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Electronic chemical potentials of porous metal-organic frameworks.

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.

SUBMITTER: Butler KT

PROVIDER: S-EPMC3946036 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

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Electronic chemical potentials of porous metal-organic frameworks.

Butler Keith T KT Hendon Christopher H CH Walsh Aron A

Journal of the American Chemical Society 20140206 7

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 ...[more]

PMID: 24447027

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