Imperial College London
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ProfessorAronWalsh

Faculty of Engineering, Department of Materials

Chair in Materials Design
 
 
 
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Contact

 

+44 (0)20 7594 1178a.walsh Website

 
 
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Location

 

2.10Royal School of MinesSouth Kensington Campus

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Summary

 

Publications

Citation

BibTex format

@article{Kobayashi:2020:10.1039/d0sc03521a,
author = {Kobayashi, Y and Hirata, K and Hood, SN and Yang, H and Walsh, A and Matsushita, Y and Ishioka, K},
doi = {10.1039/d0sc03521a},
journal = {Chemical Science},
pages = {11699--11704},
title = {Crystal structure and metallization mechanism of the π-radical metal TED},
url = {http://dx.doi.org/10.1039/d0sc03521a},
volume = {11},
year = {2020}
}
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RIS format (EndNote, RefMan)

TY  - JOUR
AB  - Radical electrons tend to localize on individual molecules, resulting in an insulating (Mott–Hubbard) bandgap in the solid state. Herein, we report the crystal structure and intrinsic electronic properties of the first single crystal of a π-radical metal, tetrathiafulvalene-extended dicarboxylate (TED). The electrical conductivity is up to 30000 S cm−1 at 2 K and 2300 S cm−1 at room temperature. Temperature dependence of resistivity obeys a T3 power-law above T > 100 K, indicating a new type of metal. X-ray crystallographic analysis clarifies the planar TED molecule, with a symmetric intramolecular hydrogen bond, is stacked along longitudinal (the a-axis) and transverse (the b-axis) directions. The π-orbitals are distributed to avoid strong local interactions. First-principles electronic calculations reveal the origin of the metallization giving rise to a wide bandwidth exceeding 1 eV near the Fermi level. TED demonstrates the effect of two-dimensional stacking of π-orbitals on electron delocalization, where a high carrier mobility of 31.6 cm2 V−1 s−1 (113 K) is achieved.
AU  - Kobayashi,Y
AU  - Hirata,K
AU  - Hood,SN
AU  - Yang,H
AU  - Walsh,A
AU  - Matsushita,Y
AU  - Ishioka,K
DO  - 10.1039/d0sc03521a
EP  - 11704
PY  - 2020///
SN  - 2041-6520
SP  - 11699
TI  - Crystal structure and metallization mechanism of the π-radical metal TED
T2  - Chemical Science
UR  - http://dx.doi.org/10.1039/d0sc03521a
UR  - https://pubs.rsc.org/en/content/articlelanding/2020/SC/D0SC03521A#!divAbstract
UR  - http://hdl.handle.net/10044/1/84276
VL  - 11
ER  -
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