Adsorption characteristics of citric acid on Fe3O4 (001), (011), and (111) surfaces.
Citric acid
Fe3O4
First-principles
Magnetite
Journal
Journal of molecular modeling
ISSN: 0948-5023
Titre abrégé: J Mol Model
Pays: Germany
ID NLM: 9806569
Informations de publication
Date de publication:
29 Oct 2021
29 Oct 2021
Historique:
received:
15
07
2021
accepted:
11
10
2021
entrez:
29
10
2021
pubmed:
30
10
2021
medline:
30
10
2021
Statut:
epublish
Résumé
Magnetite (001), (011), and (111) surfaces were the focus of our study. Magnetite (001) surface has two different terminations, that is, Fe
Identifiants
pubmed: 34714407
doi: 10.1007/s00894-021-04950-7
pii: 10.1007/s00894-021-04950-7
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
332Informations de copyright
© 2021. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.
Références
Yin Y, Alivisatos AP (2005) Colloidal nanocrystal synthesis and the organic-inorganic interface. Nature 437:664–670
doi: 10.1038/nature04165
Kovalenko MV, Bodnarchuk MI, Lechner RT, Hesser G, Schffler F, Heiss W (2007) Fatty acid salts as stabilizers in size- and shape-controlled nanocrystal synthesis: the case of inverse spinel iron oxide. J Am Chem Soc 129:6352–6353
doi: 10.1021/ja0692478
Basavegowda N, Magar KBS, Mishra K, Lee YR (2014) Green fabrication of ferromagnetic Fe
doi: 10.1039/C4NJ01155D
Sousa FL, Bustamante R, Millan A, Palacio F, Trindade T, Silva NJO (2013) Magnetically responsive dry fluids. Nanoscale 5:7229–7233
doi: 10.1039/c3nr01784b
Iida H, Takayanagi K, Nakanishi T, Osaka T (2007) Synthesis of Fe
doi: 10.1016/j.jcis.2007.05.047
Ashour RM, El-sayed R, Abdel-Magied AF, Abdel-khalek AA, Ali MM, Forsberg K, Uheida A, Muhammed M, Dutta J (2017) Selective separation of rare earth ions from aqueous solution using functionalized magnetite nanoparticles: kinetic and thermodynamic studies. Chem Eng J 327:286–296
doi: 10.1016/j.cej.2017.06.101
Bahadur A, Saeed A, Shoaib M, Iqbal S, Bashir MI, Waqas M, Hussain MN, Abbas N (2017) Ecofriendly synthesis of magnetite (Fe
doi: 10.1016/j.matchemphys.2017.05.061
Xing Y, Jin YY, Si JC, Peng ML, Wang XF, Chen C, Cui YL (2015) Controllable synthesis and characterization of Fe
doi: 10.1016/j.jmmm.2014.09.060
Kirkpatrick S, Gelatt CD, Vecchi MP (1983) Optimization by simulated annealing. Science 220:671–680
doi: 10.1126/science.220.4598.671
Gale JD, Rohl AL (2003) The general utility lattice program (GULP). Mol Simulation 29:291–341
doi: 10.1080/0892702031000104887
Mayo SL, Olafson BD, and Goddard WA. Dreiding: a generic forcefield. J Phys Chem, 94:8897–8909, 1990.
Rappe AK, Goddard WA (1991). J Phys Chem 95:3358
doi: 10.1021/j100161a070
Soler JM, Artacho E, Gale JD, Garcia A, Junquera J, Ordejon P, Sanchez-Portal D (2002) The siesta method for ab initio order-N materials simulation. J Phys: Condens Matter 14:2745
Troullier N, Martins JL (1991) Efficient pseudopotentials for plane-wave calculations. Phys Rev B 43:1993–2006
doi: 10.1103/PhysRevB.43.1993
Xue P, Zhaoming F, Chu X (2014) Yanxing Zhang, and ZongXian Yang. Appl Surface Sci 317:752–759
doi: 10.1016/j.apsusc.2014.09.002
Yu X, Tian X, Wang S (2014). Surface Sci 628:141–147
doi: 10.1016/j.susc.2014.06.004
Perdew JP, Burke K, Ernzerhof M (1996). Phys Rev Lett 77:3865
doi: 10.1103/PhysRevLett.77.3865
Haavik C, Stlen S, Fjellvg H, Hanfland M, Husermann D (2000) Equation of state of magnetite and its high-pressure modification: thermodynamics of the Fe-O system at high pressure. Am Mineral 85:514–523
doi: 10.2138/am-2000-0413