Work

Electronic Chemical Potentials of Porous Metal–Organic Frameworks

Year: 2014

Type: article

Abstract: 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.

Source: Journal of the American Chemical Society

DOI: 10.1021/ja4110073

Authors: Keith T. Butler, Christopher H. Hendon, Aron Walsh

Institution: University of Bath

Language: English

Topic: Metal-Organic Frameworks: Synthesis and Applications

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $1,217

Funders: University of Bath, Engineering and Physical Sciences Research Council, FP7 Ideas: European Research Council