Atomic Solid State Energy Scale

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• 作者：Brian D. Pelatt ; Ram Ravichandran ; John F. Wager ; Douglas A. Keszler
• 刊名：Journal of the American Chemical Society
• 出版年：2011
• 出版时间：October 26, 2011
• 年：2011
• 卷：133
• 期：42
• 页码：16852-16860
• 全文大小：932K
• 年卷期：v.133,no.42(October 26, 2011)
• ISSN：1520-5126

文摘

A plot of electron affinity (EA) and ionization potential (IP) versus energy band gap (E_G) for 69 binary closed-shell inorganic semiconductors and insulators reveals that E_G is centered about the hydrogen donor/acceptor ionization energy 蔚(+/鈭?. Thus, 蔚(+/鈭?, 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.