Interaction of theory and experiment: examples from single molecule studies of nanoparticles.

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
Rudolph A Marcus

Abstract

This article is in part the author's perspective on the revolution that has occurred in theoretical chemistry during the past half-century. In this period much of theoretical chemistry has moved from its initial emphasis on analytic treatments, resulting in equations for physical chemical and chemical phenomena, to the detailed computation of many different systems and processes. In the best sense the old and the new are complementary and their coexistence can benefit both. Experiment too has seen major developments. One of the newer types of experiment is that of single molecule studies. They range from those on small inorganic and organic nanoparticles to large biological species. We illustrate some of the issues that arise, using the topic of 'quantum dots' (QDs), and choosing a particular inorganic nanoparticle, CdSe, the most studied of these systems. Its study reflects the problems that arise in experiment and in theories in this field. The complementary nature of the conventional ensemble experiments and the new single molecule experiments is described and is illustrated by trajectories for the two types of experiments. The research in the QD field is both experimentally and theoretically a currently ongoing process, for...Continue Reading

References

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Jul 20, 2004·Nature Biotechnology·Xiaohu GaoShuming Nie
Aug 20, 2005·The Journal of Chemical Physics·Jau Tang, R A Marcus
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Aug 28, 2007·Proceedings of the National Academy of Sciences of the United States of America·Matthew PeltonRudolph A Marcus
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Methods Mentioned

BETA
scanning tunnelling microscopy

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