探测ç<sub> 84</sub> - 嵌入式硅衬底利用扫描探针显微镜和分子动力学
Summary
This paper reports the nanomaterial fabrication of a fullerene Si substrate inspected and verified by nanomeasurements and molecular dynamic simulation.
Abstract
本文的阵列设计Ç84 -嵌入式Si衬底捏造使用受控的自组装方法中的超高真空室的报告。的C- 84的特性-嵌入式Si表面，如原子分辨率地形，态本地电子密度，带隙能量，场发射性能，纳米机械刚度，以及表面磁性，使用各种表面分析技术下超进行了检查，在高真空（UHV）条件下，以及在一个大气压的系统。实验结果表明的C- 84的高度均匀性-嵌入式Si表面捏造使用受控的自组装纳米机制，表示场发射显示器（FED），光电器件制造，微机电系统的应用的一个重要发展切削工具，并在努力找到硬质合金半导体合适的替代者。分子动力学（MD）方法，半经验潜力b用于研究的ç84纳米压痕ê -嵌入式硅衬底。执行MD模拟详细描述这里提出。对MD模拟的力学分析，如压痕力，杨氏模量，表面硬度，原子应力，应变原子的综合研究的细节都包括在内。压痕模型的基本应力和冯·米塞斯应变分布可以计算出监测与原子级别时间评估变形机制。
Introduction
富勒烯分子和它们包含有纳米材料之间独特的，由于其优异的结构特点，电子传导性，机械强度，化学性能1-4复合材料。这些材料已被证明在一个范围内的领域，如电子，电脑，燃料电池技术，太阳能电池，以及场致发射技术5,6非常有益的。
在这些材料中，碳化硅（SiC）纳米粒子的复合材料已经受到了特别的关注由于它们的宽带隙，高导热性和稳定性，高电击穿能力，和化学惰性。这些好处是在光电器件特别明显，金属氧化物半导体场效应晶体管（MOSFET），发光二极管（LED），和高功率，高频率，和高温应用。然而，高密度的缺陷通常conventi的表面上观察到的Onal地区碳化硅可以对电子结构的不利影响，甚至导致器件失效7,8。尽管碳化硅的应用程序已自1960年以来研究的事实，这个特殊的未解决的问题仍然存在。
本研究的目的是一个C 84的制造-嵌入式Si衬底异质结和随后的分析，得到所得到的材料的电子，光电，机械，磁性，和场发射性能的全面理解。我们还讨论通过数值模拟来预测纳米材料的特性，通过分子动力学计算得到新的应用的问题。
Protocol
Representative Results
Discussion
在这项研究中，我们证明Ç84的Si衬底上的自组装单层的通过新颖的退火工艺的制造（ 图1）。这个方法也可以用于制备其它种类的纳米颗粒的嵌埋半导体基板。的C 84 -嵌入式Si衬底，其特征在用UHV-STM（ 图2），场发射光谱仪，光致发光光谱，MFM和SQUID（ 图3）的原子比例。
对应的C- 84纳米力学性能（ 即 ?…
Declarações
The authors have nothing to disclose.
Acknowledgements
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.
Materials
| Silicon wafer | Si(111) Type/Dopant: P/Boron Resistivity: 0.05-0.1 Ohm.cm | ||
| 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 |
Referências
- Kroto, H. W., Heath, J. R., O’Brien, S. C., Curl, R. F., Smalley, R. E. C60: Buckminsterfullerene. Nature. 318, 162-163 (1985).
- Zhu, Z. P., Gu, Y. D. Structure of carbon caps and formation of fullerenes. Carbon. 34, 173-178 (1996).
- Margadonna, S., et al. Crystal Structure of the Higher Fullerene C84. Chem. Mater. 10, 1742-1744 (1998).
- Diederich, F., et al. The Higher Fullerenes: Isolation and Characterization of C76, C84, C90, C94, and C70O, an Oxide of D5h-C70. Science. 252, 548-551 (1991).
- Lv, Z., Deng, Z., Xu, D., Li, X., Jia, Y. Efficient organic light-emitting diodes with C60 buffer layer. Displays. 30, 23-26 (2009).
- Tokunaga, K. On the difference in electronic properties between fullerene C60 and C60X2. Chem. Phys. Lett. 476, 253-257 (2009).
- Basa, D. K., Smith, F. W. Annealing and crystallization processes in a hydrogenated amorphous Si—C alloy film. Thin Solid Films. 192, 121-133 (1990).
- Neudeck, P. G., Powell, J. A. Performance limiting micropipe defects in silicon carbide wafers. IEEE Electron Device Lett. 15, 63-65 (1994).
- Huang, C. P., Su, C. C., Ho, M. S. Intramolecular Structures of C60 and C84 Molecules on Si(111)-7×7 Surfaces by Scanning Tunneling Microscopy. Appl. Surf. Sci. 254, 7712-7717 (2008).
- Huang, C. P., Su, C. C., Su, W. S., Hsu, C. F., Ho, M. S. Nano-measurements of electronic and mechanical properties of fullerene embedded Si(111) surfaces. Appl. Phys. Lett. 97, 061908 (2010).
- Huang, C. P., Hsu, C. F., Ho, M. S. Investigation of Fullerene Embedded Silicon Surfaces with Scanning Probe Microscopy. J. Nanosci. Nanotechnol. 10, 7145-7148 (2010).
- Huang, C. P., Su, W. S., Su, C. C., Ho, M. S. Characteristics of Si(111) surface with embedded C84 molecules. RSC Adv. 3 (111), 9234-9239 (2013).
- Ho, M. S., Huang, C. P. Method of forming self-assembled and uniform fullerene array on surface of substrate. US Patent. , (2015).
- Plimpton, S. J. Fast Parallel Algorithms for Short-Range Molecular Dynamics. J. Comp. Phys. 117, 1-19 (1995).
- Su, W. S., et al. Using a functional C84 monolayer to improve the mechanical properties and alter substrate deformation. RSC Adv. 5, 47498-47505 (2015).
- Stukowski, A. Visualization and analysis of atomistic simulation data with OVITO- the Open Visualization Tool. Modelling Simul. Mater. Sci. Eng. 18, 015012 (2010).
- Tersoff, J. New empirical model for the structural properties of silicon. Phys. Rev. Lett. 56, 632 (1986).
- Stuart, S. J., Tutein, A. B., Harrison, J. A. A reactive potential for hydrocarbons with intermolecular interactions. Journal of Chemical Physics. 112, 6472 (2000).
- Rapaport, D. C. . The Art of Molecular Dynamics Simulations. , (1997).
- Chandra, N., Namilae, S., Shet, C. Local elastic properties of carbon nanotubes in the presence of Stone-Wales defects. Phys. Rev. B. 69, 094101 (2004).
- Honeycutt, J. D., Andersen, H. C. Molecular Dynamics Study of Melting and Freezing of Small Lennard-Jones Clusters. J. Phys. Chem. 91, 4950 (1987).
- Schulz, M. J., Kelkar, A. D., Sundaresan, M. J. . Nanoengineering of Structural, Functional and Smart Materials. , 736 (2005).
- Ju, S. P., Wang, C. T., Chien, C. H., Huang, J. C., Jian, S. R. The Nanoindentation Responses of Nickel Surfaces with Different Crystal Orientations. Molecular Simulation. 33, 905-917 (2007).
- Mishin, Y., Suzuki, A., Uberuaga, B. P., Voter, A. F. Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics. Phys. Rev. B. 75, (2007).
