Electronic Chemical Potentials of Porous Metal–Organic Frameworks

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• 作者：Keith T. Butler ; Christopher H. Hendon ; Aron Walsh
• 刊名：Journal of the American Chemical Society
• 出版年：2014
• 出版时间：February 19, 2014
• 年：2014
• 卷：136
• 期：7
• 页码：2703-2706
• 全文大小：300K
• ISSN：1520-5126

文摘

The binding energy of an electron in a material is a fundamental characteristic, which determines a wealth of important chemical and physical properties. For metal鈥搊rganic frameworks this quantity is hitherto unknown. We present a general approach for determining the vacuum level of porous metal鈥搊rganic frameworks and apply it to obtain the first ionization energy for six prototype materials including zeolitic, covalent, and ionic frameworks. This approach for valence band alignment can explain observations relating to the electrochemical, optical, and electrical properties of porous frameworks.