Wave function analyses of scandium-doped aluminium clusters, AlnSc (<i>n</i>= 1–24), and their CO<sub>2</sub>fixation abilities-Reference-Cited by-同舟云学术

Wave function analyses of scandium-doped aluminium clusters, AlnSc (n= 1–24), and their CO₂fixation abilities

Published:2023 Issue:28 Volume:25 Page:18854-18865
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Guevara-Vela José Manuel¹^ORCID,la Vega Arturo Sauza-de²^ORCID,Gallegos Miguel³,Martín Pendás Ángel³^ORCID,Rocha-Rinza Tomas⁴^ORCID

Affiliation:

1. Departamento de Química Física Aplicada. Universidad Autónoma de Madrid, Madrid 28049, Spain

2. Department of Chemistry, University of Chicago, Chicago, IL 60637, USA

3. Department of Analytical and Physical Chemistry, University of Oviedo, E-33006, Oviedo, Spain

4. Instituto de Química, Universidad Nacional Autónoma de México, Circuito Exterior, Ciudad Universitaria, Delegación Coyoacán C.P. 04510, Ciudad de México, Mexico

Abstract

We address the effect of Sc-doping on the structure and chemical bonding of Al clusters. Selected Sc-doped Al clusters adsorb and distort the CO2molecule very strongly, an observation that could lead to the use of these systems in carbon capture.

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/D3CP01730C

Reference84 articles.

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