Density-Functional Tight-Binding Study of Carbonaceous Species Diffusion on the (100)-γ-Al
Journal
ACS omega
ISSN: 2470-1343
Titre abrégé: ACS Omega
Pays: United States
ID NLM: 101691658
Informations de publication
Date de publication:
31 Mar 2020
31 Mar 2020
Historique:
received:
15
01
2020
accepted:
05
03
2020
entrez:
8
4
2020
pubmed:
8
4
2020
medline:
8
4
2020
Statut:
epublish
Résumé
Carbonaceous or oxy-carbon species are intermediates formed during C
Identifiants
pubmed: 32258922
doi: 10.1021/acsomega.0c00203
pmc: PMC7114690
doi:
Types de publication
Journal Article
Langues
eng
Pagination
6862-6871Informations de copyright
Copyright © 2020 American Chemical Society.
Déclaration de conflit d'intérêts
The authors declare no competing financial interest.
Références
J Comput Chem. 2018 Jan 15;39(2):105-116
pubmed: 29047123
J Comput Chem. 2016 Aug 5;37(21):1983-92
pubmed: 27317328
Phys Rev Lett. 2008 Apr 4;100(13):136406
pubmed: 18517979
J Chem Theory Comput. 2012 Apr 10;7(4):931-948
pubmed: 23204947
Phys Rev B Condens Matter. 1995 May 15;51(19):12947-12957
pubmed: 9978089
J Chem Theory Comput. 2016 Jan 12;12(1):53-64
pubmed: 26587758
Phys Rev B Condens Matter. 1996 Oct 15;54(16):11169-11186
pubmed: 9984901
ChemCatChem. 2017 Apr 7;9(7):1222-1229
pubmed: 28515795
ACS Omega. 2018 Feb 13;3(2):1881-1888
pubmed: 31458500
J Chem Theory Comput. 2007 Jan;3(1):26-41
pubmed: 26627148
J Phys Chem B. 2005 Apr 14;109(14):6714-21
pubmed: 16851755
J Comput Chem. 2019 Jun 5;40(15):1538-1549
pubmed: 30828839
Chem Rev. 2016 May 25;116(10):5987-6041
pubmed: 27120134
Phys Rev Lett. 2003 Jun 13;90(23):238302
pubmed: 12857293
J Comput Chem. 2011 May;32(7):1456-65
pubmed: 21370243
J Hazard Mater. 2012 Jul 30;225-226:146-54
pubmed: 22609394
Phys Chem Chem Phys. 2017 Feb 1;19(5):3679-3687
pubmed: 28094369
Proc Natl Acad Sci U S A. 2002 Oct 1;99(20):12562-6
pubmed: 12271136
Phys Chem Chem Phys. 2017 Mar 29;19(13):9092-9095
pubmed: 28317052
J Chem Theory Comput. 2014 Oct 14;10(10):4633-4643
pubmed: 25328497
Phys Chem Chem Phys. 2012 Jun 7;14(21):7629-39
pubmed: 22513877
Theochem. 2008;861(1-3):68-73
pubmed: 19122761
J Chem Theory Comput. 2014 Jan 14;10(1):451-462
pubmed: 25104919