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New phase of polymeric C~60~: double chains via [2+2] cycloaddition by Vasilii I. Artyukhov; Elena E. Belova; Leonid A. Chernozatonskii is a Physics and Astronomy article available to read on EtoBox.

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## Abstract We investigate the structure of a new phase of one‐dimensional polymeric C~60~ that has recently been demonstrated to form from the orthorhombic phase of polymeric C~60~ as a result of pressure‐driven photopolymerization, using __ab initio__ calculations at the density‐functional theory level. The transition to the new phase proceeds via formation of additional [2+2] bonds between neighbouring C~60~ chains of the O phase, resulting in double chains of C~60~ units along the [100] crystallographic direction. The new phase is a semiconductor, like the original O phase, but with a narrower band gap. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

Who reads New phase of polymeric C~60~: double chains via [2+2] cycloaddition?

Author

Vasilii I. Artyukhov; Elena E. Belova; Leonid A. Chernozatonskii

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Ltd.; Wiley (ISSN 0370-1972)

Published

2008

Language

EN

Field

Physics and Astronomy (Physical Sciences)