Title: Particle-based hematite crystallization is invariant to initial particle morphology

Journal Article · · Proceedings of the National Academy of Sciences of the United States of America
ORCiD logo [1];  [2]; ORCiD logo [3]; ORCiD logo [2];  [4]; ORCiD logo [2];  [2];  [2];  [5];  [6]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]
  1. Physical &, Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA 99354, Key Laboratory for Soft Chemistry and Functional Materials, Ministry of Education, Nanjing University of Science and Technology, Nanjing 210094, China
  2. Physical &, Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA 99354
  3. Physical &, Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA 99354, Center of Electron Microscopy, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China, State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China
  4. Physical &, Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA 99354, Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 10083, China
  5. Physical &, Computational Science Directorate, Pacific Northwest National Laboratory, Richland, WA 99354, Materials Science and Engineering, University of Washington, Seattle, WA 98195
  6. Key Laboratory for Soft Chemistry and Functional Materials, Ministry of Education, Nanjing University of Science and Technology, Nanjing 210094, China

Significance Many crystallization processes occurring in nature produce highly ordered hierarchical architectures. Their formation cannot be explained using classical models of monomer-by-monomer growth. One of the possible pathways involves crystallization through the attachment of oriented nanocrystals. Thus, it requires detailed understanding of the mechanism of particle dynamics that leads to their precise crystallographic alignment along specific faces. In this study, we discover a particle-morphology–independent oriented attachment mechanism for hematite nanocrystals. Independent of crystal morphology, particles always align along the [001] direction driven by aligning interactions between (001) faces and repulsive interactions between other pairs of hematite faces. These results highlight that strong face specificity along one crystallographic direction can render oriented attachment to be independent of initial particle morphology.

Research Organization:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Sponsoring Organization:
China Scholarship Council; USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
AC05-76RL01830
OSTI ID:
1854404
Report Number(s):
PNNL-SA-170142; e2112679119
Journal Information:
Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Issue: 11 Vol. 119; ISSN 0027-8424
Publisher:
Proceedings of the National Academy of SciencesCopyright Statement
Country of Publication:
United States
Language:
English

References (84)

Self-Assembly of ZnO: From Nanodots to Nanorods journal April 2002
Large-Scale Plane-Wave-Based Density Functional Theory: Formalism, Parallelization, and Applications book July 2011
Polymer‐in‐“Quasi‐Ionic Liquid” Electrolytes for High‐Voltage Lithium Metal Batteries journal September 2019
Mesocrystals: Inorganic Superstructures Made by Highly Parallel Crystallization and Controlled Alignment journal September 2005
Yeast Cells with an Artificial Mineral Shell: Protection and Modification of Living Cells by Biomimetic Mineralization journal April 2008
Building Hematite Nanostructures by Oriented Attachment journal November 2010
Oriented Gold Nanorod Arrays: Self-Assembly and Optoelectronic Applications journal June 2019
Morphology development and crystal growth in nanocrystalline aggregates under hydrothermal conditions: insights from titania journal May 1999
Performance enhancement mechanism of Mn-based catalysts prepared under N 2 for NO x removal: Evidence of the poor crystallization and oxidation of MnO x journal May 2017
Formation of lead ferrites for immobilizing hazardous lead into iron-rich ceramic matrix journal January 2019
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations journal September 2010
Isotopic tracer evidence for the amorphous calcium carbonate to calcite transformation by dissolution–reprecipitation journal September 2015
Molecular-level understanding of gibbsite particle aggregation in water journal October 2021
Synthesis and characterization of hematite pigment obtained from a steel waste industry journal September 2011
Nonclassical crystallization in vivo et in vitro (II): Nanogranular features in biomimetic minerals disclose a general colloid-mediated crystal growth mechanism journal November 2016
Tiny particles building huge ore deposits – Particle-based crystallisation in banded iron formation-hosted iron ore deposits (Hamersley Province, Australia) journal January 2019
Investigating Processes of Nanocrystal Formation and Transformation via Liquid Cell TEM journal March 2014
In Situ TEM and AFM Investigation of Morphological Controls during the Growth of Single Crystal BaWO 4 journal December 2017
Pressure Induced Nanoparticle Phase Behavior, Property, and Applications journal April 2019
Synthesis of 2D Hexagonal Hematite Nanosheets and the Crystal Growth Mechanism journal November 2019
Revisiting the Growth Mechanism of Hierarchical Semiconductor Nanostructures: The Role of Secondary Nucleation in Branch Formation journal September 2019
Composite Supraparticles with Tunable Light Emission journal August 2017
In Situ Synthesis of γ-AlOOH and Synchronous Adsorption Separation of V(V) from Highly Concentrated Cr(VI) Multiplex Complex solutions journal July 2017
Tuning Growth Modes of Ceria-Based Nanocubes by a Hydrothermal Method journal August 2011
Uniform α-Fe 2 O 3 Nanocrystal Moniliforme-Shape Straight-Chains journal February 2010
Designing PbSe Nanowires and Nanorings through Oriented Attachment of Nanoparticles journal May 2005
Tip Induced Crystallization Lithography journal January 2014
Synthesis, Crystallization Mechanism, and Catalytic Properties of Titanium-Rich TS-1 Free of Extraframework Titanium Species journal August 2008
Oriented Aggregation: Formation and Transformation of Mesocrystal Intermediates Revealed journal February 2010
Synthesis of Monodisperse PbSe Nanorods: A Case for Oriented Attachment journal March 2010
Shape Dependence of Pressure-Induced Phase Transition in CdS Semiconductor Nanocrystals journal March 2020
New Horizons of Nonclassical Crystallization journal May 2019
Surface Ligand Population Controlled Oriented Attachment: A Case of CdS Nanowires journal June 2010
Energy Calculations Predict Nanoparticle Attachment Orientations and Asymmetric Crystal Formation journal September 2012
Colloidal CdSe Quantum Wires by Oriented Attachment journal April 2006
Mechanisms of Oriented Attachment of TiO 2 Nanocrystals in Vacuum and Humid Environments: Reactive Molecular Dynamics journal March 2014
Bonding Pathways of Gold Nanocrystals in Solution journal October 2014
Direction-specific interaction forces underlying zinc oxide crystal growth by oriented attachment journal October 2017
Controlled synthesis of highly-branched plasmonic gold nanoparticles through peptoid engineering journal June 2018
Large-scale genome-wide enrichment analyses identify new trait-associated genes and pathways across 31 human phenotypes journal October 2018
Connecting energetics to dynamics in particle growth by oriented attachment using real-time observations journal February 2020
Crystallization by particle attachment is a colloidal assembly process journal October 2019
Self-similar mesocrystals form via interface-driven nucleation and assembly journal February 2021
Self-assembly of multilevel branched rutile-type TiO2 structures via oriented lateral and twin attachment journal April 2016
Mechanistic aspects of molecular formation and crystallization of zinc oxide nanoparticles in benzyl alcohol journal January 2012
Organic additive-free synthesis of mesocrystalline hematite nanoplates via two-dimensional oriented attachment journal January 2014
Interatomic Coulombic interactions as the driving force for oriented attachment journal January 2014
Magnetic field-induced self-assembly of iron oxide nanocubes journal January 2015
The origin of facet selectivity and alignment in anatase TiO 2 nanoparticles in electrolyte solutions: implications for oriented attachment in metal oxides journal January 2016
Self-assembly of transition-metal-oxide nanoparticle supraparticles with designed architectures and their enhanced lithium storage properties journal January 2016
Investigating the magnitude and source of orientation-dependent interactions between TiO 2 crystal surfaces journal January 2017
Near surface nucleation and particle mediated growth of colloidal Au nanocrystals journal January 2018
Manipulating the water dissociation kinetics of Ni 3 N nanosheets via in situ interfacial engineering journal January 2019
Assembly of nanocube super-structures directed by surface and magnetic interactions journal January 2020
Preparation, properties, and applications of magnetic hematite microparticles journal January 2021
Ordered nanocrystal/silica particles self-assembled from nanocrystal micelles and silicate journal January 2006
The thermodynamics of calcite nucleation at organic interfaces: Classical vs. non-classical pathways journal January 2012
Phase control of hierarchically structured mesoporous anatase TiO2 microspheres covered with {001} facets journal January 2012
Perspective: Fifty years of density-functional theory in chemical physics journal May 2014
NWChem: Past, present, and future journal May 2020
Oriented attachment of particles: 100 years of investigations of non-classical crystal growth journal December 2014
Self-assembly of smallest magnetic particles journal November 2015
Trends in mica–mica adhesion reflect the influence of molecular details on long-range dispersion forces underlying aggregation and coalignment journal July 2017
Biomineralization by particle attachment in early animals journal August 2019
Shape-preserving amorphous-to-crystalline transformation of CaCO 3 revealed by in situ TEM journal February 2020
Generalized norm-conserving pseudopotentials journal August 1989
Efficient pseudopotentials for plane-wave calculations journal January 1991
Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators journal August 1995
First-principles calculation of the structure and magnetic phases of hematite journal April 2004
Efficacious Form for Model Pseudopotentials journal May 1982
Generalized Gradient Approximation Made Simple journal October 1996
Repair of tooth enamel by a biomimetic mineralization frontier ensuring epitaxial growth journal August 2019
Ultrathin PbS Sheets by Two-Dimensional Oriented Attachment journal July 2010
Real-Time Imaging of Pt3Fe Nanorod Growth in Solution journal May 2012
Direction-Specific Interactions Control Crystal Growth by Oriented Attachment journal May 2012
Self-assembly of magnetite nanocubes into helical superstructures journal July 2014
Imperfect Oriented Attachment: Dislocation Generation in Defect-Free Nanocrystals journal August 1998
Aggregation-Based Crystal Growth and Microstructure Development in Natural Iron Oxyhydroxide Biomineralization Products journal August 2000
Crystallization by particle attachment in synthetic, biogenic, and geologic environments journal July 2015
Direction-specific van der Waals attraction between rutile TiO 2 nanocrystals journal April 2017
Structured Water Layers Adjacent to Biological Membranes journal October 2006
Understanding the driving forces for crystal growth by oriented attachment through theory and simulations journal May 2019
Principles of Crystal Nucleation and Growth journal January 2003
Numerical Solution of 3D Poisson-Nernst-Planck Equations Coupled with Classical Density Functional Theory for Modeling Ion and Electron Transport in a Confined Environment journal November 2014