Name: Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics (Video) | JoVE Journal
Uploaded: 2016-09-28T12:30:00.000+00:00
Duration: 13 min 58 s
Description: Explore molecular dynamics simulations and scanning probe microscopy techniques for analyzing C84-embedded silicon substrates. This computational approach reveals electronic, mechanical, and magnetic properties of nanomaterials.

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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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The authors have nothing to disclose.

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).
<p class="jove_c...

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. These benefits are particularly obvious in optoelectronic devices, metal-oxide-semiconductor field-effect transistors (MOSFET), light-emitting diodes (LEDs), and high-power, high-frequency, and high-temperature applications. However, high density defects commonly observed on the surface of conventional silicon carbide can have detrimental effects on the electronic structure, even leading to device failure7,8. Despite the fact that the application of SiC has been studied since 1960, this particular unresolved problem remains.
The aim of this study was the fabrication of a C84-embedded Si substrate heterojunction and subsequent analysis to obtain a comprehensive understanding of the electronic, optoelectronic, mechanical, magnetic, and field emission properties of the resulting materials. We also addressed the issue of using numerical simulation to predict the characteristics of nanomaterials, through the novel application of molecular dynamics calculations.

<table><tbody><tr><td>Silicon wafer</td><td></td><td></td><td>Si(111). Type/Dopant: P/Boron; Resistivity: 0.05-0.1 Ohm&amp;#183;cm</td></tr><tr><td>Carbon, C&lt;sub&gt;84&lt;/sub&gt;</td><td>Legend Star</td><td></td><td>C&lt;sub&gt;84&lt;/sub&gt; powder, 98%</td></tr><tr><td>Hydrochloric acid</td><td>Sigma-Aldrich</td><td>84422</td><td>RCA, 37%</td></tr><tr><td>Ammonium</td><td>Choneye Pure Chemical</td><td></td><td>RCA, 25%</td></tr><tr><td>Hydrogen peroxide</td><td>Choneye Pure Chemical</td><td></td><td>RCA, 35%</td></tr><tr><td>Nitrogen</td><td>Ni Ni Air</td><td></td><td>high-pressure bottle, 95%</td></tr><tr><td>Tungsten</td><td>Nilaco</td><td>461327</td><td>wire, diameter 0.3 mm, tip</td></tr><tr><td>Sodium hydroxide</td><td>UCW</td><td>85765</td><td>etching Tungsten wire for tip</td></tr><tr><td>Acetone</td><td>Marcon Fine Chemicals</td><td>99920</td><td>suitable for liquid chromatography and UV-spectrophotometry</td></tr><tr><td>Methanol</td><td>Marcon Fine Chemicals</td><td>64837</td><td>suitable for liquid chromatography and UV-spectrophotometry</td></tr><tr><td>UHV-SPM</td><td>JEOL Ltd</td><td>JSPM-4500A</td><td>Ultrahigh Vacuum Scanning Tunneling Microscope and Ultrahigh Vacuum Atomic Force Microscope</td></tr><tr><td>Power supply</td><td>Keithley</td><td>237</td><td>High-Voltage Source-Measure Unit</td></tr><tr><td>SQUID</td><td>Quantum desigh</td><td>MPMS-7</td><td>Magnetic field strength: &amp;plusmn;7.0 Tesla, Temperature range: 2&amp;#8211;400 K, Magnetic-dipole range: 5&amp;nbsp;&amp;times;&amp;nbsp;10&lt;sup&gt;-7&lt;/sup&gt; &amp;#8211; 300 emu</td></tr><tr><td>ALPS</td><td>National Center for High-performance Computing, Taiwan</td><td></td><td>Advanced Large-scale Parallel Supercluster, 177Tflops; 25,600 CPU cores; 73,728 GB RAM; 1,074 TB storage</td></tr></tbody></table>

probing c84-embedded si substrate using scanning probe microscopy and molecular dynamics

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

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&#39;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.

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...

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 ...

The aim of this study is the fabrication of a C84-embedded silicon substrate heterojunction and subsequent analysis to obtain a comprehensive understanding of the electronic, optoelectronic, mechanical, magnetic, and field emission properties of the resulting materials. Nanomaterials I have in forcator are a ranging trend of a material revolution. With the help of a skinny probe microscope we will be able to identify the characteristics of nanostructures on the surfaces with a sufficient and a resolution.Using molecular dynamic simulation we can monitor the type, dependent, atomic, and mechanical behavior of the indentation process. All the simulating were preformed with parallel computing in a supercluster ALPS of NCHC and all the experiment work was done in the nanoscience lab of NCHU. The person who demonstrated the procedures will be Che-Fu, Pei-Fang, Ya-Chi, and Wei-Pin from my group.First, subject a silicon 111 substrate to cleaning involving the application of a solvent followed by heating in an ultrahigh vacuum system for the removal of the oxide layer and impurities from the surface of the substrate. For C84 deposition on the silicon surface preheat a Castle evaporator with an external power supply through heating filaments to 500 degrees celsius to promote the out-gassing of impurities. Next, load C84 nanoparticles into a Castle container.Then, resistively heat the Castle to 650 degrees celsius to vaporize the C84 nanoparticles. Now, evaporate the C84 nanoparticles in straight lines until they strike the silicon substrate through a controlled valve at a pressure below five times 10 to the minus eight pascal. Following this, pre in the ALBA silicon 111 substarate in an ultrahigh vacuum system at 900 degrees celsius to obtain the one by one structures.Reduce the temperature to 650 degrees celsius for 30 minutes for the deposition of the C84 nanoparticles on the surface of the substrate. In the ALBA silicon substrate at approximately 750 degrees celsius for 12 hours during which time the powdered C84 nanoparticles self assemble into a highly uniform fullerene ray on the surface of the silicon 111 substrate. At this point, place the C84-embedded silicon substrate on a scanning probe microscopy, or SPM, sample holder.Transfer the sample from the exchange chamber to a sample preparation chamber. Introduce the holder into a UHV-STM scanning head system and transfer the sample to an observation chamber. Then, sweep the applied sample bias from minus five to five volts.Next, click on the IV measurement item to measure the tunneling current eye at atomic resolution. Choose at least 20 particular locations on the C84-embedded silicon substrate for the measurements. To measure the band gap energy obtain IV curves as previously described from the surfaces indicated in the text protocol.Following this, place the C84-embedded silicon substrate on a field emission, or FE, sample holder. Insert the holder into the FE analysis chamber. Then, evacuate the chamber to a pressure of approximately five times 10 to the minus 5 pascal for the FE measurement.Increase the applied voltage manually on the substrate from 100 to 1, 100 volts. Measure the corresponding field emission current as a function of applied voltage using a high voltage source measurement unit with a current amplifier. Now, place the testing substrate in the center of the sample compartment of an optical emission measurement system.Then, focus a helium cadmium laser source with 325 nanometer emissions. After setting up the spectrometer acquire the photoluminescence spectrum by collecting and analyzing the emitting photons. Magnetize samples of the C84-embedded silicon substrate prior to magnetic force spectroscopy, or MFM measurements, by applying a magnet with a field strength of approximately 2 kilo oersted.After placing the magnetized sample on the MFM sample stage observe the microstructure of the fullerene in the magnetic domain embedded within the silicon substrate using MFM in lift mode with the application of magnetization perpendicular to the surface of the sample. Following this, magnetize samples of the C84-embedded silicon substrate and C84 clusters on the C84-embedded silicon substrate prior to SQUID experiments by applying a magnet with a field strength of approximately 2 kilo oersted. Place the magnetized sample in the SQUID.Then, apply a sweeping magnetic field in a range of approximately 2 kilo oersted. Obtain the magnetization loops plotted versus the external magnetic field in SQUID measurements at room temperature. To measure the stiffness of the C84-embedded silicon substrate, first place one of the substrates on an AFM, or atomic microscope, sample stage.Next, obtain force measurements under atmospheric conditions from the appropriate silicon substrates. Obtain force measurements as previously described using the AFM and a UHV system from the appropriate silicon substrates. To prepare the silicon substrate, turn on the OSSD software.Click of the search button to show the search criteria panel. Choose silicon substrate, elemental type, reconstructed structure, semi-conductor elec, diamond lattice, 111 face, and seven by seven pattern. Then click on the search and accept buttons to display the structure list panel.Click the desired structure silicon 111 seven by seven surface. Now, click the file button and save the coordination file as a xyz file. Next, turn on the Ovito software, load the xyz file into the software, and use the slice command to capture a super cell of the silicon 111 seven by seven surface structure with the appropriate size, 26.878 by 46.554 angstrom squared in the X and Y directions.Use the simulation cell command to adjust the cell size in the X and Y directions and shift the cell to the origin point of zero. Use affine transformation and click transform matrix to shift the model 5.714 angstroms in the normal direction. Use the slice command to cut the bottom most atom layer in the normal direction.Export the data file with the format of LAMMPS. With LAMMPS data file format, the cell boundary will be defined. Reload the data with the format of LAMMPS into the Ovito.Use the wrap at periodic boundaries command to rearrange the structure inside the cell. Use affine transformation and click transform matrix to shift the model 84.6 angstroms in the normal direction. Use the simulation cell command to adjust the cell size 150 angstroms in the Z direction.Export the data file with the format of LAMMPS. Reload the data into the Ovito. Use show periodic images to duplicate a five by three super cell in the X and Y directions to enlarge the size of the substrate.Export the data file with the format of LAMMPS. After preparing a coordination file of the silicon 111 super cell with the appropriate size load the data into Ovito. Use show periodic images to duplicate a five by three by eight super cell in the X, Y, and Z directions to enlarge the size of the substrate.Use affine transformation and select transform matrix to shift the model to the origin point in the Z direction 37.6184 angstroms. Export the data file with the format of LAMMPS. Combine the data files of the silicon 111 seven by seven surface and the silicon 111 substrate models using a text editor.The silicon 111 seven by seven substrate model is ready. To prepare the C84 fullerene mono-layer, download the coordination file of the C84 fullerene from the web. Use a homemade program to duplicate seven by seven C84 fullerenes arranged in a honeycomb structure.Next, use a homemade program to lay the C84 mono-layer on the silicon 111 seven by seven surface with the distance of three angstroms. Use the load data command to load the simulation model in LAMMPS script. Then, set up the region and create atom commands to create a five nanometer spherical probe.Finally, prepare an input script of LAMMPS for indentation simulation and calculate the detail mechanical properties. A mono-layer of C84 molecules on a disordered silicon 111 surface was fabricated using a controlled self assembly process and a series of topographic images measured by UHV-STM with various degrees of coverage are shown here. The electronic and optical properties of the C84-embedded silicon substrate were investigated using STM and photoluminescence analysis techniques.The excellent material properties of the samples demonstrate how nanotechnology can be used for the control of matter at the atomic and nano scales. The MFM and SQUID results show the surface magnetism of C84-embedded substrate. The UHV-AFM results demonstrate the potential of the C84-embedded silicon substrate as an alternative to semiconductor carbide in nanoelectronic devices for high temperature, high power, high frequency applications.As well as in magnetic and microelectromechanical systems. The molecular dynamic simulation process on the nanoindentation of C84-embedded substrate is shown here. The mechanical properties of the fullerene embedded substrate are shown here.The corresponding snapshots as a function of indentation depth can be seen here. The results of indentation force as a function of indentation depth are used to calculate the hardness, reduced modulus, and bloating stiffness of the C84 mono-layer. It's now a popular perception that a nanomaterial will bring up a applicable development in science and technologies because of layer unit of chemical, physical, and the mechanical properties.With only one mono-layer of fullerene the properties of the silicon substrate can be changed dramatically. In our study, fullerene embedded silicon substrate has a waving edge, good fuel emission properties, and a high strength, and also is the fullerene magnetic. I believe our proposed substrates will have a better performance in a wider application in nanotechnology.After watching this video you should have a good understanding of how to perform experiments and simulations for surface magnetism. The demonstration of these comprehensive techniques will pave the way for researchers to explore the fundamental properties of materials.

probing-c84-embedded-si-substrate-using-scanning-probe-microscopy

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A combination of solution and surface assisted synthesis opens new directions in the atomically precise synthesis of nanostructures. Scanning tunneling microscopy (STM) supplemented by non-contact atomic force microscopy (nc-AFM) enables detailed characterization of newly designed and generated carbon-based nano-objects.

Microscopic Visualization of Porous Nanographenes Synthesized through a Combination of Solution and On-Surface Chemistry

Large-scale sample inspection with nanoscale resolution has a wide range of applications, especially for nanofabricated semiconductor wafers. Atomic force microscopes can be a great tool for this purpose, but are limited by their imaging speed. This work utilizes parallel active cantilever arrays in AFMs to enable high-throughput and large-scale inspections.

Active Probe Atomic Force Microscopy with Quattro-Parallel Cantilever Arrays for High-Throughput Large-Scale Sample Inspection

Explore molecular dynamics simulations and scanning probe microscopy techniques for analyzing C84-embedded silicon substrates. This computational approach reveals electronic, mechanical, and magnetic properties of nanomaterials.

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

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