<i>In silico</i>characterization of nanoparticles-Reference-Cited by-同舟云学术

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In silicocharacterization of nanoparticles

Published:2023 Issue:19 Volume:25 Page:13228-13243
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Kirchhoff Björn¹^ORCID,Jung Christoph¹²³^ORCID,Gaissmaier Daniel¹²³^ORCID,Braunwarth Laura¹,Fantauzzi Donato¹,Jacob Timo¹²³^ORCID

Affiliation:

1. Institute of Electrochemistry, Ulm University, Albert-Einstein-Allee 47, 89081 Ulm, Germany

2. Helmholtz-Institute Ulm (HIU) Electrochemical Energy Storage, Helmholtz-Straße 16, 89081 Ulm, Germany

3. Karlsruhe Institute of Technology (KIT), P.O. Box 3640, 76021 Karlsruhe, Germany

Abstract

This tutorial-review article introduces and compares various ways of analyzing simulations of nanoparticle model systems. Code examples are providedviaan online tutorial.

Funder

Bundesministerium für Bildung und Forschung

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP01073B

Reference187 articles.

1. Design criteria for stable Pt/C fuel cell catalysts

2. Platinum Metal Catalysts of High-Index Surfaces: From Single-Crystal Planes to Electrochemically Shape-Controlled Nanoparticles

3. Bridging the gap between nanoparticles and single crystal surfaces

4. Atomic-Scale Modeling of Particle Size Effects for the Oxygen Reduction Reaction on Pt

5. Roughening of Pt nanoparticles induced by surface-oxide formation

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