applications of molecular dynamics and the Monte Carlo method in nanoparticle coalescence. Furthermore, we will discuss the coalescence kinetics and mechanisms of metal nanoparticles with the same element and different elements, alloy nanoparticles and metal oxide nanoparticles. Finally, we will present our perspective and conclusion. This work provides a mini review on the state-of-the-art modelling and simulation of coalescence kinetics and mechanisms for metallic nanoparticles, including nanoparticles with the same and different elements, alloys and metal oxides.