Theory of Anisotropic Metal Nanostructures

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Abstract

A significant challenge in the development of functional materials is understanding the growth and transformations of anisotropic colloidal metal nanocrystals. Theory and simulations can aid in the development and understanding of anisotropic nanocrystal syntheses. The focus of this review is on how results from first-principles calculations and classical techniques, such as Monte Carlo and molecular dynamics simulations, have been integrated into multiscale theoretical predictions useful in understanding shape-selective nanocrystal syntheses. Also, examples are discussed in which machine learning has been useful in this field. There are many areas at the frontier in condensed matter theory and simulation that are or could be beneficial in this area and these prospects for future progress are discussed.

Original languageEnglish (US)
Pages (from-to)4146-4183
Number of pages38
JournalChemical Reviews
Volume123
Issue number7
DOIs
StatePublished - Apr 12 2023

All Science Journal Classification (ASJC) codes

  • General Chemistry

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