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Mechanism of charge transport along zinc porphyrin-based molecular wires.

Abstract:

In this study charge transport along zinc porphyrin-based molecular wires is simulated, considering both bandlike and hopping mechanisms. It is shown that bandlike transport simulations yield significantly overestimated hole mobility values. On the basis of kinetic and thermodynamic considerations, it is inferred that charge transport along zinc porphyrin-based molecular wires occurs by small polaron hopping. Hole mobility values on the order of 0.1 cm(2) V(-1) s(-1) are found from small pola...

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Publication status:
Published

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Publisher copy:
10.1021/ja809174y

Authors


Kocherzhenko, AA More by this author
Patwardhan, S More by this author
Grozema, FC More by this author
More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Organic Chemistry
Siebbeles, LD More by this author
Journal:
Journal of the American Chemical Society
Volume:
131
Issue:
15
Pages:
5522-5529
Publication date:
2009-04-05
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
URN:
uuid:266494d7-5fb8-4a1b-8266-0240c166d3ba
Source identifiers:
51779
Local pid:
pubs:51779
Language:
English

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