| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Attfield, Martin
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (8/8 displayed)
- 2024Mixed matrix and thin-film nanocomposite membranes of PIM-1 and hydrolyzed PIM-1 with Ni- and Co-MOF-74 nanoparticles for CO 2 separation: Comparison of blending, grafting and crosslinking fabrication methodscitations
- 2023Breathing Behaviour Modification of Gallium MIL‐53 Metal–Organic Frameworks Induced by the Bridging Framework Inorganic Anioncitations
- 2021Crystal growth of the core and rotated epitaxial shell of a heterometallic metal-organic framework revealed with atomic force microscopycitations
- 2018Anodic dissolution growth of metal-organic framework HKUST-1 monitored via in situ electrochemical atomic force microscopycitations
- 2017Electronic structure design for nanoporous, electrically conductive zeolitic imidazolate frameworks
- 2017Electronic structure design for nanoporous, electrically conductive zeolitic imidazolate frameworkscitations
- 2017Predicting crystal growth via a unified kinetic three-dimensional partition modelcitations
- 2016Metal-organic framework templated electrodeposition of functional gold nanostructurescitations
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article
Electronic structure design for nanoporous, electrically conductive zeolitic imidazolate frameworks
Abstract
<p>Electronic structure calculations are used to develop design rules for enhanced electrical conductivity in zeolitic imidazolate frameworks. The electrical resistivity of Co<sup>2+</sup> based zeolitic imidazolate frameworks has previously been found to be ∼1000 times lower than that of Zn<sup>2+</sup> based materials. The electrical conductivity of the frameworks can also be tuned by ligand molecule selection. Using density functional theory calculations, this controllable electrical conductivity is explained in terms of tuneable conduction band edge character, with calculations revealing the improved hybridisation and extended band character of the Co<sup>2+</sup> frameworks. The improvements in the methylimidazolate frameworks are understood in terms of improved frontier orbital matching between metal and ligand. The modular tuneability and previously demonstrated facile synthesis provides a route to rational design of stable framework materials for electronic applications. By outlining these design principles we provide a route to the future development of stable, electrically conductive zeolitic imidazolate frameworks.</p>