Electronic Chemical Potentials of Porous Metal-Organic Frameworks

被引：259

作者：

Butler, Keith T. ^{[1
]}

Hendon, Christopher H. ^{[1
]}

Walsh, Aron ^{[1
]}

机构：

[1] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2014年 / 136卷 / 07期

基金：

英国工程与自然科学研究理事会;

关键词：

CRYSTALLINE; ALIGNMENT; BEHAVIOR; MOF-5; ROOM;

D O I：

10.1021/ja4110073

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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 organic frameworks this quantity is hitherto unknown. We present a general approach for determining the vacuum level of porous metal organic 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.

引用

收藏

页码：2703 / 2706

页数：4

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