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Computational screening of structural and compositional factors for electrically conductive coordination polymers

Overview of attention for article published in Journal of the Chemical Society, Faraday Transactions, January 2014
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Title
Computational screening of structural and compositional factors for electrically conductive coordination polymers
Published in
Journal of the Chemical Society, Faraday Transactions, January 2014
DOI 10.1039/c4cp00008k
Pubmed ID
Authors

Davide Tiana, Christopher H. Hendon, Aron Walsh, Thomas P. Vaid

Abstract

The combination of organic and inorganic chemical building blocks to form metal-organic frameworks (MOFs) offers opportunities for producing functional materials suitable for energy generation, storage and conversion. However, such applications rely on robust electron transport and the design of conductive hybrid materials is still in its infancy. Here we apply density functional theory to assess the important structural and compositional factors for forming conducting MOFs. We focus on 1D metal-organic polymers as a model system and assess the choice of organic, inorganic and linking units. The results demonstrate that electronic communication is sensitive to the energy and symmetry of the frontier orbitals associated with the organic and inorganic building blocks and offers guidance on how to optimise electrical conduction in hybrid materials.

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The data shown below were collected from the profiles of 2 X users who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 69 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United Kingdom 2 3%
Belgium 1 1%
Unknown 66 96%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 27 39%
Researcher 11 16%
Student > Doctoral Student 7 10%
Student > Bachelor 5 7%
Student > Master 5 7%
Other 10 14%
Unknown 4 6%
Readers by discipline Count As %
Chemistry 42 61%
Materials Science 13 19%
Engineering 5 7%
Physics and Astronomy 3 4%
Psychology 1 1%
Other 1 1%
Unknown 4 6%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 25 June 2014.
All research outputs
#20,254,701
of 25,756,911 outputs
Outputs from Journal of the Chemical Society, Faraday Transactions
#9,162
of 17,201 outputs
Outputs of similar age
#236,358
of 321,307 outputs
Outputs of similar age from Journal of the Chemical Society, Faraday Transactions
#364
of 524 outputs
Altmetric has tracked 25,756,911 research outputs across all sources so far. This one is in the 18th percentile – i.e., 18% of other outputs scored the same or lower than it.
So far Altmetric has tracked 17,201 research outputs from this source. They receive a mean Attention Score of 2.5. This one is in the 41st percentile – i.e., 41% of its peers scored the same or lower than it.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 321,307 tracked outputs that were published within six weeks on either side of this one in any source. This one is in the 23rd percentile – i.e., 23% of its contemporaries scored the same or lower than it.
We're also able to compare this research output to 524 others from the same source and published within six weeks on either side of this one. This one is in the 27th percentile – i.e., 27% of its contemporaries scored the same or lower than it.