Molecular Dynamics Simulations of the Formation Processes and Luminescence Properties of Zn-ZnO Core-Shell Nanostructures
| Authors | S.S. Savka1, Yu.I. Venhryn1, A.S. Serednytski1, D.I. Popovych1, 2 |
| Affiliations |
1Pidstryhach Institute for Applied Problems of Mechanics and Mathematics NASU, 3b, Naukova Str., 79060 Lviv, Ukraine 2National University “Lvivska Polytechnika”, 12, Bandera Str., 79013 Lviv, Ukraine |
| Е-mail | savka.stepan.92@gmail.com |
| Issue | Volume 10, Year 2018, Number 3 |
| Dates | Received 25 February 2018; published online 25 June 2018 |
| Citation | S.S. Savka, Yu.I. Venhryn, A.S. Serednytski, D.I. Popovych, J. Nano- Electron. Phys. 10 No 3, 03008 (2018) |
| DOI | https://doi.org/10.21272/jnep.10(3).03008 |
| PACS Number(s) | 02.70.Ns, 81.07.Wx, 78.55.Et |
| Keywords | Nanopowders, Core-Shell structure, Metal oxides, Photoluminescence (17) , Molecular dynamics. |
| Annotation |
We carried out molecular dynamics (MD) simulations of the oxidation of zinc nanoclusters to investigate the process of the formation of Zn-ZnO “core-shell” nanoclusters. In the present work it is being shown that the structure, shape and oxide layer thickness of the obtained particles directly depend on the initial oxygen density and initial temperature of the system. An increase of initial oxygen density the oxide layer thickness of obtained nanoparticles increase to a certain limit. During the analysis it was found, that created clusters mainly preserved their structure of core, but structure of shell commonly was amorphous. Also, we had studied the luminescence properties of experimentally created nanostructures. It was observed increase in quantum efficiency of luminescence. |
|
List of References |
Other articles from this number
1) High Band Gap Nanocrystalline Tungsten Carbide (nc-WC) Thin Films Grown by Hot Wire Chemical Vapor Deposition (HW-CVD) Method [03001-1-03001-6]2) Effect of RF-magnetron Sputtering Parameters on the Structure of Hafnium Diboride Films [03002-1-03002-5]
3) Structure, Strength and Conductive Properties of Vacuum Cu-Ta Condensates CuTa [03003-1-03003-4]
4) Numerical Simulation of SnS-Based Solar Cells [03004-1-03004-6]
5) Single Crystal, High Band Gap CdS Thin Films Grown by RF Magnetron Sputtering in Argon Atmosphere for Solar Cell Applications [03005-1-03005-6]
6) Optical Analytical Studies of Electrostatic-Sprayed Eu-doped Cadmium Selenide Nanofilms at Different Temperatures [03006-1-03006-5]
7) Physical and Technological Foundations of the «Chloride» Treatment of Cadmium Telluride Layers for Thin-film Photoelectric Converters [03007-1-03007-7]
8) Structural Engineering of the Growth of Crystallites with a Predominant Orientation in Bilayer Multi-Period Vacuum Arc Nitride Coatings [03009-1-03009-5]
9) Synthesis of Copper Nanoparticles by Cathode Sputtering in Radio-frequency Plasma [03010-1-03010-4]
10) Nanosize Structures and Energy Parameters of Doped Silicon Clusters Passivated by Hydrogen [03011-1-03011-6]
11) Modelling the Initial Stages of Condensation of As-S Atomic Clusters [03012-1-03012-9]
12) Mössbauer Study of Nickel-Substituted Cobalt Ferrites [03013-1-03013-5]
13) Electronic Conduction in Annealed Sulfur-Doped a-Si:H Films [03014-1-03014-4]
14) Phase and Chemical Composition of Diffusion Titanium-Aluminum-Chromium Coatings Based on ХН55ВМТКЮ Alloy [03015-1-03015-4]
15) The Effects of the Giant and Anisotropic Magnetoresistance: Demonstration and Learning in the Physics Course of High Schools [03016-1-03016-8]
16) Synthesis and Growth of Au Nanostructures on MoS2 Interface [03017-1-03017-6]
17) Computer Simulation of Electrical Characteristics of a Graphene Cluster with Stone-Wales Defects [03018-1-03018-7]
18) Long-range Interaction between pb-centers andNO2 Molecules Adsorbed on the Silicon Surface [03019-1-03019-7]
19) Thermodynamical Investigation of Liquid Alkali Metals with Gibbs–Bogoliubov Method [03020-1-03020-4]
20) Transmitting Coefficient and Quasi-Stationary States of Electron in Symmetric Double-Barrier Nanostructure with Position-Dependent Potential and Effective Mass [03021-1-03021-5]
21) Effect of the Doping Level on the Gas Sensitivity of Si p-n Junctions [03022-1-03022-6]
22) The Role of the Charge State of the Molecule and the External Electric Field in the Functioning of Molecular Switches Based on Spiropyran Molecule [03023-1-03023-5]
23) Structural-Phase State and Electrical Conductivity of Film Structures Based on FCC Phase of Fe-Co and Cu Alloy [03024-1-03034-6]
24) Formation of Graded-Gap Active Region of the Photoelectric Converter Based on Algaas Solid Solutions by Trimethylaluminium Flow Modulation in the MOC Vapour Deposition Method [03025-1-03025-5]
25) Heteroepitaxy Growth of SiC on the Substrates of Porous Si Method of Substitution of Atoms [03026-1-03026-6]
26) Nanostructured ZnO Arrays Fabricated via Pulsed Electrodeposition and Coated with Ag Nanoparticles for Ultraviolet Photosensors [03027-1-03027-8]
27) Investigation of the Effect of the Composition of Residual Gases on the Hardness, Adhesion Properties and the Composition of SiC-AlN Coatings Deposited by the Magnetron Sputtering [03028-1-03028-5]
28) Ultrafine β-FeOOH: the Influence of Synthesis Conditions on the Morphological, Magnetic and Electrochemical Properties [03029-1-03029-6]
29) Multistage Finish Drying of the N4HNO3 Porous Granules as a Factor for Nanoporous Structure Quality Improvement [03030-1-03030-5]
30) Influence of Ferroelastic Phase Transitions on the Spatial Distribution of Point Defects in Real Solids [03031-1-03031-5]
31) Effect of Heat Treatments on the Mechanical Properties of a Form Tool [03032-1-03032-3]
32) Calculation of the Quasiparticle Energies of Electrons and the Exciton Spectrum in the Region of the Fundamental Absorption Edge in a Perovskite Crystal KMgF3 [03033-1-03033-3]
