Electronic chemical potentials of porous metal-organic frameworks

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

Research output: Contribution to journalArticlepeer-review

242 Scopus citations


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.

Original languageEnglish
Pages (from-to)2703-2706
Number of pages4
JournalJournal of the American Chemical Society
Issue number7
StatePublished - 19 Feb 2014


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