Tetrahexcarbon: A two-dimensional allotrope of carbon
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DOI: 10.1016/j.carbon.2018.05.034
Abstract: Abstract A two-dimensional structurally stable carbon allotrope is predicted using first-principles calculations. This unique network is composed of tetra and hexa-rings of carbon atoms known as Tetrahexcarbon. Tetrahexcarbon has a quasiparticle (QP) direct band gap… read more here.
Keywords: tetrahexcarbon two; tetrahexcarbon; carbon tetrahexcarbon; carbon ... See more keywords
C568: A new two-dimensional sp2-sp3 hybridized allotrope of carbon
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DOI: 10.1016/j.carbon.2019.11.062
Abstract: Abstract Using first-principles calculations, we designed a new two-dimensional sp2−sp3 hybridized allotrope of carbon. This allotrope is made up of 5-6-8 carbon rings thus, known as C568. C568 is an indirect semiconductor with a band… read more here.
Keywords: sp2 sp3; carbon; allotrope; c568 ... See more keywords
A Novel Silicon Allotrope in the Monoclinic Phase
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DOI: 10.3390/ma10040441
Abstract: This paper describes a new silicon allotrope in the P2/m space group found by first-principles calculations using the Cambridge Serial Total Energy Package (CASTEP) plane-wave code. The examined P2/m-Si belongs to the monoclinic crystal system.… read more here.
Keywords: novel silicon; silicon allotrope; monoclinic phase; allotrope monoclinic ... See more keywords