New carbon allotropes in sp + sp 3 bonding networks consisting of C 8 cubes

Wang, Jian-Tao; Chen, Changfeng; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

doi:10.1039/c7cp08380g

Title: New carbon allotropes in sp + sp ³ bonding networks consisting of C ₈ cubes

Journal Article · Mon Jan 01 00:00:00 EST 2018 · Physical Chemistry Chemical Physics. PCCP (Print)

DOI:https://doi.org/10.1039/c7cp08380g· OSTI ID:1539892

^[1]; Chen, Changfeng ^[2]; Mizuseki, Hiroshi ^[3]; Kawazoe, Yoshiyuki ^[4]

Beijing National Laboratory for Condensed Matter Physics; Institute of Physics; Chinese Academy of Sciences; Beijing 100190; China
Department of Physics and High Pressure Science and Engineering Center; University of Nevada; Las Vegas; USA
Computational Science Research Center; Korea Institute of Science and Technology (KIST); Seoul 02792; Republic of Korea
New Industry Creation Hatchery Center; Tohoku University; Sendai 980-8579; Japan; Department of Physics and Nanotechnology

We identify usingab initiocalculations new types of three-dimensional carbon allotrope constructed by inserting acetylenic or diacetylenic bonds into a body-centered cubic C₈lattice.

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Research Organization:: Univ. of Nevada, Reno, NV (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

DOE Contract Number:: NA0001982

OSTI ID:: 1539892

Journal Information:: Physical Chemistry Chemical Physics. PCCP (Print), Vol. 20, Issue 12; ISSN 1463-9076

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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