skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Evaluating differences in the active-site electronics of supported Au nanoparticle catalysts using Hammett and DFT studies

Abstract

Not provided.

Authors:
ORCiD logo; ; ; ; ; ; ; ; ORCiD logo
Publication Date:
Research Org.:
Pennsylvania State Univ., University Park, PA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1539778
DOE Contract Number:  
SC0016192
Resource Type:
Journal Article
Journal Name:
Nature Chemistry
Additional Journal Information:
Journal Volume: 10; Journal Issue: 3; Journal ID: ISSN 1755-4330
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Kumar, Gaurav, Tibbitts, Luke, Newell, Jaclyn, Panthi, Basu, Mukhopadhyay, Ahana, Rioux, Robert M., Pursell, Christopher J., Janik, Michael, and Chandler, Bert D. Evaluating differences in the active-site electronics of supported Au nanoparticle catalysts using Hammett and DFT studies. United States: N. p., 2018. Web. doi:10.1038/nchem.2911.
Kumar, Gaurav, Tibbitts, Luke, Newell, Jaclyn, Panthi, Basu, Mukhopadhyay, Ahana, Rioux, Robert M., Pursell, Christopher J., Janik, Michael, & Chandler, Bert D. Evaluating differences in the active-site electronics of supported Au nanoparticle catalysts using Hammett and DFT studies. United States. doi:10.1038/nchem.2911.
Kumar, Gaurav, Tibbitts, Luke, Newell, Jaclyn, Panthi, Basu, Mukhopadhyay, Ahana, Rioux, Robert M., Pursell, Christopher J., Janik, Michael, and Chandler, Bert D. Mon . "Evaluating differences in the active-site electronics of supported Au nanoparticle catalysts using Hammett and DFT studies". United States. doi:10.1038/nchem.2911.
@article{osti_1539778,
title = {Evaluating differences in the active-site electronics of supported Au nanoparticle catalysts using Hammett and DFT studies},
author = {Kumar, Gaurav and Tibbitts, Luke and Newell, Jaclyn and Panthi, Basu and Mukhopadhyay, Ahana and Rioux, Robert M. and Pursell, Christopher J. and Janik, Michael and Chandler, Bert D.},
abstractNote = {Not provided.},
doi = {10.1038/nchem.2911},
journal = {Nature Chemistry},
issn = {1755-4330},
number = 3,
volume = 10,
place = {United States},
year = {2018},
month = {1}
}

Works referenced in this record:

The Active Site of Methanol Synthesis over Cu/ZnO/Al2O3 Industrial Catalysts
journal, April 2012


Structure-Function Relations in Molybdenum Sulfide Catalysts: The "Rim-Edge" Model
journal, October 1994


The Promotional Effect of Gold in Catalysis by Palladium-Gold
journal, October 2005


Nanoparticles for Heterogeneous Catalysis: New Mechanistic Insights
journal, December 2012

  • Schauermann, Swetlana; Nilius, Niklas; Shaikhutdinov, Shamil
  • Accounts of Chemical Research, Vol. 46, Issue 8
  • DOI: 10.1021/ar300225s

Electronic perturbations
journal, July 2012


Dry Reforming of Methane on a Highly-Active Ni-CeO 2 Catalyst: Effects of Metal-Support Interactions on C−H Bond Breaking
journal, May 2016

  • Liu, Zongyuan; Grinter, David C.; Lustemberg, Pablo G.
  • Angewandte Chemie International Edition, Vol. 55, Issue 26
  • DOI: 10.1002/anie.201602489

A New Type of Strong Metal–Support Interaction and the Production of H 2 through the Transformation of Water on Pt/CeO 2 (111) and Pt/CeO x /TiO 2 (110) Catalysts
journal, May 2012

  • Bruix, Albert; Rodriguez, José A.; Ramírez, Pedro J.
  • Journal of the American Chemical Society, Vol. 134, Issue 21
  • DOI: 10.1021/ja302070k

Counting electrons on supported nanoparticles
journal, December 2015

  • Lykhach, Yaroslava; Kozlov, Sergey M.; Skála, Tomáš
  • Nature Materials, Vol. 15, Issue 3
  • DOI: 10.1038/nmat4500

Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles
journal, March 2011

  • Vayssilov, Georgi N.; Lykhach, Yaroslava; Migani, Annapaola
  • Nature Materials, Vol. 10, Issue 4
  • DOI: 10.1038/nmat2976

Role of Metal–Support Interactions, Particle Size, and Metal–Metal Synergy in CuNi Nanocatalysts for H 2 Generation
journal, August 2015


Selective oxidation with dioxygen by gold nanoparticle catalysts derived from 55-atom clusters
journal, August 2008

  • Turner, Mark; Golovko, Vladimir B.; Vaughan, Owain P. H.
  • Nature, Vol. 454, Issue 7207
  • DOI: 10.1038/nature07194

CO 2 Hydrogenation over Oxide-Supported PtCo Catalysts: The Role of the Oxide Support in Determining the Product Selectivity
journal, May 2016

  • Kattel, Shyam; Yu, Weiting; Yang, Xiaofang
  • Angewandte Chemie International Edition, Vol. 55, Issue 28
  • DOI: 10.1002/anie.201601661

Active Site of an Industrial Catalyst
journal, May 2012


Influence of the support on surface rearrangements of bimetallic nanoparticles in real catalysts
journal, October 2014


Influence of Charge on the Reactivity of Supported Heterogeneous Transition Metal Catalysts
journal, July 2015


Electronic interactions and charge transfers of metal atoms and clusters on oxide surfaces
journal, January 2013

  • Pacchioni, Gianfranco
  • Physical Chemistry Chemical Physics, Vol. 15, Issue 6
  • DOI: 10.1039/c2cp43731g

Gold Catalysis
journal, December 2006

  • Hashmi, A. Stephen K.; Hutchings, Graham J.
  • Angewandte Chemie International Edition, Vol. 45, Issue 47
  • DOI: 10.1002/anie.200602454

Catalysis by Supported Gold Nanoparticles: Beyond Aerobic Oxidative Processes
journal, May 2012

  • Stratakis, Manolis; Garcia, Hermenegildo
  • Chemical Reviews, Vol. 112, Issue 8
  • DOI: 10.1021/cr3000785

Chemoselective Hydrogenation of Nitro Compounds with Supported Gold Catalysts
journal, July 2006


The critical role of water at the gold-titania interface in catalytic CO oxidation
journal, September 2014


Activation of Molecular Oxygen and the Nature of the Active Oxygen Species for CO Oxidation on Oxide Supported Au Catalysts
journal, December 2013

  • Widmann, D.; Behm, R. J.
  • Accounts of Chemical Research, Vol. 47, Issue 3
  • DOI: 10.1021/ar400203e

The Important Role of Hydroxyl on Oxidation Catalysis by Gold Nanoparticles
journal, November 2013

  • Ide, Matthew S.; Davis, Robert J.
  • Accounts of Chemical Research, Vol. 47, Issue 3
  • DOI: 10.1021/ar4001907

Update on selective oxidation using gold
journal, January 2012

  • Pina, Cristina Della; Falletta, Ermelinda; Rossi, Michele
  • Chem. Soc. Rev., Vol. 41, Issue 1
  • DOI: 10.1039/C1CS15089H

Supported gold nanoparticles as catalysts for organic reactions
journal, January 2008

  • Corma, Avelino; Garcia, Hermenegildo
  • Chemical Society Reviews, Vol. 37, Issue 9
  • DOI: 10.1039/b707314n

Predicting Gold-Mediated Catalytic Oxidative-Coupling Reactions from Single Crystal Studies
journal, December 2013

  • Xu, Bingjun; Madix, Robert J.; Friend, Cynthia M.
  • Accounts of Chemical Research, Vol. 47, Issue 3
  • DOI: 10.1021/ar4002476

Gold-Catalyzed Synthesis of Aromatic Azo Compounds from Anilines and Nitroaromatics
journal, December 2008


A Collaborative Effect between Gold and a Support Induces the Selective Oxidation of Alcohols
journal, June 2005

  • Abad, Alberto; Concepción, Patricia; Corma, Avelino
  • Angewandte Chemie International Edition, Vol. 44, Issue 26
  • DOI: 10.1002/anie.200500382

Deposition of Gold Clusters on Porous Coordination Polymers by Solid Grinding and Their Catalytic Activity in Aerobic Oxidation of Alcohols
journal, September 2008

  • Ishida, Tamao; Nagaoka, Megumi; Akita, Tomoki
  • Chemistry - A European Journal, Vol. 14, Issue 28
  • DOI: 10.1002/chem.200800980

Catalyst Parameters Determining Activity and Selectivity of Supported Gold Nanoparticles for the Aerobic Oxidation of Alcohols: The Molecular Reaction Mechanism
journal, November 2007

  • Abad, Alberto; Corma, Avelino; García, Hermenegildo
  • Chemistry - A European Journal, Vol. 14, Issue 1
  • DOI: 10.1002/chem.200701263

Mechanistic Investigation of the Gold-catalyzed Aerobic Oxidation of Alcohols
journal, October 2007

  • Fristrup, Peter; Johansen, Louise Bahn; Christensen, Claus Hviid
  • Catalysis Letters, Vol. 120, Issue 3-4
  • DOI: 10.1007/s10562-007-9301-8

Spin Trapping of Au−H Intermediate in the Alcohol Oxidation by Supported and Unsupported Gold Catalysts
journal, May 2009

  • Conte, Marco; Miyamura, Hiroyuki; Kobayashi, Shu̅
  • Journal of the American Chemical Society, Vol. 131, Issue 20
  • DOI: 10.1021/ja809883c

The Effect of Structure upon the Reactions of Organic Compounds. Benzene Derivatives
journal, January 1937

  • Hammett, Louis P.
  • Journal of the American Chemical Society, Vol. 59, Issue 1
  • DOI: 10.1021/ja01280a022

Using Thiol Adsorption on Supported Au Nanoparticle Catalysts To Evaluate Au Dispersion and the Number of Active Sites for Benzyl Alcohol Oxidation
journal, March 2015

  • Panthi, Basu; Mukhopadhyay, Ahana; Tibbitts, Luke
  • ACS Catalysis, Vol. 5, Issue 4
  • DOI: 10.1021/cs501942t

CO Adsorption on Supported Gold Nanoparticle Catalysts: Application of the Temkin Model
journal, May 2012

  • Pursell, Christopher J.; Chandler, Bert D.; Manzoli, Maela
  • The Journal of Physical Chemistry C, Vol. 116, Issue 20
  • DOI: 10.1021/jp3022826

Origin of Photoactivity of Nitrogen-Doped Titanium Dioxide under Visible Light
journal, December 2006

  • Livraghi, Stefano; Paganini, Maria Cristina; Giamello, Elio
  • Journal of the American Chemical Society, Vol. 128, Issue 49
  • DOI: 10.1021/ja064164c

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

The Isoelectric Points of Solid Oxides, Solid Hydroxides, and Aqueous Hydroxo Complex Systems
journal, April 1965