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Title: Nature of peptide wrapping onto metal nanoparticle catalysts and driving forces for size control

Abstract

Colloidal metal nanocrystals find many applications in catalysis, energy conversion devices, and therapeutics. However, the nature of ligand interactions and implications on shape control have remained uncertain at the atomic scale. Large differences in peptide adsorption strength and facet specificity were found on flat palladium surfaces versus surfaces of nanoparticles of 2 to 3 nm size using accurate atomistic simulations with the Interface force field. Folding of longer peptides across many facets explains the formation of near-spherical particles with local surface disorder, in contrast to the possibility of nanostructures of higher symmetry with shorter ligands. The average particle size in TEM correlates inversely with the surface coverage with a given ligand and with the strength of ligand adsorption. The role of specific amino acids and sequence mutations on the nanoparticle size and facet composition is discussed, as well as the origin of local surface disorder that leads to large differences in catalytic reactivity.

Authors:
; ; ; ; ; ORCiD logo
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); UT-Battelle LLC/ORNL, Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1565588
DOE Contract Number:  
AC02-06CH11357; AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Nanoscale
Additional Journal Information:
Journal Volume: 9; Journal Issue: 24; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Science & Technology - Other Topics; Materials Science; Physics

Citation Formats

Ramezani-Dakhel, Hadi, Bedford, Nicholas M., Woehl, Taylor J., Knecht, Marc R., Naik, Rajesh R., and Heinz, Hendrik. Nature of peptide wrapping onto metal nanoparticle catalysts and driving forces for size control. United States: N. p., 2017. Web. doi:10.1039/c7nr02813j.
Ramezani-Dakhel, Hadi, Bedford, Nicholas M., Woehl, Taylor J., Knecht, Marc R., Naik, Rajesh R., & Heinz, Hendrik. Nature of peptide wrapping onto metal nanoparticle catalysts and driving forces for size control. United States. doi:10.1039/c7nr02813j.
Ramezani-Dakhel, Hadi, Bedford, Nicholas M., Woehl, Taylor J., Knecht, Marc R., Naik, Rajesh R., and Heinz, Hendrik. Sun . "Nature of peptide wrapping onto metal nanoparticle catalysts and driving forces for size control". United States. doi:10.1039/c7nr02813j.
@article{osti_1565588,
title = {Nature of peptide wrapping onto metal nanoparticle catalysts and driving forces for size control},
author = {Ramezani-Dakhel, Hadi and Bedford, Nicholas M. and Woehl, Taylor J. and Knecht, Marc R. and Naik, Rajesh R. and Heinz, Hendrik},
abstractNote = {Colloidal metal nanocrystals find many applications in catalysis, energy conversion devices, and therapeutics. However, the nature of ligand interactions and implications on shape control have remained uncertain at the atomic scale. Large differences in peptide adsorption strength and facet specificity were found on flat palladium surfaces versus surfaces of nanoparticles of 2 to 3 nm size using accurate atomistic simulations with the Interface force field. Folding of longer peptides across many facets explains the formation of near-spherical particles with local surface disorder, in contrast to the possibility of nanostructures of higher symmetry with shorter ligands. The average particle size in TEM correlates inversely with the surface coverage with a given ligand and with the strength of ligand adsorption. The role of specific amino acids and sequence mutations on the nanoparticle size and facet composition is discussed, as well as the origin of local surface disorder that leads to large differences in catalytic reactivity.},
doi = {10.1039/c7nr02813j},
journal = {Nanoscale},
issn = {2040-3364},
number = 24,
volume = 9,
place = {United States},
year = {2017},
month = {1}
}

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