Journal Article

PUBDB-2016-04583

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Disorder and defects are not intrinsic to boron carbide

Mondal, S. (Corresponding author)Extern* ; Bykova, E. ; Dey, S.Extern* ; Ali, S. I. ; Dubrovinskaia, N. ; Dubrovinsky, L.Extern* ; Parakhonskiy, G. ; van Smaalen, S. (Corresponding author)Extern*

2016
Nature Publishing Group London

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Please use a persistent id in citations: doi:10.1038/srep19330

Abstract: 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 B$_{13}$C$_2$ and a new type of electron-deficient bond with formally unpaired electrons on the C–B–C group in B$_{13}$C$_2$. 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.

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Contributing Institute(s):

1. DOOR-User (DOOR)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)

Experiment(s):

1. DORIS Beamline F1 (DORIS III)

Appears in the scientific report 2016

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