Electronic chemical potentials of porous metal-organic frameworks

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

Research output: Contribution to journalArticle

128 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)2703-2706
Number of pages4
JournalJournal of the American Chemical Society
Volume136
Issue number7
DOIs
Publication statusPublished - 2014 Feb 19

Fingerprint

Chemical potential
Metals
Ionization potential
Vacuum
Valence bands
Binding energy
Electrochemical properties
Chemical properties
Electric properties
Optical properties
Physical properties
Electrons

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Butler, Keith T. ; Hendon, Christopher H. ; Walsh, Aron. / Electronic chemical potentials of porous metal-organic frameworks. In: Journal of the American Chemical Society. 2014 ; Vol. 136, No. 7. pp. 2703-2706.
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Electronic chemical potentials of porous metal-organic frameworks. / Butler, Keith T.; Hendon, Christopher H.; Walsh, Aron.

In: Journal of the American Chemical Society, Vol. 136, No. 7, 19.02.2014, p. 2703-2706.

Research output: Contribution to journalArticle

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