Theoretical search for characteristic atoms in supported gold nanoparticles: a large-scale DFT study-Reference-Cited by-同舟云学术

Theoretical search for characteristic atoms in supported gold nanoparticles: a large-scale DFT study

Published:2024 Issue:30 Volume:26 Page:20251-20260
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Shengzhou¹²^ORCID,Miyazaki Tsuyoshi²^ORCID,Nakata Ayako¹²³^ORCID

Affiliation:

1. Department of Computer Science, University of Tsukuba, Tsukuba, Ibaraki 305-8573, Japan

2. Research Center for Materials Nanoarchitectonics (MANA), National Institute for Materials Science (NIMS), Tsukuba, Ibaraki 305-0044, Japan

3. Precursory Research for Embryonic Science and Technology (PRESTO), Japan Science and Technology Agency (JST), Kawaguchi, Saitama 332-0012, Japan

Abstract

The size and site dependences of isolated and supported gold nanoparticles have been investigated based on local density of states and principal component analysis using large-scale DFT calculations with multi-site support functions.

Funder

Japan Society for the Promotion of Science

Precursory Research for Embryonic Science and Technology

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D4CP01094A

Reference49 articles.

1. Importance of Size and Contact Structure of Gold Nanoparticles for the Genesis of Unique Catalytic Processes

2. Visualizing Gas Molecules Interacting with Supported Nanoparticulate Catalysts at Reaction Conditions

3. Elucidating the electronic structure of supported gold nanoparticles and its relevance to catalysis by means of hard X-ray photoelectron spectroscopy

4. Structural investigation of supported Cun clusters under vacuum and ambient air conditions using EXAFS spectroscopy

5. Consistent size dependency of core-level binding energy shifts and single-electron tunneling effects in supported gold nanoclusters