Release Time:2019-03-11  Hits:

Indexed by: Journal Article

Date of Publication: 2018-01-01

Journal: CARBON

Included Journals: EI、SCIE

Volume: 126

Page Number: 601-610

ISSN: 0008-6223

Abstract: Metallic carbon has received long-standing attentions for its fascinating applications in superconductivity, electronic devices and high-performance anode materials. Here we design two types of metallic carbon phases, namely O-type and T-type carbon, using self-assembling diamond nanostripes as building block and C=C bond as linkers. These O-type and T-type allotropes are energetically more favorable than most previously identified three-dimensional (3D) metallic carbon allotropies, while their stability is confirmed by a series of first-principles calculations. Excitingly, these all-carbon crystals not only exhibit ultrahigh Fermi velocity and anisotropic electrical conductivity, but also belong to superhard materials with good mechanical properties. By simulating the X-ray diffraction patterns, we propose that O-type and T-type carbon would be one of the unidentified carbon phases observed in recent detonation experiments or shock-compression of tetracyanoethylene (TCE) powder. The good electrical conductivity, high mechanical strength, tunable electronic properties might find applications in electromechanical systems and nanoelectronic devices. (C) 2017 Elsevier Ltd. All rights reserved.