First-Principles Study on Interlayer Spacing and Structure Stability of NiAl-Layered Double Hydroxides.


Journal

ACS omega
ISSN: 2470-1343
Titre abrégé: ACS Omega
Pays: United States
ID NLM: 101691658

Informations de publication

Date de publication:
01 Nov 2022
Historique:
received: 08 08 2022
accepted: 05 10 2022
entrez: 7 11 2022
pubmed: 8 11 2022
medline: 8 11 2022
Statut: epublish

Résumé

Interlayer spacing and structure stability of layered double hydroxides (LDHs) on their application performance in adsorption, ion exchange, catalysis, carrier, and energy storage is important. The effect of different interlayer anions on the interlayer spacing and structure stability of LDHs has been less studied, but it is of great significance. Therefore, based on density functional theory (DFT), the computational model with 10 kinds of anions intercalated Ni

Identifiants

pubmed: 36340068
doi: 10.1021/acsomega.2c05067
pmc: PMC9631724
doi:

Types de publication

Journal Article

Langues

eng

Pagination

39169-39180

Informations de copyright

© 2022 The Authors. Published by American Chemical Society.

Déclaration de conflit d'intérêts

The authors declare no competing financial interest.

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Auteurs

Xiaoliang Wang (X)

College of Materials Science and Engineering, Key Laboratory of Mineral High Value Conversion and Energy Storage Materials of Liaoning Province, Geology and Mineral Engineering Special Materials Professional Technology Innovation Center of Liaoning Province, Liaoning Technical University, Fuxin123000, China.

Haonan Zhao (H)

College of Materials Science and Engineering, Key Laboratory of Mineral High Value Conversion and Energy Storage Materials of Liaoning Province, Geology and Mineral Engineering Special Materials Professional Technology Innovation Center of Liaoning Province, Liaoning Technical University, Fuxin123000, China.

Leiming Chang (L)

College of Materials Science and Engineering, Key Laboratory of Mineral High Value Conversion and Energy Storage Materials of Liaoning Province, Geology and Mineral Engineering Special Materials Professional Technology Innovation Center of Liaoning Province, Liaoning Technical University, Fuxin123000, China.

Zhenqiu Yu (Z)

College of Materials Science and Engineering, Key Laboratory of Mineral High Value Conversion and Energy Storage Materials of Liaoning Province, Geology and Mineral Engineering Special Materials Professional Technology Innovation Center of Liaoning Province, Liaoning Technical University, Fuxin123000, China.

Zhiwu Xiao (Z)

College of Materials Science and Engineering, Key Laboratory of Mineral High Value Conversion and Energy Storage Materials of Liaoning Province, Geology and Mineral Engineering Special Materials Professional Technology Innovation Center of Liaoning Province, Liaoning Technical University, Fuxin123000, China.

Shuwei Tang (S)

College of Materials Science and Engineering, Key Laboratory of Mineral High Value Conversion and Energy Storage Materials of Liaoning Province, Geology and Mineral Engineering Special Materials Professional Technology Innovation Center of Liaoning Province, Liaoning Technical University, Fuxin123000, China.

Chuanhui Huang (C)

School of Mechanical and Electrical Engineering, Xuzhou University of Technology, Xuzhou221111, China.

Jingxin Fan (J)

CCTEG China Coal Research Institute, Beijing100013, China.

Shaobin Yang (S)

College of Materials Science and Engineering, Key Laboratory of Mineral High Value Conversion and Energy Storage Materials of Liaoning Province, Geology and Mineral Engineering Special Materials Professional Technology Innovation Center of Liaoning Province, Liaoning Technical University, Fuxin123000, China.

Classifications MeSH