Understanding the driving forces for crystal growth by oriented attachment through theory and simulations

Sushko, Maria L.

doi:10.1557/jmr.2019.151

Understanding the driving forces for crystal growth by oriented attachment through theory and simulations

Journal Article · Mon Sep 16 04:00:00 EDT 2019 · Journal of Materials Research

DOI:https://doi.org/10.1557/jmr.2019.151· OSTI ID:1577061

^[1]

BATTELLE (PACIFIC NW LAB)

Oriented attachment is a particle-based crystallization pathway, in which nanocrystals self-assemble in solution and attach along certain crystallographic direction often forming highly organized three-dimensional crystal morphologies. The pathway offers the potential for a general synthetic approach of hierarchical nanomaterials, in which multiscale structural control is achieved by manipulating the interfacial nucleation and self-assembly of nanoscale building blocks. Here the current status of the development of a predictive theoretical framework for modeling crystallization by oriented attachment is reviewed. A particular emphasis is made on recent developments in the understanding the microscopic details of solvent mediated forces that drive nanocrystal reorientation and alignment for face-selective attachment.

Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1577061

Report Number(s):: PNNL-SA-142177

Journal Information:: Journal of Materials Research, Journal Name: Journal of Materials Research Journal Issue: 17 Vol. 34

Country of Publication:: United States

Language:: English

References (78)

Effect of Ionic Strength on the Kinetics of Crystal Growth by Oriented Aggregation Burrows, Nathan D.; Hale, Christopher R. H.; Penn, R. Lee Crystal Growth & Design, Vol. 12, Issue 10 https://doi.org/10.1021/cg3004849	journal	September 2012
Free-energy model for the inhomogeneous hard-sphere fluid mixture and density-functional theory of freezing Rosenfeld, Yaakov Physical Review Letters, Vol. 63, Issue 9 https://doi.org/10.1103/PhysRevLett.63.980	journal	August 1989
Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways Lifanov, Yuri; Vorselaars, Bart; Quigley, David The Journal of Chemical Physics, Vol. 145, Issue 21 https://doi.org/10.1063/1.4962216	journal	December 2016
Experimental Observation of the Ion–Ion Correlation Effects on Charge Inversion and Strong Adhesion between Mica Surfaces in Aqueous Electrolyte Solutions Tan, Qiyan; Zhao, Gutian; Qiu, Yinghua Langmuir, Vol. 30, Issue 36 https://doi.org/10.1021/la5024357	journal	August 2014
An atomistic simulation scheme for modeling crystal formation from solution Kawska, Agnieszka; Brickmann, Jürgen; Kniep, Rüdiger The Journal of Chemical Physics, Vol. 124, Issue 2 https://doi.org/10.1063/1.2145677	journal	January 2006
Prediction of the effects of size and morphology on the structure of water around hematite nanoparticles Spagnoli, Dino; Gilbert, Benjamin; Waychunas, Glenn A. Geochimica et Cosmochimica Acta, Vol. 73, Issue 14 https://doi.org/10.1016/j.gca.2009.04.005	journal	July 2009
Co-ion dependence of DNA nuclease activity suggests hydrophobic cavitation as a potential source of activation energy Kim, H. -K.; Tuite, E.; Nordén, B. The European Physical Journal E, Vol. 4, Issue 4 https://doi.org/10.1007/s101890170096	journal	April 2001
Derivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite−Water Interface Raiteri, Paolo; Gale, Julian D.; Quigley, David The Journal of Physical Chemistry C, Vol. 114, Issue 13 https://doi.org/10.1021/jp910977a	journal	February 2010
A theoretical study of water adsorption on (10-10) and (0001) ZnO surfaces: molecular cluster, basis set and effective core potential dependence Martins, João B. L.; Moliner, Vicent; Andrés, Juan Journal of Molecular Structure: THEOCHEM, Vol. 330, Issue 1-3 https://doi.org/10.1016/0166-1280(94)03859-J	journal	January 1995
Crystallization by particle attachment in synthetic, biogenic, and geologic environments De Yoreo, J. J.; Gilbert, P. U. P. A.; Sommerdijk, N. A. J. M. Science, Vol. 349, Issue 6247 https://doi.org/10.1126/science.aaa6760	journal	July 2015
Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates Zimmermann, Nils E. R.; Vorselaars, Bart; Quigley, David Journal of the American Chemical Society, Vol. 137, Issue 41 https://doi.org/10.1021/jacs.5b08098	journal	October 2015
Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulations Mester, Zoltan; Panagiotopoulos, Athanassios Z. The Journal of Chemical Physics, Vol. 142, Issue 4 https://doi.org/10.1063/1.4906320	journal	January 2015
Oriented attachment of particles: 100 years of investigations of non-classical crystal growth Ivanov, V. K.; Fedorov, P. P.; Baranchikov, A. Ye Russian Chemical Reviews, Vol. 83, Issue 12 https://doi.org/10.1070/RCR4453	journal	December 2014
Oriented Attachment of Cubic or Spherical BaTiO ₃ Nanocrystals by van der Waals Torque Yasui, Kyuichi; Kato, Kazumi The Journal of Physical Chemistry C, Vol. 119, Issue 43 https://doi.org/10.1021/acs.jpcc.5b06798	journal	October 2015
Morphology development and crystal growth in nanocrystalline aggregates under hydrothermal conditions: insights from titania Penn, R. Lee; Banfield, Jillian F. Geochimica et Cosmochimica Acta, Vol. 63, Issue 10 https://doi.org/10.1016/S0016-7037(99)00037-X	journal	May 1999
Structured Water Layers Adjacent to Biological Membranes Higgins, Michael J.; Polcik, Martin; Fukuma, Takeshi Biophysical Journal, Vol. 91, Issue 7 https://doi.org/10.1529/biophysj.106.085688	journal	October 2006
Crystal growth by oriented attachment: kinetic models and control factors Xue, Xiaogang; Penn, R. Lee; Leite, Edson Roberto CrystEngComm, Vol. 16, Issue 8 https://doi.org/10.1039/c3ce42129e	journal	January 2014
Zeroing in on ice Slater, Ben; Quigley, David Nature Materials, Vol. 13, Issue 7 https://doi.org/10.1038/nmat4017	journal	June 2014
Effect of pH on the Kinetics of Crystal Growth by Oriented Aggregation Burrows, Nathan D.; Hale, Christopher R. H.; Penn, R. Lee Crystal Growth & Design, Vol. 13, Issue 8 https://doi.org/10.1021/cg4001939	journal	July 2013
Oriented attachment and growth, twinning, polytypism, and formation of metastable phases; insights from nanocrystalline TiO ₂ Penn, R. Lee; Banfield, Jillian F. American Mineralogist, Vol. 83, Issue 9-10 https://doi.org/10.2138/am-1998-9-1016	journal	October 1998
Direct measurements of surface forces between bilayers of double-chained quaternary ammonium acetate and bromide surfactants Pashley, R. M.; McGuiggan, P. M.; Ninham, B. W. The Journal of Physical Chemistry, Vol. 90, Issue 8 https://doi.org/10.1021/j100399a037	journal	April 1986
Hydration Forces Leikin, S.; Parsegian, V. A.; Rau, D. C. Annual Review of Physical Chemistry, Vol. 44, Issue 1 https://doi.org/10.1146/annurev.pc.44.100193.002101	journal	October 1993
A quantum-chemical study of the adsorption of water, formaldehyde and ammonia on copper surfaces and water on ZnO(0001) Rodriguez, JoséA.; Campbell, Charles T. Surface Science, Vol. 197, Issue 3 https://doi.org/10.1016/0039-6028(88)90647-4	journal	January 1988
Long-range orientation and atomic attachment of nanocrystals in 2D honeycomb superlattices Boneschanscher, M. P.; Evers, W. H.; Geuchies, J. J. Science, Vol. 344, Issue 6190 https://doi.org/10.1126/science.1252642	journal	May 2014
Stable prenucleation mineral clusters are liquid-like ionic polymers Demichelis, Raffaella; Raiteri, Paolo; Gale, Julian D. Nature Communications, Vol. 2, Issue 1 https://doi.org/10.1038/ncomms1604	journal	September 2011
Molecular layering of water in thin films between mica surfaces and its relation to hydration forces Pashley, Richard M.; Israelachvili, Jacob N. Journal of Colloid and Interface Science, Vol. 101, Issue 2 https://doi.org/10.1016/0021-9797(84)90063-8	journal	October 1984
Anharmonicity in several-polar-mode crystals: adjusting phonon self-energy of LO and TO modes in Al ₂ O ₃ and TiO ₂ to fit infrared reflectivity Gervais, F.; Piriou, B. Journal of Physics C: Solid State Physics, Vol. 7, Issue 13 https://doi.org/10.1088/0022-3719/7/13/017	journal	July 1974
Counterion condensation theory of attraction between like charges in the absence of multivalent counterions Manning, G. S. The European Physical Journal E, Vol. 34, Issue 12 https://doi.org/10.1140/epje/i2011-11132-6	journal	December 2011
A Unified Description of Attachment-Based Crystal Growth Zhang, Hengzhong; De Yoreo, James J.; Banfield, Jillian F. ACS Nano, Vol. 8, Issue 7 https://doi.org/10.1021/nn503145w	journal	June 2014
Stabilizing forces acting on ZnO polar surfaces: STM, LEED, and DFT Xu, H.; Dong, L.; Shi, X. Q. Physical Review B, Vol. 89, Issue 23 https://doi.org/10.1103/PhysRevB.89.235403	journal	June 2014
Stabilization mechanism for the polar ZnO(000 1 ¯ )-O surface Wahl, Roman; Lauritsen, Jeppe V.; Besenbacher, Flemming Physical Review B, Vol. 87, Issue 8 https://doi.org/10.1103/PhysRevB.87.085313	journal	February 2013
Direction-Specific Interactions Control Crystal Growth by Oriented Attachment Li, D.; Nielsen, M. H.; Lee, J. R. I. Science, Vol. 336, Issue 6084 https://doi.org/10.1126/science.1219643	journal	May 2012
Multistage growth of monocrystalline ZnO nanowires and twin-nanorods: oriented attachment and role of the spontaneous polarization force Fan, Baolu; Zhang, Yumeng; Yan, Ruolin CrystEngComm, Vol. 18, Issue 34 https://doi.org/10.1039/C6CE01337F	journal	January 2016
Uniform α-Fe ₂ O ₃ Nanocrystal Moniliforme-Shape Straight-Chains Meng, L-r; Chen, Weimeng; Chen, Chinping Crystal Growth & Design, Vol. 10, Issue 2 https://doi.org/10.1021/cg901116c	journal	February 2010
Equation of state of a charged bilayer system: Measure of the entropy of the lamellar–lamellar transition in DDABr Dubois, M.; Zemb, Th.; Fuller, N. The Journal of Chemical Physics, Vol. 108, Issue 18 https://doi.org/10.1063/1.476505	journal	May 1998
Trends in mica–mica adhesion reflect the influence of molecular details on long-range dispersion forces underlying aggregation and coalignment Li, Dongsheng; Chun, Jaehun; Xiao, Dongdong Proceedings of the National Academy of Sciences, Vol. 114, Issue 29 https://doi.org/10.1073/pnas.1621186114	journal	July 2017
Hydration repulsion between biomembranes results from an interplay of dehydration and depolarization Schneck, E.; Sedlmeier, F.; Netz, R. R. Proceedings of the National Academy of Sciences, Vol. 109, Issue 36 https://doi.org/10.1073/pnas.1205811109	journal	August 2012
Understanding the oriented-attachment growth of nanocrystals from an energy point of view: a review Lv, Weiqiang; He, Weidong; Wang, Xiaoning Nanoscale, Vol. 6, Issue 5 https://doi.org/10.1039/C3NR04717B	journal	January 2014
Water Adsorption on ZnO(0001): Transition from Triangular Surface Structures to a Disordered Hydroxyl Terminated phase Önsten, Anneli; Stoltz, Dunja; Palmgren, Pål The Journal of Physical Chemistry C, Vol. 114, Issue 25 https://doi.org/10.1021/jp1004677	journal	June 2010
Atomic-scale aspects of oriented attachment Fichthorn, Kristen A. Chemical Engineering Science, Vol. 121 https://doi.org/10.1016/j.ces.2014.07.016	journal	January 2015
Disentangling the Effects of Shape and Dielectric Response in van der Waals Interactions between Anisotropic Bodies Hopkins, Jaime C.; Podgornik, Rudolf; Ching, Wai-Yim The Journal of Physical Chemistry C, Vol. 119, Issue 33 https://doi.org/10.1021/acs.jpcc.5b01870	journal	August 2015
Specific Ion Effects: Why DLVO Theory Fails for Biology and Colloid Systems Boström, M.; Williams, D. R. M.; Ninham, B. W. Physical Review Letters, Vol. 87, Issue 16 https://doi.org/10.1103/PhysRevLett.87.168103	journal	October 2001
Infrared dielectric anisotropy and phonon modes of rutile TiO ₂ Schöche, S.; Hofmann, T.; Korlacki, R. Journal of Applied Physics, Vol. 113, Issue 16 https://doi.org/10.1063/1.4802715	journal	April 2013
Characterizing crystal growth by oriented aggregation Penn, R. Lee; Soltis, Jennifer A. CrystEngComm, Vol. 16, Issue 8 https://doi.org/10.1039/c3ce41773e	journal	January 2014
Direction-specific interaction forces underlying zinc oxide crystal growth by oriented attachment Zhang, X.; Shen, Z.; Liu, J. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-00844-6	journal	October 2017
Energy Calculations Predict Nanoparticle Attachment Orientations and Asymmetric Crystal Formation Zhang, Hengzhong; Banfield, Jillian F. The Journal of Physical Chemistry Letters, Vol. 3, Issue 19 https://doi.org/10.1021/jz301161j	journal	September 2012
Mechanisms of Oriented Attachment of TiO ₂ Nanocrystals in Vacuum and Humid Environments: Reactive Molecular Dynamics Raju, Muralikrishna; van Duin, Adri C. T.; Fichthorn, Kristen A. Nano Letters, Vol. 14, Issue 4 https://doi.org/10.1021/nl404533k	journal	March 2014
Real-Time Imaging of Pt3Fe Nanorod Growth in Solution Liao, H. -G.; Cui, L.; Whitelam, S. Science, Vol. 336, Issue 6084 https://doi.org/10.1126/science.1219185	journal	May 2012
Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate Raiteri, Paolo; Gale, Julian D. Journal of the American Chemical Society, Vol. 132, Issue 49 https://doi.org/10.1021/ja108508k	journal	December 2010
Competing stabilization mechanism for the polar ZnO(0001)-Zn surface Kresse, Georg; Dulub, Olga; Diebold, Ulrike Physical Review B, Vol. 68, Issue 24 https://doi.org/10.1103/PhysRevB.68.245409	journal	December 2003
Forces and ionic transport between mica surfaces: implications for pressure solution Alcantar, Norma; Israelachvili, Jacob; Boles, Jim Geochimica et Cosmochimica Acta, Vol. 67, Issue 7 https://doi.org/10.1016/S0016-7037(02)01270-X	journal	April 2003
Hydration Force between Mica Surfaces in Aqueous KCl Electrolyte Solution Leng, Yongsheng Langmuir, Vol. 28, Issue 12 https://doi.org/10.1021/la204603y	journal	March 2012
A classical view on nonclassical nucleation Smeets, Paul J. M.; Finney, Aaron R.; Habraken, Wouter J. E. M. Proceedings of the National Academy of Sciences, Vol. 114, Issue 38 https://doi.org/10.1073/pnas.1700342114	journal	September 2017
Self-Assembly of ZnO: From Nanodots to Nanorods Pacholski, Claudia; Kornowski, Andreas; Weller, Horst Angewandte Chemie International Edition, Vol. 41, Issue 7 https://doi.org/10.1002/1521-3773(20020402)41:7<1188::AID-ANIE1188>3.0.CO;2-5	journal	April 2002
Can oriented-attachment be an efficient growth mechanism for the synthesis of 1D nanocrystals via atomic layer deposition? Wen, Kechun; He, Weidong Nanotechnology, Vol. 26, Issue 38 https://doi.org/10.1088/0957-4484/26/38/382001	journal	September 2015
Charge fluctuations and membrane attractions Pincus, P. A.; Safran, S. A. Europhysics Letters (EPL), Vol. 42, Issue 1 https://doi.org/10.1209/epl/i1998-00559-8	journal	April 1998
Structures and Mechanisms of Water Adsorption on ZnO(0001) and GaN(0001) Surface Ye, Honggang; Chen, Guangde; Niu, Haibo The Journal of Physical Chemistry C, Vol. 117, Issue 31 https://doi.org/10.1021/jp312847r	journal	July 2013
Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions Wallace, A. F.; Hedges, L. O.; Fernandez-Martinez, A. Science, Vol. 341, Issue 6148 https://doi.org/10.1126/science.1230915	journal	August 2013
Adhesion and short-range forces between surfaces. Part II: Effects of surface lattice mismatch McGuiggan, Patricia M.; Israelachvili, Jacob N. Journal of Materials Research, Vol. 5, Issue 10 https://doi.org/10.1557/JMR.1990.2232	journal	October 1990
Force interactions and adhesion of gold contacts using a combined atomic force microscope and transmission electron microscope Erts, D.; Lõhmus, A.; Lõhmus, R. Applied Surface Science, Vol. 188, Issue 3-4 https://doi.org/10.1016/S0169-4332(01)00933-3	journal	March 2002
Investigating Processes of Nanocrystal Formation and Transformation via Liquid Cell TEM Nielsen, Michael H.; Li, Dongsheng; Zhang, Hengzhong Microscopy and Microanalysis, Vol. 20, Issue 2 https://doi.org/10.1017/S1431927614000294	journal	March 2014
Direction-specific van der Waals attraction between rutile TiO ₂ nanocrystals Zhang, Xin; He, Yang; Sushko, Maria L. Science, Vol. 356, Issue 6336 https://doi.org/10.1126/science.aah6902	journal	April 2017
Density-Functional Theory for Complex Fluids Wu, Jianzhong; Li, Zhidong Annual Review of Physical Chemistry, Vol. 58, Issue 1 https://doi.org/10.1146/annurev.physchem.58.032806.104650	journal	May 2007
Theory of the Stability of Lyophobic Colloids. Verwey, E. J. W. The Journal of Physical and Colloid Chemistry, Vol. 51, Issue 3 https://doi.org/10.1021/j150453a001	journal	March 1947
Advanced Inorganic Nanoarchitectures from Oriented Self-Assembly Lu, Chenguang; Tang, Zhiyong Advanced Materials, Vol. 28, Issue 6 https://doi.org/10.1002/adma.201502869	journal	October 2015
Water adsorption on the hydroxylated H-(1 × 1) O-ZnO(0001̄) surface Schiek, M.; Al-Shamery, K.; Kunat, M. Physical Chemistry Chemical Physics, Vol. 8, Issue 13 https://doi.org/10.1039/b515418a	journal	January 2006
Pre-nucleation clusters as solute precursors in crystallisation Gebauer, Denis; Kellermeier, Matthias; Gale, Julian D. Chem. Soc. Rev., Vol. 43, Issue 7 https://doi.org/10.1039/C3CS60451A	journal	January 2014
Hamaker constants of inorganic materials Bergström, Lennart Advances in Colloid and Interface Science, Vol. 70 https://doi.org/10.1016/S0001-8686(97)00003-1	journal	July 1997
Temperature dependence of transverse- and longitudinal-optic modes in Ti O 2 (rutile) Gervais, François; Piriou, Bernard Physical Review B, Vol. 10, Issue 4 https://doi.org/10.1103/PhysRevB.10.1642	journal	August 1974
Electrical Double Layer Structure Revisited via a Surface Force Apparatus: Mica Interfaces in Lithium Nitrate Solutions Shubin, Victor E.; Kékicheff, Patrick Journal of Colloid and Interface Science, Vol. 155, Issue 1 https://doi.org/10.1006/jcis.1993.1016	journal	January 1993
Why Are Polar Surfaces of ZnO Stable? Mora-Fonz, David; Lazauskas, Tomas; Farrow, Matthew R. Chemistry of Materials, Vol. 29, Issue 12 https://doi.org/10.1021/acs.chemmater.7b01487	journal	May 2017
Designing PbSe Nanowires and Nanorings through Oriented Attachment of Nanoparticles Cho, Kyung-Sang; Talapin, Dmitri V.; Gaschler, Wolfgang Journal of the American Chemical Society, Vol. 127, Issue 19 https://doi.org/10.1021/ja050107s	journal	May 2005
The origin of facet selectivity and alignment in anatase TiO ₂ nanoparticles in electrolyte solutions: implications for oriented attachment in metal oxides Sushko, M. L.; Rosso, K. M. Nanoscale, Vol. 8, Issue 47 https://doi.org/10.1039/C6NR06953C	journal	January 2016
Sampling the structure of calcium carbonate nanoparticles with metadynamics Quigley, D.; Freeman, C. L.; Harding, J. H. The Journal of Chemical Physics, Vol. 134, Issue 4 https://doi.org/10.1063/1.3530288	journal	January 2011
The non-classical nucleation of crystals: microscopic mechanisms and applications to molecular crystals, ice and calcium carbonate Sear, R. P. International Materials Reviews, Vol. 57, Issue 6 https://doi.org/10.1179/1743280411Y.0000000015	journal	November 2012
Interatomic Coulombic interactions as the driving force for oriented attachment Zhang, Hengzhong; Banfield, Jillian F. CrystEngComm, Vol. 16, Issue 8 https://doi.org/10.1039/C3CE41929K	journal	January 2014
Measurements of the Effect of Angular Lattice Mismatch on the Adhesion Energy Between two Mica Surfaces in Water Mcguiggan, Patricia M.; Israelachvili, Jacob N. MRS Proceedings, Vol. 138 https://doi.org/10.1557/PROC-138-349	journal	January 1988
Erratum: “Equation of state of a charged bilayer system: Measure of the entropy of the lamellar–lamellar transition in DDABr” [J. Chem. Phys. 108 , 7855 (1998)] Dubois, M.; Zemb, Th.; Fuller, N. The Journal of Chemical Physics, Vol. 109, Issue 19 https://doi.org/10.1063/1.477540	journal	November 1998

Similar Records

Mesocrystal growth through oriented sliding and attachment of nanoplates

Journal Article · Sun Dec 14 19:00:00 EST 2025 · Nature Communications · OSTI ID:3010972

Crystallization pathways and interfacial drivers for the formation of hierarchical architectures

Journal Article · Wed Oct 12 20:00:00 EDT 2022 · Journal of Crystal Growth · OSTI ID:1898132

Understanding the driving forces for crystal growth by oriented attachment through theory and simulations

Citation Formats

References (78)

Similar Records

Related Subjects