Computational Nanoscience -
Computational Nanoscience -
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计算纳米科学 -
DOI：
10.1039/9781849732680-00377
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
Heggie M
中科院分区：
文献类型：
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作者：
Heggie M
在亚德利小姐、阿斯特伯里先生和伍德先生的协助下，伯纳尔于1924年用当时新的X射线衍射技术测定了石墨的结构。[1]他将碳原子的排列描述为平面内的六边形网，交替叠加，使得每个网中一半的原子与相邻六边形的顶点相对（标记为a），而其余的原子（标记为B）与六边形的中心相对，如图12.1所示。它立即提供了一个解释明显的基底解理面和三角六方对称的石墨晶体，其柔软性和灵活性相比，钻石。伯纳尔还试图使石墨的结构与玻尔的碳原子理论相一致。由此他推断，电子轨道的排列和性质将与金刚石中的电子轨道不同，从而导致当时已知的不同的热，电和光学性质。他还提出，石墨的导电性应该是各向异性的，在基面上的导电性大于垂直于基面的导电性，并希望可以进行测量来解决这个问题。伯纳尔的正确模型后来既指导和
Ably assisted by Miss Yardley, and Messrs Astbury and Wood, JD Bernal determined the structure of graphite in 1924 by the then new technique of X-ray diffraction. 1 He describes the arrangement of carbon atoms as being inplane, hexagonal nets, alternately superposed so that half of the atoms in each net lie opposite the vertices of the hexagons of their neighbours (labelled a) while the remainder (labelled b) are opposite the centres of the hexagons, as shown in Figure 12.1. It immediately provided an explanation for the pronounced basal cleavage plane and trigonal hexagonal symmetry of graphite crystals, and its softness and flexibility compared with diamond. Bernal also sought to reconcile the structure of graphite with Bohr’s atomic theory for carbon atoms. From this he deduced that the arrangement and nature of the electron orbitals would be different from those in diamond, resulting in the different thermal, electrical, and optical properties known at that time. He also proposed that that the electrical conductivity of graphite should be anisotropic, being greater in the basal plane than perpendicular to it, and hoped that measurements might be performed to resolve the matter. Bernal’s correct model has subsequently both guided and