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dc.contributor.authorSong, Q.
dc.contributor.authorWang, B.
dc.contributor.authorDeng, K.
dc.contributor.authorFeng, X.
dc.contributor.authorWagner, M.
dc.contributor.authorGale, Julian
dc.contributor.authorMullen, K.
dc.contributor.authorZhi, L.
dc.date.accessioned2017-01-30T14:58:35Z
dc.date.available2017-01-30T14:58:35Z
dc.date.created2012-12-09T20:00:18Z
dc.date.issued2013
dc.identifier.citationSong, Qi and Wang, Bing and Deng, Ke and Feng, Xinliang and Wagner, Manfred and Gale, Julian D. and Mullen, Klaus and Zhi, Linjie. 2013. Graphenylene, a unique two-dimensional carbon network with nondelocalized cyclohexatriene units. Journal of Materials Chemistry C. 1 (1): pp. 38-41.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/42270
dc.identifier.doi10.1039/c2tc00006g
dc.description.abstract

Over many years chemists have established the general principle that two-dimensional chemical structures constructed with pure sp2-carbon atoms will definitely form an aromatic system with delocalized electron density. However, based on a recently proposed chemical structure, graphenylene, this rule may finally be broken. Herein, we predict the properties of a new two-dimensional sp2- carbon network known as graphenylene, which is the first example of a non-delocalized sp2-carbon structure composed of cyclohexatriene units with two quite distinct C–C bonds within a C6 ring. In addition, theoretical calculations demonstrate that graphenylene has periodic pores of 3.2 Å in diameter and is a semiconductor with a narrow direct band gap, making it promising for various applications, such as electronic devices and efficient hydrogen separation. This study provides a new perspective on carbon allotropes, leading to a better understanding of [N]phenylene based organic frameworks, as well as clarifying the relationship between benzene and cyclohexatriene.

dc.publisherRSC Publishing
dc.titleGraphenylene, a unique two-dimensional carbon network with nondelocalized cyclohexatriene units
dc.typeJournal Article
dcterms.source.volume1
dcterms.source.number1
dcterms.source.startPage1
dcterms.source.endPage172
dcterms.source.issn2050-7526
dcterms.source.titleJournal of Materials Chemistry C
curtin.department
curtin.accessStatusOpen access


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