Structural characterisation of nanoalloys for (photo)catalytic applications with the Sapphire library-Reference-Cited by-同舟云学术

Structural characterisation of nanoalloys for (photo)catalytic applications with the Sapphire library

Published:2023 Issue: Volume:242 Page:326-352
ISSN:1359-6640
Container-title:Faraday Discussions
language:en
Short-container-title:Faraday Discuss.

Author:

Jones Robert M.¹^ORCID,Rossi Kevin²,Zeni Claudio³,Vanzan Mirko⁴,Vasiljevic Igor⁵,Santana-Bonilla Alejandro¹,Baletto Francesca¹⁵^ORCID

Affiliation:

1. Physics Department, King's College London, Strand WC2R 2LS, UK

2. Ecole Polytechnique Federale de Lausanne, Laboratory of Nanochemistry for Energy, 1950, Sion, Switzerland

3. International School for Advanced Studies, Via Bonomea, 265, 34136 Trieste, TS, Italy

4. Department of Chemical Sciences, University of Padovua, Via Marzolo1, 2, 35131,22, Padova, Italy

5. Physics Department, Universitá di Milano “La Statale”, Via Celoria 16, I-20133, Italy

Abstract

We present an open-source library, Sapphire, to classify the characteristics of nanoalloys through several structural analysis techniques. We focus on using geometrical descriptors to make predictions on a given nanoparticle's catalytic activity.

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/FD/D2FD00097K

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