Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhou, Yannan, Luo, Xuegang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2023
Materias:
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
_version_ 1785117271679565824
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
work_keys_str_mv AT zhouyannan characteristicsofthefrustratedlewispairsflpsonthesurfaceofalbiteandthecorrespondingmechanismofh2activation
AT luoxuegang characteristicsofthefrustratedlewispairsflpsonthesurfaceofalbiteandthecorrespondingmechanismofh2activation