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Atomic Solid State Energy Scale

TitleAtomic Solid State Energy Scale
Publication TypeJournal Article
Year of Publication2011
AuthorsPelatt, B. D., R. Ravichandran, J. F. Wager, and D. A. Keszler
JournalJournal of the American Chemical Society
Volume133
Issue42
Pagination16852 - 16860
Date Published10/2011
ISSN1520-5126
Abstract

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.

DOI10.1021/ja204670s
Short TitleJ. Am. Chem. Soc.