Orthorhombic C14 carbon: A novel superhard sp3 carbon allotrope

Yang, Xingjin; Lv, Chunxiao; Liu, Shijie; Zang, Jinhao; Qin, Jinxu; Du, Mingrun; Yang, Dongwen; Li, Xing; Liu, Bingbing; Shan, Chongxin

doi:10.1016/j.carbon.2019.09.049

Cited by 54 publications

(27 citation statements)

References 41 publications

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“…On the other hand, hardness of these phases is much higher than hardness of the vast majority of recently predicted carbon allotropes (C 14 , C 16 , C 24 , C 36 , etc.) [29][30][31][32][33].…”

Section: -3 Mechanical Properties (I) Elastic Constantsmentioning

confidence: 99%

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Novel ultra-hard hexacarbon allotropes from first principles

Matar

Solozhenko

2022

Preprint

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Novel ultra-hard hexacarbon C6 allotropes are proposed based on crystal chemistry rationale and geometry optimization onto ground state structures. Similar to diamond, the orthorhombic, tetragonal and trigonal C6 are cohesive networks of C4 tetrahedra illustrated by charge density projections exhibiting sp3-like carbon hybridization. All three allotropes are identified as mechanically (elastic constants) and dynamically (phonons) stable. The electronic band structures are characteristic of insulators with large band gaps of 4 to 5 eV, like diamond. From three different models evaluating Vickers hardness HV, all new carbon allotropes are identified as ultra-hard.

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Section: -3 Mechanical Properties (I) Elastic Constantsmentioning

confidence: 99%

“…Thus, all three C 6 allotropes have exceptional mechanical properties among all recently proposed carbon allotropes [29][30][31][32][33] and thus can be considered as prospective ultra-hard materials [1].…”

Section: -3 Mechanical Properties (I) Elastic Constantsmentioning

confidence: 99%

Novel ultra-hard hexacarbon allotropes from first principles

Matar

Solozhenko

2022

Preprint

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Section: -3 Mechanical Properties (I) Elastic Constantsmentioning

confidence: 99%

Novel ultra-hard hexacarbon allotropes from first principles

Matar

Solozhenko²

2022

Solid State Sciences

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“…The successful synthesis of T-carbon makes it joining in the carbon family as another achievable 3D carbon allotrope in addition to graphite, diamond, and amorphous carbon (Figure 2). T-carbon's proposal and then experimental realization is a breakthrough in carbon science 21,22 . Compared with other allotropes of carbon, T-carbon has many unique and intriguing properties (Figure 1), suggesting that it could have a wide variety of potential applications in photocatalysis, solar cells, adsorption, energy storage, supercpacitors, aerospace materials, electronic devices, etc.…”

Section: T-carbonmentioning

confidence: 99%

Exploring T-carbon for energy applications

Hao

Yan

et al. 2019

Nanoscale

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Seeking for next-generation energy sources that are economic, sustainable (renewable), clean (environmentfriendly), and abundant in earth is crucial when facing the challenges of energy crisis. There have been numerous studies exploring the possibility of carbon based materials to be utilized in future energy applications. In this paper, we introduce T-carbon, which is a theoretically predicted but recently experimentally synthesized carbon allotrope, as a promising material for next-generation energy applications. It is shown that T-carbon can be potentially used in thermoelectrics, hydrogen storage, lithium ion batteries, etc. The challenges, opportunities, and possible directions for future studies of energy applications of T-carbon are also addressed. With the development of more environment-friendly technologies, the promising applications of T-carbon in energy fields would not only produce scientifically significant impact in related fields but also lead to a number of industrial and technical applications. arXiv:1904.00332v1 [cond-mat.mtrl-sci]

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Orthorhombic C14 carbon: A novel superhard sp3 carbon allotrope

Cited by 54 publications

References 41 publications

Novel ultra-hard hexacarbon allotropes from first principles

Novel ultra-hard hexacarbon allotropes from first principles

Novel ultra-hard hexacarbon allotropes from first principles

Exploring T-carbon for energy applications

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