Theory of Anisotropic Metal Nanostructures

Fichthorn, Kristen A.

doi:10.1021/acs.chemrev.2c00831

Theory of Anisotropic Metal Nanostructures

Journal Article · Tue Mar 21 00:00:00 EDT 2023 · Chemical Reviews

DOI:https://doi.org/10.1021/acs.chemrev.2c00831· OSTI ID:1975742

^[1]

Pennsylvania State University, University Park, PA (United States); Penn State University

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. Here, 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.

View Accepted Manuscript (DOE)

Research Organization:: Pennsylvania State Univ., University Park, PA (United States); Pennsylvania State University, University Park, PA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: FG02-07ER46414

OSTI ID:: 1975742

Alternate ID(s):: OSTI ID: 2395909

Journal Information:: Chemical Reviews, Journal Name: Chemical Reviews Journal Issue: 7 Vol. 123; ISSN 0009-2665

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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