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

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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.