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Atomic Solid State Energy Scale

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School of EECS, Oregon State University, 1148 Kelley Engineering Center, Corvallis, Oregon 97331-5501, United States
Department of Chemistry, Oregon State University, 153 Gilbert Hall, Corvallis, Oregon 97331-4003, United States
Cite this: J. Am. Chem. Soc. 2011, 133, 42, 16852–16860
Publication Date (Web):August 23, 2011
https://doi.org/10.1021/ja204670s
Copyright © 2011 American Chemical Society

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    Abstract

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    A plot of electron affinity (EA) and ionization potential (IP) versus energy band gap (EG) for 69 binary closed-shell inorganic semiconductors and insulators reveals that EG is centered about the hydrogen donor/acceptor ionization energy ε(+/−). Thus, ε(+/−), or equivalently the standard hydrogen electrode (SHE) energy, functions as an absolute energy reference, determining the tendency of an atom to be either a cation or anion in a compound. This empirical trend establishes the basis for defining a new solid state energy (SSE) scale. This SSE scale makes possible simple approaches for quantitatively assessing electronegativity, chemical hardness, and ionicity, while also providing new insight into the periodic trends of solids.

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