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Interlayer Magnetic Ordering in Two-Dimensional Metal-Organic Frameworks for Electrocatalytic Oxygen Reduction: A Grand Canonical Density Functional Theory Study.

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Title: Interlayer Magnetic Ordering in Two-Dimensional Metal-Organic Frameworks for Electrocatalytic Oxygen Reduction: A Grand Canonical Density Functional Theory Study.
Authors: Lin CB; Key Laboratory of Functional Molecular Solids Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241002, Anhui, P. R. China.; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China., Fang SY; Key Laboratory of Functional Molecular Solids Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241002, Anhui, P. R. China.; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China., Chen M; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China., Luo ZR; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China., Chen WX; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China., Zhuang GL; Key Laboratory of Functional Molecular Solids Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241002, Anhui, P. R. China.; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China.
Source: Inorganic chemistry [Inorg Chem] 2025 Dec 22; Vol. 64 (50), pp. 24565-24578. Date of Electronic Publication: 2025 Dec 05.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 0366543 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-510X (Electronic) Linking ISSN: 00201669 NLM ISO Abbreviation: Inorg Chem Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Interlayer Magnetic Ordering in Two-Dimensional Metal-Organic Frameworks for Electrocatalytic Oxygen Reduction: A Grand Canonical Density Functional Theory Study.
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  Data: <searchLink fieldCode="AU" term="%22Lin+CB%22">Lin CB</searchLink>; Key Laboratory of Functional Molecular Solids Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241002, Anhui, P. R. China.; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China.<br /><searchLink fieldCode="AU" term="%22Fang+SY%22">Fang SY</searchLink>; Key Laboratory of Functional Molecular Solids Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241002, Anhui, P. R. China.; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China.<br /><searchLink fieldCode="AU" term="%22Chen+M%22">Chen M</searchLink>; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China.<br /><searchLink fieldCode="AU" term="%22Luo+ZR%22">Luo ZR</searchLink>; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China.<br /><searchLink fieldCode="AU" term="%22Chen+WX%22">Chen WX</searchLink>; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China.<br /><searchLink fieldCode="AU" term="%22Zhuang+GL%22">Zhuang GL</searchLink>; Key Laboratory of Functional Molecular Solids Ministry of Education, College of Chemistry and Materials Science, Anhui Normal University, Wuhu 241002, Anhui, P. R. China.; H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, P. R. China.
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  Data: <searchLink fieldCode="JN" term="%220366543%22">Inorganic chemistry</searchLink> [Inorg Chem] 2025 Dec 22; Vol. 64 (50), pp. 24565-24578. <i>Date of Electronic Publication: </i>2025 Dec 05.
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        Value: 10.1021/acs.inorgchem.5c04059
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              Text: 2025 Dec 22
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