Original paper
A superhard carbon allotrope with cage structure: oS44-carbon
Abstract
First-principles calculations are applied to investigate a new carbon allotrope, denoted oS44-carbon, with orthorhombic symmetry and Cmmm space group. This fully sp3-hybridized bonded carbon network resembles an orderly stack of hexagonal prisms and two types of cages. The total energy is lower, and the thermodynamic stability is better, for oS44-carbon than synthesized T-carbon and supercubane. The dynamic stability and mechanical stability of...
Paper Details
Title
A superhard carbon allotrope with cage structure: oS44-carbon
Published Date
Jan 1, 2022
Volume
305
Pages
122653 - 122653
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