五邊石墨烯是一種假設的同素異形體

五邊石墨烯
英文名 Penta-graphene
识别
CAS号 暫未分配
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。
開羅五邊形鑲嵌
五邊石墨烷的頂視(上)及側視圖(下),藍球和黃球代表不同的碳原子,紅球代表氫原子[1]

特性

编辑

其分子結構以五邊形組成,形似開羅五邊形鑲嵌[2]這種形態建基於分析和模擬,在2014年被提出。[2]進一步的計算顯示純粹以此形態存在的碳是不穩定的,[3]但將其氫化後可變得穩定。[1]由於其結構,它罕見地具有負值蒲松比,強度相信比石墨烯高,且據預測它能在高達1000K時仍為化學穩定。[2]

它具有sp2sp3混成的碳原子。與石墨烯等同素異形體相反,其為絕緣體,具4.1–4.3 eV的間接帶隙。其氫化後的化合物為五邊石墨烷(Penta-graphane),其結構更近似於鑽石,只有sp3混成的碳原子,因此其帶隙更闊,約為5.8 eV。[1]另外,手性五邊石墨烯納米管亦被視為碳的亞穩形態。[4][2][5]

參考

编辑
  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.