Computational insights into aqueous speciation of metal-oxide nanoclusters: an in-depth study of the Keggin phosphomolybdate-Reference-Cited by-同舟云学术

Computational insights into aqueous speciation of metal-oxide nanoclusters: an in-depth study of the Keggin phosphomolybdate

Published:2024 Issue:35 Volume:15 Page:14218-14227
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Buils Jordi¹²^ORCID,Garay-Ruiz Diego¹^ORCID,Segado-Centellas Mireia¹²^ORCID,Petrus Enric¹³^ORCID,Bo Carles¹²^ORCID

Affiliation:

1. Institute of Chemical Research of Catalonia (ICIQ-CERCA), The Barcelona Institute of Science and Technology, Av. Països Catalans 16, 43007 Tarragona, Spain

2. Departament de Química Física i Química Inorgànica, Universitat Rovira i Virgili (URV), Marcel·lí Domingo, 43007 Tarragona, Spain

3. Eawag: Swiss Federal Institute of Aquatic Science and Technology, Überlandstrasse 133, 8600 Dübendorf, Switzerland

Abstract

Herein, we present a new computational methodology that unlocks the prediction of the complex multi-species multi-equilibria processes involved in the formation of complex metal-oxo nanoclusters.

Funder

Institut Català d'Investigació Química

Ministerio de Ciencia, Innovación y Universidades

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/SC/D4SC03282A

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