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Chemical Dynamics in Condensed PhasesRelaxation, Transfer and Reactions in Condensed Molecular Systems$
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Abraham Nitzan

Print publication date: 2006

Print ISBN-13: 9780198529798

Published to Oxford Scholarship Online: November 2020

DOI: 10.1093/oso/9780198529798.001.0001

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Introduction To Solids And Their Interfaces

Introduction To Solids And Their Interfaces

(p.131) 4 Introduction To Solids And Their Interfaces
Chemical Dynamics in Condensed Phases

Abraham Nitzan

Oxford University Press

The study of dynamics of molecular processes in condensed phases necessarily involves properties of the condensed environment that surrounds the system under consideration. This chapter provides some essential background on the properties of solids while the next chapter does the same for liquids. No attempt is made to provide a comprehensive discussion of these subjects. Rather, this chapter only aims to provide enough background as needed in later chapters in order to take into consideration two essential attributes of the solid environment: Its interaction with the molecular system of interest and the relevant timescales associated with this interaction. This would entail the need to have some familiarity with the relevant degrees of freedom, the nature of their interaction with a guest molecule, the corresponding densities of states or modes, and the associated characteristic timescales. Focusing on the solid crystal environment we thus need to have some understanding of its electronic and nuclear dynamics. The geometry of a crystal is defined with respect to a given lattice by picturing the crystal as made of periodically repeating unit cells. The atomic structure within the cell is a property of the particular structure (e.g. each cell can contain one or more molecules, or several atoms arranged within the cell volume in some given way), however, the cells themselves are assigned to lattice points that determine the periodicity. This periodicity is characterized by three lattice vectors, ai, i = 1, 2, 3, that determine the primitive lattice cell—a parallelepiped defined by these three vectors.

Keywords:   Bloch theory, Debye model, Einstein model, Hall coefficient, adiabatic ionization potential, conduction band, dispersion relations, effective mass

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