Control of crystallite and particle size in the synthesis of layered double hydroxides: Macromolecular insights and a complementary modeling tool

Journal of Colloid and Interface Science

Volumn 468, Issue , 2016, Pages 86-94

  Galvão, Tiago L P ^a   Neves, Cristina S ^a   Caetano, Ana P F ^a   Maia, Frederico ^a   Mata, Diogo ^b   Malheiro, Eliana ^b   Ferreira, Maria J ^b   Bastos, Alexandre C ^a   Salak, Andrei N ^a   Gomes, José R B ^a   Tedim, João ^a   Ferreira, Mário G S ^a  

^a UNIVERSITY OF AVEIRO   (Portugal)

^b Small Materials and Technologies   (Portugal)

Author keywords

Hydrogeochemical modeling; Layered double hydroxides; Ostwald ripening; Periodic DFT

Indexed keywords

ALUMINUM; CRYSTAL STRUCTURE; HYDROCHEMISTRY; HYDROTHERMAL SYNTHESIS; OSTWALD RIPENING; PARTICLE SIZE; ZINC;

DISSOLUTION PROCESS; FUNCTIONAL MOLECULES; HYDRODYNAMIC PARTICLES; HYDROGEOCHEMICAL MODEL; HYDROTHERMAL TREATMENTS; INTERMEDIATE MATERIALS; LAYERED DOUBLE HYDROXIDES; PERIODIC DFT;

CRYSTALLITE SIZE;

ALUMINUM; CHEMICAL COMPOUND; HYDROXIDE; LAYERED DOUBLE HYDROXIDE; NITRATE; UNCLASSIFIED DRUG; ZINC;

ARTICLE; CHEMICAL MODEL; CRYSTAL STRUCTURE; CRYSTALLIZATION; DENSITY FUNCTIONAL THEORY; DISSOLUTION; HYDRODYNAMICS; HYDROGEOCHEMICAL MODELING; PARTICLE SIZE; PH; PRECIPITATION; PRIORITY JOURNAL; SCALE UP; SYNTHESIS; TEMPERATURE;

EID: 84961305246     PISSN: 00219797     EISSN: 10957103     Source Type: Journal    
DOI: 10.1016/j.jcis.2016.01.038     Document Type: Article

References (57)

1. Duan X., Evans D.G. Layered Double Hydroxides 2006, Springer, Berlin.
2. Larin A.V. The loewenstein rule: the increase in electron kinetic energy as the reason for instability of Al-O-Al linkage in aluminosilicate zeolites. Phys. Chem. Min. 2013, 40:771-780. 10.1007/s00269-013-0611-7.
3. Bellotto M., Rebours B., Clause O., Lynch J., Bazin D., Elkaim E. A reexamination of hydrotalcite crystal chemistry. J. Phys. Chem. 1996, 100:8527-8534. 10.1021/jp960039j.
4. Salak A.N., Lisenkov A.D., Zheludkevich M.L., Ferreira M.G.S. Carbonate-free Zn-Al (1:1) layered double hydroxide film directly grown on zinc-aluminum alloy coating. ECS Electrochem. Lett. 2014, 3:C9-C11. 10.1149/2.008401eel.
5. Fan G., Li F., Evans D.G., Duan X. Catalytic applications of layered double hydroxides: recent advances and perspectives. Chem. Soc. Rev. 2014, 43:7040-7066. 10.1039/C4CS00160E.
6. He S., An Z., Wei M., Evans D.G., Duan X. Layered double hydroxide-based catalysts: nanostructure design and catalytic performance. Chem. Commun. 2013, 49:5912-5920. 10.1039/C3CC42137F.
7. Li C., Wei M., Evans D.G., Duan X. Layered double hydroxide-based nanomaterials as highly efficient catalysts and adsorbents. Small 2014, 10:4469-4486. 10.1002/smll.201401464.
8. Touati S., Mansouri H., Bengueddach A., Roy A., Forano C., Prevot V. Nanostructured layered double hydroxide aerogels with enhanced adsorption properties. Chem. Commun. 2012, 48:7197-7199. 10.1039/C2CC31817B.
9. Khan A.I., Lei L., Norquist A.J., O'Hare D. Intercalation and controlled release of pharmaceutically active compounds from a layered double hydroxide. Chem. Commun. 2001, 2342-2343. 10.1039/B106465G.
10. Cunha V.R.R., Petersen P.A.D., Gonçalves M.B., Petrilli H.M., Taviot-Gueho C., Leroux F., Temperini M.L.A., Constantino V.R.L. Structural, spectroscopic (NMR, IR, and Raman), and DFT investigation of the self-assembled nanostructure of pravastatin-LDH (layered double hydroxides) systems. Chem. Mater. 2012, 24:1415-1425. 10.1021/cm202953y.
11. Chowdhury P.R., Bhattacharyya K.G. Ni/Ti layered double hydroxide: synthesis, characterization and application as a photocatalyst for visible light degradation of aqueous methylene blue. Dalton Trans. 2015, 44:6809-6824. 10.1039/c5dt00257e.
12. Dou Y., Han J., Wang T., Wei M., Evans D.G., Duan X. Temperature-controlled electrochemical switch based on layered double hydroxide/poly(N-isopropylacrylamide) ultrathin films fabricated via layer-by-layer assembly. Langmuir 2012, 28:9535-9542. 10.1021/la3012603.
13. Zhou L.-J., Huang X., Chen H., Jin P., Li G.-D., Zou X. A high surface area flower-like Ni-Fe layered double hydroxide for electrocatalytic water oxidation reaction. Dalton Trans. 2015, 44:11592-11600. 10.1039/c5dt01474c.
14. Yang R., Gao Y., Wang J., Wang Q. Layered double hydroxide (LDH) derived catalysts for simultaneous catalytic removal of soot and NO(x). Dalton Trans. 2014, 43:10317-10327. 10.1039/c3dt52896k.
15. Shchukin D.G., Zheludkevich M., Yasakau K., Lamaka S., Ferreira M.G.S., Möhwald H. Layer-by-layer assembled nanocontainers for self-healing corrosion protection. Adv. Mater. 2006, 18:1672-1678. 10.1002/adma.200502053.
16. Tedim J., Poznyak S.K., Kuznetsova A., Raps D., Hack T., Zheludkevich M.L., Ferreira M.G.S. Enhancement of active corrosion protection via combination of inhibitor-loaded nanocontainers. ACS Appl. Mater. Interfaces 2010, 2:1528-1535. 10.1021/am100174t.
17. M.G.S. Ferreira, M. Zheludkevich, J. Tedim, V. Gubert, T. Schmidt-Hansberg, T. Hack, S. Nixon, D. Raps, D. Becker, S. Schröder, Process for Coating Metallic Surfaces with Coating Compositions Containing Particles of a Layered Double Hydroxide, Universidade de Aveiro, Chemetall GmbH, EADS Deutschl, GmbH, Mankiewicz Gebr. & Co., GmbH & Co. KG, WO/2013/156541, October 24, 2013.
18. Tedim J., Zheludkevich M.L., Salak A.N., Lisenkov A., Ferreira M.G.S. Nanostructured LDH-container layer with active protection functionality. J. Mater. Chem. 2011, 21:15464-15470. 10.1039/C1JM12463C.
19. Poznyak S.K., Tedim J., Rodrigues L.M., Salak A.N., Zheludkevich M.L., Dick L.F.P., Ferreira M.G.S. Novel inorganic host layered double hydroxides intercalated with guest organic inhibitors for anticorrosion applications. ACS Appl. Mater. Interfaces 2009, 12:353-2362. 10.1021/am900495r.
20. Tedim J., Kuznetsova A., Salak A.N., Montemor F., Snihirova D., Pilz M., Zheludkevich M.L., Ferreira M.G.S. Zn-Al layered double hydroxides as chloride nanotraps in active protective coatings. Corros. Sci. 2012, 55:1-4. 10.1016/j.corsci.2011.10.003.
21. Liu J., Huang X., Li Y., Sulieman K.M., He X., Sun F. Facile and large-scale production of ZnO/Zn-Al layered double hydroxide hierarchical heterostructures. J. Phys. Chem. B 2006, 110:21865-21872. 10.1021/jp064487v.
22. Valente J.S., Sánchez-Cantú M., Lima E., Figueras F. Method for large-scale production of multimetallic layered double hydroxides: formation mechanism discernment. Chem. Mater. 2009, 21:5809-5818. 10.1021/cm902377p.
23. Sun X., Neuperger E., Dey S.K. Insights into the synthesis of layered double hydroxide (LDH) nanoparticles: part 1. Optimization and controlled synthesis of chloride-intercalated LDH. J. Colloid Interface Sci. 2015, 459:264-272. 10.1016/j.jcis.2015.07.073.
24. Sun X., Dey S.K. Insights into the synthesis of layered double hydroxide (LDH) nanoparticles: part 2. Formation mechanisms of LDH. J. Colloid Interface Sci. 2015, 458:160-168. 10.1016/j.jcis.2015.06.025.
25. Thomas G.S., Kamath V. Line broadening in the PXRD patterns of layered hydroxides: the relative effects of crystallite size and structural disorder. J. Chem. Sci. 2006, 118:127-133. 10.1007/BF02708774.
26. Xu Q., Ni Z.-m., Mao J.-h. First principles study of microscopic structures and layer-anion interactions in layered double hydroxides intercalated various univalent anions. J. Mol. Struct.: THEOCHEM 2009, 915:122-131. 10.1016/j.theochem.2009.08.033.
27. 2O as a continuous function of nitrate anions. J. Phys. Chem. B 2001, 105:1743-1749. DOI: 0.1021/jp0029257.
28. Costa D.G., Rocha A.B., Souza W.F., Chiaro S.S.X., Leitão A.A. Comparative structural, thermodynamic and electronic analyses of Zn-Al-An-hydrotalcite-like Compounds (An-, Cl-, F-, Br-, OH-, CO32- or NO3-): an ab initio study. Appl. Clay Sci. 2012, 56:16-22. 10.1016/j.clay.2011.11.014.
29. Salak A.N., Tedim J., Kuznetsova A.I., Ribeiro J.L., Vieira L.G., Zheludkevich M.L., Ferreira M.G.S. Comparative X-ray diffraction and infrared spectroscopy study of Zn-Al layered double hydroxides: vanadate vs nitrate. Chem. Phys. 2012, 397:102-108. 10.1016/j.chemphys.2012.01.026.
30. Zhao Y., Li F., Zhang R., Evans D.G., Duan X. Preparation of layered double-hydroxide nanomaterials with a uniform crystallite size using a new method involving separate nucleation and aging steps. Chem. Mater. 2002, 14:4286-4291. 10.1021/cm020370h.
31. Yun S.K., Pinnavaia T.J. Water content and particle texture of synthetic hydrotalcite-like layered double hydroxides. Chem. Mater. 1995, 7:348-354. 10.1021/cm00050a017.
32. Cavani F., Trifirò F., Vaccari A. Hydrotalcite-type anionic clays: preparation, properties and applications. Cat. Today 1991, 11:173-301. 10.1016/0920-5861(91)80068-K.
33. Giannozzi P., Baroni S., Bonini N., Calra M., Car R., Cavazzoni C., Ceresoli D., Chiarotti G.L., Cococcioni M., Dabo I., Corso A.D., de Gironcoli S., Fabris S., Fratesi G., Gebauer R., Gerstmann U., Gougoussis C., Kokalj A., Lazzeri M., Martin-Samos L., Marzari N., Mauri F., Mazzarello R., Paolini S., Pasquarello A., Paulatto L., Sbraccia C., Scolo S., Sclauzero G., Seitsonen A.P., Smogunov A., Umari P., Wentzcovitch R.M. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials. J. Phys.: Condens. Matter 2009, 21:395502. 10.1088/0953-8984/21/39/395502.
34. Hamann D.R., Schluter M., Chiang C. Norm-conserving pseudopotentials. Phys. Rev. Lett. 1979, 43:1494-1497. 10.1103/PhysRevLett. 43.1494.
35. Troullier N., Martins J.L. Efficient pseudopotentials for plane-wave calculations. Phys. Rev. B 1991, 43:1993-2006. 10.1103/PhysRevB.43.1993.
36. Marzari N., Verbilt D., Vita A., Payne M.C. Thermal contraction and disordering of the Al(110) surface. Phys. Rev. Lett. 1999, 82:3296-3299. 10.1103/PhysRevLett. 82.3296.
37. Monkhorst H.J., Pack J.D. Special points for brillouin-zone integrations. Phys. Rev. B 1976, 13:5188-5292. 10.1103/PhysRevB.13.5188.
38. Costa D.G., Rocha A.B., Diniz R., Souza W.F., Shirley S., Chiaro X., Leitão A.A. Structural model proposition and thermodynamic and vibrational analysis of hydrotalcite-like compounds by DFT calculations. J. Phys. Chem. C 2010, 114:14133-14140. 10.1021/jp1033646.
39. Parkhurst D.L., Appelo C.A.J. Description of Input, Examples for PHREEQC Version 3-A Computer Program for Speciation, Batch-reaction, One-dimensional Transport, and Inverse Geochemical Calculations 2013, U.S. Geological Survey, Denver, Colorado.
40. U.S. Environmental Protection Agency, MINTEQA2/PRODEFA2, A Geochemical Assessment Model for Environmental Systems - User Annual Supplement for Version 4.0, National Exposure Research Laboratory, Athens, Georgia, 1999.
41. D.L. Parkhurst, D.C. Thorstenson, L.N. Plummer, PHREEQE-A Computer Program for Geochemical Calculations: U.S. Geological Survey Water-Resources Investigations Report, Denver, Colorado, 1980.
42. Salak A.N., Tedim J., Kuznetsova A.I., Zheludkevich M.L., Ferreira M.G.S. Anion exchange in Zn-Al layered double hydroxides. In situ X-ray diffraction study. Chem. Phys. Lett. 2010, 495:73-76. 10.1016/j.cplett.2010.06.041.
43. Radha A.V., Kamath P.V., Shivakumara C. Conservation of order, disorder, and "crystallinity" during anion-exchange reactions among layered double hydroxides (LDHs) of Zn with Al. J. Phys. Chem. B 2007, 111:3411-3418. 10.1021/jp0684170.
44. Xu Z.P., Stevenson G., Lu C.-Q., Lu G.Q. Dispersion and size control of layered double hydroxide nanoparticles in aqueous solutions. J. Phys. Chem. B 2006, 110:16923-16929. 10.1021/jp062281o.
45. Liu Z., Ma R., Osada M., Iyi N., Ebina Y., Takada K., Sasaki T. Synthesis, anion exchange, and delamination of Co-Al layered double hydroxide: assembly of the exfoliated nanosheet/polyanion composite films and magneto-optical studies. J. Am. Chem. Soc. 2006, 128:4872-4880. 10.1021/ja0584471.
46. Abellán G., Coronado E., Martí-Gastaldo C., Pinilla-Cienfuegos E., Ribera A. Hexagonal nanosheets from the exfoliation of Ni2+-Fe3+ LDHs: a route towards layered multifunctional materials. J. Mater. Chem. 2010, 20:7451-7455. 10.1039/C0JM01447H.
47. Alemán J.V., Chadwick A.V., He J., Hess M., Horie K., Jones R.G., Kratochvíl P., Meisel I., Mita I., Moad G., Penczek S., Stepto R.F.T. Definitions of terms relating to the structure and processing of sols, gels, networks, and inorganic-organic hybrid materials (IUPAC Recommendations 2007). Pure Appl. Chem. 2007, 79:1801-1829. 10.1351/pac200779101801.
48. Buchheit R.G., Guan H., Mahajanam S., Wong F. Active corrosion protection and corrosion sensing in chromate-free organic coatings. Prog. Org. Coat. 2003, 47:174-182. 10.1016/j.porgcoat.2003.08.003.
49. Barriga C., Jones W., Malet P., Rives V., Ulibarri M.A. Synthesis and characterization of polyoxovanadate-pillared Zn-Al layered double hydroxides: an X-ray absorption and diffraction study. Inorg. Chem. 1998, 37:1812-1820. 10.1021/ic9709133.
50. Weir M.R., Kydd R.A. Synthesis of heteropolyoxometalate-pillared Mg/Al, Mg/Ga, and Zn/Al layered double hydroxides via LDH-hydroxide precursors. Inorg. Chem. 1998, 37:5619-5624. 10.1021/ic9805067.
51. Sato T., Fujita H., Endo T., Shimada M. Synthesis of hydrotalcite-like compounds and their physico-chemical properties. React. Solids 1988, 5:219-228. 10.1246/cl.1973.843.
52. Lide D.R. CRC Hand book of Chemistry and Physics 2005, CRC Press, Boca Raton, FL.
53. Mourino V., Cattalini J.P., Boccaccini A.R. Metallic ions as therapeutic agents in tissue engineering scaffolds: an overview of their biological applications and strategies for new developments. J. R. Soc. Interface 2012, 68:401-419. 10.1098/rsif.2011.0611.
54. Plum L.M., Rink L., Haase H. The essential toxin: impact of zinc on human health. Int. J. Environ. Res. Public Health 2010, 7:1342-1365. 10.3390/ijerph7041342.
55. Basu D., Das A., Stöckelhuber K.W., Wagenknecht U., Heinrich G. Advances in layered double hydroxide (LDH)-based elastomer composites. Prog. Pol. Sci. 2014, 39:594-626. 10.1016/j.progpolymsci.2013.07.011.
56. Parello M.L., Rojas R., Giacomelli C.E. Dissolution kinetics and mechanism of Mg-Al layered double hydroxides: a simple approach to describe drug release in acid media. J. Colloid Interface Sci. 2010, 351:134-139. 10.1016/j.jcis.2010.07.053.
57. 3: LDH formation mechanism. Chem. Mater. 2005, 17:1055-1062. 10.1021/cm048085g.