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Hydrogen Rules

You would think that an element as ubiquitous as hydrogen would have been studied until there was no more to learn. Not so, say Drs. Chris G. Van de Walle of the Palo Alto Research Center (PARC) and Jörg Neugebauer of the Fritz Haber Institute in Berlin in a report published in the June 5 issue of the journal Nature (www.nature.com).

Since hydrogen is so plentiful on Earth (as a component of water, hydrocarbons, etc.), it can easily be incorporated in materials – even in ultra-clean laboratory settings. Understanding the nature and behavior of hydrogen is crucial in the development of better materials for fuel cells, biochemical sensors, and semiconductor devices. In today’s silicon chips hydrogen plays an essential role because it heals imperfections at the interface between the silicon and the silicon dioxide in the transistors.

Using sophisticated computer models, which reduce the need for expensive testing, the researchers found that the behavior of hydrogen varies greatly depending on the material in which it is incorporated. In some materials, adding hydrogen increases conductivity while in others it reduces conductivity. Understanding why this happens is crucial to predicting how hydrogen will act in new materials. As described in Nature , hydrogen’s behavior is governed by a Universal Alignment rule, which says that a single energy level describes the electrical behavior of hydrogen in every material.

Remarkably, the rule applies not only to solids but also to liquids. Hydrogen ions play an important role in chemical and biological reactions, and therefore the new rule will be useful to scientists in those fields, as well. This new knowledge will allow scientists to build novel materials faster and can assist researchers working in such diverse fields as UV lasers, wireless communication, and hydrogen-based energy systems.

Chris G. Van de Walle, a Principal Scientist at the Palo Alto Research Center (PARC), won the David Adler Award in 2002 from the American Physical Society. He received his Ph.D. in 1986 from Stanford University. Before joining PARC in 1991, Dr. Van de Walle was a postdoctoral scientist at the IBM T. J. Watson Research Center in Yorktown Heights, New York (1986-1988), a Senior Member of Research Staff at Philips Laboratories in Briarcliff Manor, New York (1988-1991), and an Adjunct Professor of Materials Science at Columbia University (1991). Dr. Van de Walle develops and employs first-principles techniques to model the structure and behavior of materials. He has performed extensive studies of semiconductor interfaces (including the development of a widely used model for band offsets) and of defects and impurities in semiconductors, with particular emphasis on doping problems. Recently, he has been focusing his attention on novel materials for electronics and optoelectronics, and on the behavior of hydrogen in a wide range of materials. Dr. Van de Walle has published over 180 research papers, has nine patents, and has given 68 invited talks at international conferences. He is a Fellow of the American Physical Society (APS), a Senior Member of the IEEE , and the recipient of a Humboldt Award for Senior US Scientist . He has chaired three conferences, and will be Program Chair for the 27 th International Conference on the Physics of Semiconductors, to be held in Flagstaff, Arizona, in 2004.

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