AGGREGATION MECHANISMS OF 1-NM DIAMETER NIO NANOCLUSTERS
Abstract
The aggregation processes of NiO nanoparticles have been studied to some extent in ideal environments, i.e., gas and aqueous solutions, but their interaction mechanisms between aqueous media and nanoclusters are still not fully understood. In this work, the environmental effect on the aggregation process of NiO nanoclusters with a size of about 1 nm has been studied using molecular dynamics simulations. Obtained results show that (1) nanoclusters are located at a longer distance from each other in aqueous media in comparison to vacuum due to the hydrodynamic shell (with a thickness of 0.08 nm) formed around the NiO nanoaggregates affected by the aqueous environment, and (2) the stability of NiO nanoclusters in the water environment decreases as a result of the formation of the hydrodynamic shell. Overall, these results suggest that a better understanding of the tuning of nanocatalyst size will lead to the selective synthesis of nanomaterials with unique properties, which are the basis of nanotechnology.
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List of references
Z. Lu and Y. Yin, Colloidal Nanoparticle Clusters: Functional Materials by Design, Chem. Soc. Rev. 2012, 41, 6874.
Huang, He, et al. Colloidal Lead Halide Perovskite Nanocrystals: Synthesis, Optical Properties and Applications, NPG Asia Mater. 2016, 8, e328.
Hu, Jiangtao, et al. Controlled Growth and Electrical Properties of Heterojunctions of Carbon Nanotubes and Silicon Nanowires, Nature 1999, 399, 48.
Jin, Rongchao, et al. Atomically Precise Colloidal Metal Nanoclusters and Nanoparticles: Fundamentals and Opportunities, Chem. Rev. 2016, 116, 10346.
Swagten, H. J. M., et al. Enhanced Giant Magnetoresistance in Spin-Valves Sandwiched between Insulating NiO, Phys. Rev. 1996, B 53, 9108.
Yang, Huaming, et al. Solid-State Synthesis and Electrochemical Property of SnO2/NiO Nanomaterials, J. Alloys Compd. 2008, 459, 98.
Harraz, F. A., et al. Composition and Phase Control of Ni/NiO Nanoparticles for Photocatalytic Degradation of EDTA, J. Alloys Compd. 2010, 508, 133.
Hayat, Khizar, et al. Effect of Operational Key Parameters on Photocatalytic Degradation of Phenol Using Nano Nickel Oxide Synthesized by Sol–Gel Method, J. Mol. Catal. Chem. 2011, 336, 64.
J. Bandara and J. P. Yasomanee, P-Type Oxide Semiconductors as Hole Collectors in Dye-Sensitized Solid-State Solar Cells, Semicond. Sci. Technol. 2006, 22, 20.
A. Aslani, V. Oroojpour, and M. Fallahi, Sonochemical Synthesis, Size Controlling and Gas Sensing Properties of NiO Nanoparticles, Appl. Surf. Sci. 2011, 257, 4056.
Liu, Bin, et al. Synthesis and Enhanced Gas-Sensing Properties of Ultralong NiO Nanowires Assembled with NiO Nanocrystals, Sens. Actuators B Chem. 2011, 156, 251.
Chen, Zhixiong, et al. Evaluation of Thermal Conductivity of Deionized Water Containing SDS-Coated NiO Nanoparticles under the Influences of Constant and Alternative Varied Magnetic Fields, Powder Technol. 2020, 367, 143.
Akbari, A. et al. Effect of nickel oxide nanoparticles as a photocatalyst in dyes degradation and evaluation of effective parameters in their removal from aqueous environments, Inorg. Chem. Commun. 2020, 115, 107867.
Dey, S. and Mehta, N. S. Oxidation of carbon monoxide over various nickel oxide catalysts in different conditions, A review. Chem. Eng. J. Adv. 2020, 1, 100008.
Lang, Fengpei, et al. Improved Size-Tunable Synthesis of Monodisperse NiO Nanoparticles, Mater. Lett. 2016, 181, 328.
Han, D. Y., et al. Synthesis and Size Control of NiO Nanoparticles by Water-in-Oil Microemulsion, Powder Technol. 2004, 147, 113.
Du, Yu, et al. Preparation of NiO Nanoparticles in Microemulsion and Its Gas Sensing Performance, Mater. Lett. 2012, 68, 168.
Mateos, D., et al. Synthesis of High Purity Nickel Oxide by a Modified Sol-Gel Method, Ceram. Int. 2019, 45, 11403.
K. P. Raj, V. Thangaraj, and A. P. Uthirakumar, Synthetic Routes to Nickel Oxide Nanoparticles-an Overview, Chemistry 1990, 1980, 6.
N. N. M. Zorkipli, N. H. M. Kaus, and A. A. Mohamad, Synthesis of NiO Nanoparticles through Sol-Gel Method, Procedia Chem. 2016, 19, 626.
Jose-Yacaman, M., et al. Surface Diffusion and Coalescence of Mobile Metal Nanoparticles, J. Phys. Chem. B 2005, 109, 9703.
W. Yu and S. U. S. Choi, The Role of Interfacial Layers in the Enhanced Thermal Conductivity of Nanofluids: A Renovated Maxwell Model, J. Nanoparticle Res. 2003, 5, 167.
Jiang, Di, et al. Determining the Aggregation Kinetics of Nanoparticles by Single Nanoparticle Counting, ACS EST Water 2020, 1, 672.
J. A. Medford, A. C. Johnston-Peck, and J. B. Tracy, Nanostructural Transformations during the Reduction of Hollow and Porous Nickel Oxide Nanoparticles, Nanoscale 2013, 5, 155.
Siddiqui, Maqsood A., et al. Nickel Oxide Nanoparticles Induce Cytotoxicity, Oxidative Stress and Apoptosis in Cultured Human Cells That Is Abrogated by the Dietary Antioxidant Curcumin, Food Chem. Toxicol. 2012, 50, 641.
Sun, Jing, et al. UV Irradiation Induced Transformation of TiO 2 Nanoparticles in Water: Aggregation and Photoreactivity, Environ. Sci. Technol. 2014, 48, 11962.
S. Shrestha, B. Wang, and P. Dutta, Nanoparticle Processing: Understanding and Controlling Aggregation, Adv. Colloid Interface Sci. 2020, 279, 102162.
D. Spagnoli, J. F. Banfield, and S. C. Parker, Free Energy Change of Aggregation of Nanoparticles, J. Phys. Chem. C 2008, 112, 14731.
M. Alimohammadi and K. A. Fichthorn, Molecular Dynamics Simulation of the Aggregation of Titanium Dioxide Nanocrystals: Preferential Alignment, Nano Lett. 2009, 9, 4198.
Gupta, V., et al. Investigations on Acoustical and Thermal Properties of Ethylene Glycol Based Nickel Oxide Nanofluids: Concentration and Temperature, Russ. J. Phys. Chem. A 2020, 94, 2312.
Jiang, Weiting, et al. Modeling of Nanoparticles’ Aggregation and Sedimentation in Nanofluid, Curr. Appl. Phys. 2010, 10, 934.
N. R. Karthikeyan, J. Philip, and B. Raj, Effect of Clustering on the Thermal Conductivity of Nanofluids, Mater. Chem. Phys. 2008, 109, 50.
K. S. Hong, T.-K. Hong, and H.-S. Yang, Thermal Conductivity of Fe Nanofluids Depending on the Cluster Size of Nanoparticles, Appl. Phys. Lett. 2006, 88, 031901.
P. Grammatikopoulos, M. Sowwan, and J. Kioseoglou, Computational Modeling of Nanoparticle Coalescence, Adv. Theory Simul. 2019, 2, 1900013.
Lizunova, A. A., et al. Comparison of the Results of Measurements of the Sizes of Nanoparticles in Stable Colloidal Solutions by the Methods of Acoustic Spectroscopy, Dynamic Light Scattering, and Transmission Electron Microscopy, Meas. Tech. 2017, 59, 1151.
Zou, Chenyu, et al. Molecular Dynamics Simulations of the Effects of Vacancies on Nickel Self-Diffusion, Oxygen Diffusion and Oxidation Initiation in Nickel, Using the ReaxFF Reactive Force Field, Acta Mater. 2015, 83, 102.
Lu, Yulan, et al. A Combined DFT and Experimental Study on the Nucleation Mechanism of NiO Nanodots on Graphene, J. Mater. Chem. A 2018, 6, 13717.
P. Van de Sompel, U. Khalilov, and E. C. Neyts, Contrasting H-Etching to OH-Etching in Plasma-Assisted Nucleation of Carbon Nanotubes, J. Phys. Chem. C 2021, 125, 7849.
Yusupov, M., et al.Reactive Molecular Dynamics Simulations of Oxygen Species in a Liquid Water Layer of Interest for Plasma Medicine, J. Phys. Appl. Phys. 2014, 47, 025205.
F. Franks, Water A Comprehensive Treatise: Aqueous Solutions of Amphiphiles and Macromolecules 1975 (Springer US, Boston, MA).
S. W. Rick, S. J. Stuart, and B. J. Berne, Dynamical Fluctuating Charge Force Fields: Application to Liquid Water, J. Chem. Phys. 1994, 101, 6141.
Fogarty, Joseph C., et al. A Reactive Molecular Dynamics Simulation of the Silica-Water Interface, J. Chem. Phys. 2010, 132, 174704.
D. J. Evans and B. L. Holian, The Nose–Hoover Thermostat, J. Chem. Phys. 1985, 83, 4069.
U. Khalilov and E. C. Neyts, Mechanisms of Selective Nanocarbon Synthesis inside Carbon Nanotubes, Carbon 2021, 171, 72.
Huminic, Angel, et al. Thermal Conductivity, Viscosity and Surface Tension of Nanofluids Based on FeC Nanoparticles, Powder Technol. 2015, 284, 78.
G. Lu, Y.-Y. Duan, and X.-D. Wang, Surface Tension, Viscosity, and Rheology of Water-Based Nanofluids: A Microscopic Interpretation on the Molecular Level, J. Nanoparticle Res. 2014, 16, 2564.
Yu, C-J., et al. Molecular Layering in a Liquid on a Solid Substrate: An X-Ray Reflectivity Study, Phys. B Condens. Matter 2000, 283, 27.
Li, Ling, et al. An Investigation of Molecular Layering at the Liquid-Solid Interface in Nanofluids by Molecular Dynamics Simulation, Phys. Lett. A 2008, 372, 4541.
Zhang, Yang, et al. Stability of Commercial Metal Oxide Nanoparticles in Water, Water Res. 2008, 42, 2204.
Nithiyanantham, Udayashankar, et al. Effect of Silica Nanoparticle Size on the Stability and Thermophysical Properties of Molten Salts Based Nanofluids for Thermal Energy Storage Applications at Concentrated Solar Power Plants, J. Energy Storage 2022, 51, 104276.