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Study of the Electronic and Optical Properties of Hybrid Triangular (BN)(x)C-y Foams
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.ORCID iD: 0000-0003-0007-0394
2014 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 118, no 38, 22181-22187 p.Article in journal (Refereed) Published
Abstract [en]

The triangular foam is a newly designed 3D network structure only containing sp(2) bonding. The triangular carbon foam and its boron nitride analogue are predicted to be metallic and semiconducting, respectively (Chem. Commun. 2011, 47 (15), 4406-4408). Here a series of hybrid 3D network models from the BN- and C-doping of both carbon and BN foams have been designed. These newly designed hybrid (BN)(x)C-y foams are predicted to have comparable stability with their undoped crystalline networks, and the conversion between metallic and semiconducting behavior can be achieved by different doping patterns. Furthermore, these hybrid network structures have strong absorption in a wide range of UV region and relatively weak absorption in the visible-light range, and they should be quite promising for the design of electronic and optical devices.

Place, publisher, year, edition, pages
2014. Vol. 118, no 38, 22181-22187 p.
National Category
Nano Technology Chemical Sciences Materials Engineering
Identifiers
URN: urn:nbn:se:kth:diva-155147DOI: 10.1021/jp507330jISI: 000342396300048Scopus ID: 2-s2.0-84907459105OAI: oai:DiVA.org:kth-155147DiVA: diva2:760960
Note

QC 20141105

Available from: 2014-11-05 Created: 2014-10-31 Last updated: 2017-12-05Bibliographically approved

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Luo, Yi

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