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Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published: September 28th, 2016



1Department of Physics and Institute of Nanoscience, National Chung Hsing University, 2Metallurgy Section, Materials & Electro-Optics Research Division, National Chung-Shan Institute of Science and Technology, 3National Center for High-Performance Computing

This paper reports the nanomaterial fabrication of a fullerene Si substrate inspected and verified by nanomeasurements and molecular dynamic simulation.

This paper reports an array-designed C84-embedded Si substrate fabricated using a controlled self-assembly method in an ultra-high vacuum chamber. The characteristics of the C84-embedded Si surface, such as atomic resolution topography, local electronic density of states, band gap energy, field emission properties, nanomechanical stiffness, and surface magnetism, were examined using a variety of surface analysis techniques under ultra, high vacuum (UHV) conditions as well as in an atmospheric system. Experimental results demonstrate the high uniformity of the C84-embedded Si surface fabricated using a controlled self-assembly nanotechnology mechanism, represents an important development in the application of field emission display (FED), optoelectronic device fabrication, MEMS cutting tools, and in efforts to find a suitable replacement for carbide semiconductors. Molecular dynamics (MD) method with semi-empirical potential can be used to study the nanoindentation of C84-embedded Si substrate. A detailed description for performing MD simulation is presented here. Details for a comprehensive study on mechanical analysis of MD simulation such as indentation force, Young's modulus, surface stiffness, atomic stress, and atomic strain are included. The atomic stress and von-Mises strain distributions of the indentation model can be calculated to monitor deformation mechanism with time evaluation in atomistic level.

Fullerene molecules and the composite materials they comprise are distinctive among nanomaterials due to their excellent structural characteristics, electronic conductivity, mechanical strength, and chemical properties1-4. These materials have proven highly beneficial in a range of fields, such as electronics, computers, fuel cell technology, solar cells, and field emission technology5,6.

Among these materials, silicon carbide (SiC) nanoparticle composites have received particular attention thanks to their wide band gap, high thermal conductivity and stability, high electrical breakdown ability, and chemical inertness.....

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NOTE: The paper outlines the methods used in the formation of a self-assembled fullerene array on the surface of a semiconducting substrate. Specifically, we present a novel method for the preparation of a fullerene-embedded silicon substrate for use as a field emitter or substrate in microelectromechanical systems (MEMS), and optoelectronic devices in high-temperature, high-power, applications as well as in high-frequency devices9-13.

1. Fabrication of Hexagonal-closed-packaged (HCP).......

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A monolayer of C84 molecules on a disordered Si(111) surface was fabricated using a controlled self-assembly process in a UHV chamber. Figure 1 shows a series of topographic images measured by UHV-STM with various degrees of coverage: (a) 0.01 ML, (b) 0.2 ML, (c) 0.7 ML, and (d) 0.9 ML. The electronic and optical properties of the C84 embedded Si substrate were also investigated using a variety of surface analysis techniques, such as STM and PL (Figure 2). The excel.......

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In this study, we demonstrate the fabrication of a self-assembled monolayer of C84 on a Si substrate through a novel annealing process (Figure 1). This process can also be used to prepare other kinds of nanoparticle-embedded semiconductor substrates. The C84-embedded Si substrate was characterized at the atomic scale using UHV-STM (Figure 2), field emission spectrometer, photo-luminescence spectroscopy, MFM and SQUID (Figure 3).

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The authors would like to thank the Ministry of Science and Technology of Taiwan, for their financial support of this research under Contract Nos. MOST-102-2923-E-492- 001-MY3 (W. J. Lee) and NSC-102- 2112-M-005-003-MY3 (M. S. Ho). Support from the High-performance Computing of Taiwan in providing huge computing resources to facilitate this research is also gratefully acknowledged.


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Name Company Catalog Number Comments
Silicon wafer Si(111) Type/Dopant: P/Boron  Resistivity: 0.05-0.1
Carbon,C84 Legend Star C84 powder, 98%
Hydrochloric acid Sigma-Aldrich 84422 RCA,37%
Ammonium Choneye Pure Chemical RCA,25%
Hydrogen peroxide Choneye Pure Chemical RCA,35%
Nitrogen  Ni Ni Air high-pressure bottle,95%
Tungsten Nilaco 461327 wire, diameter 0.3 mm, tip
Sodium hydroxide UCW 85765 etching Tungsten wire for tip,
Acetone Marcon Fine Chemicals 99920 suitable for liquid chromatography and UV-spectrophotometry
Methanol Marcon Fine Chemicals 64837 suitable for liquid chromatography and UV-spectrophotometry
UHV-SPM JEOL Ltd JSPM-4500A Ultrahigh Vacuum Scanning Tunneling Microscope and Ultrahigh Vacuum Atomic Force Microscope
Power supply  Keithley  237 High-Voltage Source-Measure Unit
SQUID Quantum desigh MPMS-7 Magnetic field strength: ± 7.0 Tesla, Temperature range: 2 ~ 400 K, Magnetic-dipole range:5 × 10^-7 ~ 300 emu
ALPS National Center for High-performance Computing, Taiwan Advanced Large-scale Parallel Supercluster, 177Tflops; 25,600 CPU cores; 73,728 GB RAM; 1074 TB storage

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