Role of structure in chemical functionalization of oxide-free silicon surfaces and nanoparticles

化学结构，动力学和机制-化学系的B计划支持德克萨斯大学达拉斯分校的Yves J. Chabal教授对制造和修改模型氢封端的Si表面所涉及的化学进行基本理解和控制，以研究其光电性能和化学键合之间的相关性。虽然氢封端的硅表面由于其简单的合成、上级化学稳定性和优异的电性能而在微电子学中发挥了关键作用，但是它们的转化用途关键地取决于在不氧化Si衬底的情况下化学改性它们的能力，因为界面氧化物通常具有差的电性能。通过控制改性H/Si表面的化学和物理结构的质量，然后可以解决基本问题，如界面缺陷态的性质和Si纳米颗粒的光致发光的起源。这项工作将为硅基化学和生物传感器、燃料和光伏电池、催化、选择性原子层沉积、超浅掺杂和单电子器件等应用提供基础知识。因此，这种跨学科的方法对化学，生物医学，能源和半导体加工行业感兴趣，并为学生提供了解不同领域并与工业项目和国际合作者联系的机会。该计划还将“表面化学功能化”纳入两门课程和材料研究学会教程的几个模块，本科生计划的研究经验，以及研究生研讨会。

The Chemical Structure, Dynamics, and Mechanisms - B Program of the Division of Chemistry supports Professor Yves J. Chabal from the University of Texas at Dallas to develop a fundamental understanding and control of the chemistry involved in making and modifying model hydrogen-terminated Si surfaces to investigate the correlation between their optoelectronic properties and chemical bonding. While hydrogen-terminated silicon surfaces have played a critical role in microelectronics because of their simple synthesis, superior chemical stability and excellent electrical properties, their transformative use critically depends on the ability to chemically modify them without oxidizing the Si substrate, since interfacial oxides typically have poor electrical properties. By controlling the quality of the chemical and physical structure of modified H/Si surfaces, it is then possible to address fundamental questions such as the nature of interfacial defect states and the origin of photoluminescence of Si nanoparticles. This work will provide the fundamental knowledge for applications such as silicon-based chemical- and bio-sensors, fuel and photovoltaic cells, catalysis, selective atomic layer deposition, ultra-shallow doping, and single electron devices. Thus, this interdisciplinary approach is of interest to the chemical, biomedical, energy and semiconductor processing industries and provides students with the opportunity to learn about different fields and to connect to industrial projects and international collaborators. The program will also incorporate "Surface Chemical Functionalization" into two courses and several modules for Materials Research Society tutorials, a Research Experience for Undergraduates program, as well as graduate student seminars.