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Disorder and defects are not intrinsic to boron carbide

Title data

Mondal, Swastik ; Bykova, Elena ; Dey, Somnath ; Ali, Sk Imran ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid ; Parakhonskiy, Gleb ; van Smaalen, Sander:
Disorder and defects are not intrinsic to boron carbide.
In: Scientific Reports. Vol. 6 (18 January 2016) . - Art. No. 19330.
ISSN 2045-2322
DOI: https://doi.org/10.1038/srep19330

Abstract in another language

A unique combination of useful properties in boron-carbide, such as extreme hardness, excellent fracture toughness, a low density, a high melting point, thermoelectricity, semi-conducting behavior, catalytic activity and a remarkably good chemical stability, makes it an ideal material for a wide range of technological applications. Explaining these properties in terms of chemical bonding has remained a major challenge in boron chemistry. Here we report the synthesis of fully ordered, stoichiometric boron-carbide B13C2 by high-pressure–high-temperature techniques. Our experimental electron-density study using high-resolution single-crystal synchrotron X-ray diffraction data conclusively demonstrates that disorder and defects are not intrinsic to boron carbide, contrary to what was hitherto supposed. A detailed analysis of the electron density distribution reveals charge transfer between structural units in B13C2 and a new type of electron-deficient bond with formally unpaired electrons on the C–B–C group in B13C2. Unprecedented bonding features contribute to the fundamental chemistry and materials science of boron compounds that is of great interest for understanding structure-property relationships and development of novel functional materials.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography > Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen
Profile Fields
Profile Fields > Advanced Fields
Profile Fields > Advanced Fields > Advanced Materials
Research Institutions > Research Centres > Bavarian Research Institute of Experimental Geochemistry and Geophysics - BGI
Research Institutions
Research Institutions > Research Centres
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 500 Natural sciences
500 Science > 530 Physics
500 Science > 550 Earth sciences, geology
Date Deposited: 01 Dec 2016 10:21
Last Modified: 14 Jun 2017 13:15
URI: https://eref.uni-bayreuth.de/id/eprint/35390