An ab initio investigation of the adsorption properties of water on binary AlSi clusters-Reference-Cited by-同舟云学术

An ab initio investigation of the adsorption properties of water on binary AlSi clusters

Published:2020 Issue:42 Volume:22 Page:24669-24676
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gomes Alexandre C. R.¹²³⁴⁵^ORCID,de Souza Tiago M.¹²³⁴⁵,Da Silva Juarez L. F.⁶⁷⁸⁵^ORCID,Galvão Breno R. L.¹²³⁴⁵^ORCID

Affiliation:

1. Departamento de Química

2. Centro Federal de Educação Tecnológica de Minas Gerais

3. CEFET-MG

4. (30421-169) Belo Horizonte

5. Brazil

6. São Carlos Institute of Chemistry

7. University of São Paulo

8. São Carlos

Abstract

Nanoalloys represent potential catalysts for the water splitting reaction. The water–cluster interaction is a key aspect of the process, but is not fully understood. This work provides an in-depth study and insights into the AlxSiy·H₂O case.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Agência Nacional do Petróleo, Gás Natural e Biocombustíveis

Shell

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Fundação de Amparo à Pesquisa do Estado de Minas Gerais

Fundação de Amparo à Pesquisa do Estado de São Paulo

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02974B

Reference41 articles.

1. Geometric and electronic properties of Si-atom doped Al clusters: robustness of binary superatoms against charging

2. Structure, Thermochemical Properties, and Growth Sequence of Aluminum-Doped Silicon Clusters SinAlm (n = 1–11, m = 1–2) and Their Anions

3. Theoretical study of the geometries and dissociation energies of molecular water on neutral aluminum clusters Aln (n = 2–25)

4. Complementary Active Sites Cause Size-Selective Reactivity of Aluminum Cluster Anions with Water

5. Size, Adsorption Site, and Spin Effects in the Reaction of Al Clusters with Water Molecules: Al17 and Al28 as Examples

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. H2 generation from catalytic water dissociation on doped nanocluster Pt6X (X=C, Si, and Ge);Physics Letters A;2022-04