五边石墨烯

五边石墨烯是一种假设的同素异形体

五边石墨烯
英文名 Penta-graphene
识别
CAS号 暂未分配
性质
化学式 Cx
若非注明,所有数据均出自标准状态(25 ℃,100 kPa)下。
开罗五边形镶嵌
五边石墨烷的顶视(上)及侧视图(下),蓝球和黄球代表不同的碳原子,红球代表氢原子[1]

特性

其分子结构以五边形组成,形似开罗五边形镶嵌[2]这种形态建基于分析和模拟,在2014年被提出。[2]进一步的计算显示纯粹以此形态存在的碳是不稳定的,[3]但将其氢化后可变得稳定。[1]由于其结构,它罕见地具有负值蒲松比,强度相信比石墨烯高,且据预测它能在高达1000K时仍为化学稳定。[2]

它具有sp2sp3混成的碳原子。与石墨烯等同素异形体相反,其为绝缘体,具4.1–4.3 eV的间接带隙。其氢化后的化合物为五边石墨烷(Penta-graphane),其结构更近似于钻石,只有sp3混成的碳原子,因此其带隙更阔,约为5.8 eV。[1]另外,手性五边石墨烯纳米管亦被视为碳的亚稳形态。[4][2][5]

参考

  1. ^ 1.0 1.1 1.2 Einollahzadeh, Hamideh; Fazeli, Seyed Mahdi; Dariani, Reza Sabet. Studying the electronic and phononic structure of penta-graphane. Science and Technology of Advanced Materials. 2016, 17 (1): 610–617. PMC 5102001 . PMID 27877907. arXiv:1511.06850 . doi:10.1080/14686996.2016.1219970. 
  2. ^ 2.0 2.1 2.2 2.3 Zhang, S.; Zhou, J.; Wang, Q.; Chen, X.; Kawazoe, Y.; Jena, P. Penta-graphene: A new carbon allotrope. Proceedings of the National Academy of Sciences. 2015, 112 (8): 201416591. Bibcode:2015PNAS..112.2372Z. PMC 4345574 . doi:10.1073/pnas.1416591112. 
  3. ^ Ewels, Christopher P.; Rocquefelte, Xavier; Kroto, Harold W.; Rayson, Mark J.; Briddon, Patrick R.; Heggie, Malcolm I. Predicting experimentally stable allotropes: Instability of penta-graphene. Proceedings of the National Academy of Sciences. 2015, 112 (51): 15609–12. Bibcode:2015PNAS..11215609E. PMC 4697406 . PMID 26644554. doi:10.1073/pnas.1520402112. 
  4. ^ Quijano-Briones, JJ.; Fernandez_escamilla, HN; Tlahuice-Flores, Alfredo. Chiral penta-graphene nanotubes: Structure, bonding and electronic properties. Computational and Theoretical Chemistry. 2017, 1108: 201520402. doi:10.1016/j.comptc.2017.03.019. 
  5. ^ Avramon, P; Demin, V; Luo, M. Translation Symmetry Breakdown in Low-Dimensional Lattices of Pentagonal Rings. J. Phys. Chem. Lett. 2015, 6 (22): 4525–4531. doi:10.1021/acs.jpclett.5b02309.