Electronic Structure Modulation of Metal-Organic Frameworks for Hybrid Devices
File(s)
Author(s)
Butler, KT
Hendon, CH
Walsh, A
Type
Journal Article
Abstract
The study of metal–organic frameworks has largely been motivated by their structural and chemical diversity; however, these materials also possess rich physics, including optical, electronic, and magnetic activity. If these materials are to be employed in devices, it is necessary to develop an understanding of their solid-state behavior. We report an approach to calculate the effect of strain on the band structure of porous frameworks. The origin of the bidirectional absolute deformation potentials can be described from perturbations of the organic and inorganic building blocks. The unified approach allows us to propose several uses for hybrid materials, beyond their traditionally posited applications, including gas sensing, photoelectrochemistry, and as hybrid transistors.
Date Issued
2014-12-01
Date Acceptance
2014-12-01
Citation
ACS Applied Materials & Interfaces, 2014, 6 (24), pp.22044-22050
ISSN
1944-8244
Publisher
American Chemical Society
Start Page
22044
End Page
22050
Journal / Book Title
ACS Applied Materials & Interfaces
Volume
6
Issue
24
Copyright Statement
This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
Subjects
Science & Technology
Technology
Nanoscience & Nanotechnology
Materials Science, Multidisciplinary
Science & Technology - Other Topics
Materials Science
electronic structure
MOF
hybrid solid
deformation
band gap engineering
NEGATIVE THERMAL-EXPANSION
DEFORMATION POTENTIALS
METHANE STORAGE
SEMICONDUCTORS
ADSORPTION
CRYSTALLINE
TRANSITIONS
POLYMER
SOLIDS
MOF-5
0904 Chemical Engineering
0303 Macromolecular And Materials Chemistry
0306 Physical Chemistry (Incl. Structural)
Publication Status
Published