Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study.
Journal
ACS omega
ISSN: 2470-1343
Titre abrégé: ACS Omega
Pays: United States
ID NLM: 101691658
Informations de publication
Date de publication:
03 Oct 2023
03 Oct 2023
Historique:
received:
27
07
2023
accepted:
31
08
2023
medline:
9
10
2023
pubmed:
9
10
2023
entrez:
9
10
2023
Statut:
epublish
Résumé
Hydrogen is currently considered as the best alternative for traditional fuels due to its sustainable and ecofriendly nature. Additionally, hydrogen dissociation is a critical step in almost all hydrogenation reactions, which is crucial in industrial chemical production. A cost-effective and efficient catalyst with favorable activity for this step is highly desirable. Herein, transition-metal-doped fullerene (TM@C
Identifiants
pubmed: 37810689
doi: 10.1021/acsomega.3c05477
pmc: PMC10552115
doi:
Types de publication
Journal Article
Langues
eng
Pagination
36493-36505Informations de copyright
© 2023 The Authors. Published by American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
Références
J Mol Model. 2013 Jan;19(1):255-61
pubmed: 22872416
ACS Nano. 2019 Feb 26;13(2):2643-2653
pubmed: 30753056
Biomaterials. 2022 Feb;281:121325
pubmed: 34953332
Phys Chem Chem Phys. 2019 Mar 27;21(13):6900-6907
pubmed: 30863835
Environ Sci Technol. 2022 Apr 5;56(7):4447-4456
pubmed: 35230835
Angew Chem Int Ed Engl. 2023 May 8;62(20):e202218210
pubmed: 36920979
J Comput Chem. 2012 Feb 15;33(5):580-92
pubmed: 22162017
Chem Commun (Camb). 2007 Aug 28;(32):3371-3
pubmed: 18019502
Nanomaterials (Basel). 2023 Jan 06;13(2):
pubmed: 36678006
Angew Chem Int Ed Engl. 2020 Nov 16;59(47):20794-20812
pubmed: 31912616
RSC Adv. 2022 Aug 26;12(37):24397-24411
pubmed: 36128520
Angew Chem Int Ed Engl. 2008;47(41):7876-9
pubmed: 18773403
ACS Omega. 2023 Apr 10;8(15):14077-14088
pubmed: 37091387
Nanomaterials (Basel). 2022 Dec 21;13(1):
pubmed: 36615939
J Chem Theory Comput. 2012 Jan 10;8(1):99-105
pubmed: 26592872
Adv Sci (Weinh). 2022 Jan;9(3):e2103773
pubmed: 34784105
J Am Chem Soc. 2020 Apr 1;142(13):5943-5947
pubmed: 32187495
Nat Commun. 2021 Jul 28;12(1):4587
pubmed: 34321467
Chem Rev. 2020 Nov 11;120(21):11986-12043
pubmed: 33112599
Nanoscale. 2012 Aug 7;4(15):4370-81
pubmed: 22706450