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Characteristics of the Frustrated Lewis Pairs (FLPs) on the Surface of Albite and the Corresponding Mechanism of H(2) Activation
The characteristics of frustrated Lewis pairs (FLPs) on albite surfaces were analyzed with density functional theory, and the reaction mechanism for H(2) activation by the FLPs was studied. The results show that albite is an ideal substrate material with FLPs, and its (001) and (010) surfaces have t...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10558424/ https://www.ncbi.nlm.nih.gov/pubmed/37803405 http://dx.doi.org/10.1002/open.202300058 |
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author | Zhou, Yannan Luo, Xuegang |
author_facet | Zhou, Yannan Luo, Xuegang |
author_sort | Zhou, Yannan |
collection | PubMed |
description | The characteristics of frustrated Lewis pairs (FLPs) on albite surfaces were analyzed with density functional theory, and the reaction mechanism for H(2) activation by the FLPs was studied. The results show that albite is an ideal substrate material with FLPs, and its (001) and (010) surfaces have the typical characteristics of FLPs. In the case of H(2) activation, the interaction between the HOMO of H(2) and the SOMO of the Lewis base and the electron acceptance characteristics of the Lewis acid are the key factors. In fact, the activation energy of H(2) is the required activation energy from the ground state to the excited state, and once the excited state is produced, the dissociative adsorption of H(2) will occur directly. This study provides a new ideas and a reference for research on the construction of novel solid FLPs catalysts using ultramicro channel materials. |
format | Online Article Text |
id | pubmed-10558424 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-105584242023-10-08 Characteristics of the Frustrated Lewis Pairs (FLPs) on the Surface of Albite and the Corresponding Mechanism of H(2) Activation Zhou, Yannan Luo, Xuegang ChemistryOpen Research Articles The characteristics of frustrated Lewis pairs (FLPs) on albite surfaces were analyzed with density functional theory, and the reaction mechanism for H(2) activation by the FLPs was studied. The results show that albite is an ideal substrate material with FLPs, and its (001) and (010) surfaces have the typical characteristics of FLPs. In the case of H(2) activation, the interaction between the HOMO of H(2) and the SOMO of the Lewis base and the electron acceptance characteristics of the Lewis acid are the key factors. In fact, the activation energy of H(2) is the required activation energy from the ground state to the excited state, and once the excited state is produced, the dissociative adsorption of H(2) will occur directly. This study provides a new ideas and a reference for research on the construction of novel solid FLPs catalysts using ultramicro channel materials. John Wiley and Sons Inc. 2023-10-06 /pmc/articles/PMC10558424/ /pubmed/37803405 http://dx.doi.org/10.1002/open.202300058 Text en © 2023 The Authors. ChemistryOpen published by Wiley-VCH GmbH https://creativecommons.org/licenses/by/4.0/This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Research Articles Zhou, Yannan Luo, Xuegang Characteristics of the Frustrated Lewis Pairs (FLPs) on the Surface of Albite and the Corresponding Mechanism of H(2) Activation |
title | Characteristics of the Frustrated Lewis Pairs (FLPs) on the Surface of Albite and the Corresponding Mechanism of H(2) Activation |
title_full | Characteristics of the Frustrated Lewis Pairs (FLPs) on the Surface of Albite and the Corresponding Mechanism of H(2) Activation |
title_fullStr | Characteristics of the Frustrated Lewis Pairs (FLPs) on the Surface of Albite and the Corresponding Mechanism of H(2) Activation |
title_full_unstemmed | Characteristics of the Frustrated Lewis Pairs (FLPs) on the Surface of Albite and the Corresponding Mechanism of H(2) Activation |
title_short | Characteristics of the Frustrated Lewis Pairs (FLPs) on the Surface of Albite and the Corresponding Mechanism of H(2) Activation |
title_sort | characteristics of the frustrated lewis pairs (flps) on the surface of albite and the corresponding mechanism of h(2) activation |
topic | Research Articles |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10558424/ https://www.ncbi.nlm.nih.gov/pubmed/37803405 http://dx.doi.org/10.1002/open.202300058 |
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