A novel hybrid sp-sp2 metallic carbon allotrope
Sign Up to like & getrecommendations! Published in 2018 at "Frontiers of Physics"
DOI: 10.1007/s11467-018-0787-x
Abstract: In this paper, we propose a novel hybrid sp-sp2 monoclinic carbon allotrope mC12. This allotrope is a promising light metallic material, the mechanical and electronic properties of which are studied based on first-principles calculations. The… read more here.
Keywords: carbon allotrope; carbon; hybrid sp2; sp2 metallic ... See more keywords
Protomene: A new carbon allotrope
Sign Up to like & getrecommendations! Published in 2018 at "Carbon"
DOI: 10.1016/j.carbon.2017.10.069
Abstract: We introduce a new carbon allotrope named protomene. Its crystal structure is hexagonal, with a fully-relaxed primitive cell involving 48 atoms. Of these, 12 atoms have the potential to switch hybridization between sp2 and sp3,… read more here.
Keywords: carbon allotrope; new carbon; protomene new;
Structural parameters and electronic properties of 2D carbon allotrope: Graphene with a kagome lattice structure
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.138006
Abstract: In this paper, the electronic properties of a carbon allotrope, graphene with a kagome lattice structure, are investigated. Spin-polarized density functional theory (DFT) calculations with Grimme dispersion corrections were done. Bond lengths, electronic band structure,… read more here.
Keywords: carbon allotrope; graphene; structure; electronic properties ... See more keywords
Properties of a predicted tetragonal carbon allotrope: First principles study
Sign Up to like & getrecommendations! Published in 2018 at "Diamond and Related Materials"
DOI: 10.1016/j.diamond.2017.12.017
Abstract: Abstract Carbon is a versatile element having many allotropes with unique properties in the periodic table. In this work, we predicted a tetragonal carbon allotrope formed by five-membered carbon cages. We studied its electronic, vibrational,… read more here.
Keywords: carbon allotrope; carbon; tetragonal carbon; predicted tetragonal ... See more keywords
Development of a processing route for carbon allotrope-based TiC porous nanocomposites
Sign Up to like & getrecommendations! Published in 2017 at "Journal of The European Ceramic Society"
DOI: 10.1016/j.jeurceramsoc.2017.04.016
Abstract: Abstract Ti-foils are currently used as a spallation target material to produce radioisotopes for physics research at the ISOLDE facility at CERN. However, radioisotope production rates often decrease over time due to material degradation from… read more here.
Keywords: carbon allotrope; carbon; route carbon; development processing ... See more keywords
CP-C20, a new metallic cubic carbon allotrope with an sp2 network
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Solid State Chemistry"
DOI: 10.1016/j.jssc.2019.121136
Abstract: Abstract A cubic carbon phase, called cP-C20, is predicted by first-principles calculations. CP-C20 belonging to Pm-3 symmetry consists of 20 atoms in a unit cell. It has an sp2 network and possesses hollow configurations. The… read more here.
Keywords: cubic carbon; carbon allotrope; carbon; sp2 network ... See more keywords
A new carbon allotrope: T5-carbon
Sign Up to like & getrecommendations! Published in 2020 at "Scripta Materialia"
DOI: 10.1016/j.scriptamat.2020.08.004
Abstract: Abstract A novel carbon allotrope is predicted by first-principles calculations. This allotrope is obtained by replacing one of the two atoms in the primitive cell of diamond with a carbon tetrahedron, thus it contains five… read more here.
Keywords: carbon allotrope; carbon; new carbon; allotrope carbon ... See more keywords
Orthorhombic carbon oC48: A new superhard carbon allotrope
Sign Up to like & getrecommendations! Published in 2020 at "Solid State Communications"
DOI: 10.1016/j.ssc.2020.113994
Abstract: Abstract A new superhard carbon allotrope oC48 is uncovered. The mechanical and electronic properties of oC48 were studied by using first principles calculations. The calculated results of elastic constants and phonon dispersion show that oC48… read more here.
Keywords: carbon allotrope; carbon; superhard carbon; new superhard ... See more keywords
Tailored magnetic carbon allotrope catalytic micromotors for 'on-chip' operations.
Sign Up to like & getrecommendations! Published in 2017 at "Nanoscale"
DOI: 10.1039/c6nr09750b
Abstract: Carbon allotrope micromotors are proposed as active components in lab-on-a-chip systems. Highly rough carbon black tubular engines are used for fluorescence detection operations. The potential of ultrafast lectin carbon nanonotube micromotors with an inner anti-biofouling… read more here.
Keywords: carbon allotrope; carbon; tailored magnetic; magnetic carbon ... See more keywords
Pentagraphyne: a new carbon allotrope with superior electronic and optical property
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Materials Chemistry C"
DOI: 10.1039/d0tc04245e
Abstract: Here we proposed a novel two-dimensional (2D) carbon allotrope namely pentagraphyne (PG-yne) which is energetically favourable than other graphyne members, including experimentally synthesized graphyne and graphdiyne monolayer. State-of-the-art theoretical calculations confirm that the new carbon… read more here.
Keywords: carbon allotrope; pentagraphyne new; carbon; new carbon ... See more keywords
Strain tunable band structure of a new 2D carbon allotrope C568
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Semiconductors"
DOI: 10.1088/1674-4926/41/8/082005
Abstract: Recently, C568 has emerged as a new carbon allotrope, which shows semiconducting properties with a band gap around 1 eV and has attracted much attention. In this work, the external strain effects on the electronic… read more here.
Keywords: gap; carbon allotrope; new carbon; band ... See more keywords