Diamond and Related Materials ( IF 4.3 ) Pub Date : 2022-09-19 , DOI: 10.1016/j.diamond.2022.109383 Vladimir P. Filonenko , Rustem Kh. Bagramov , Igor P. Zibrov , Nikolay M. Chtchelkachev , Sergey G. Lyapin , Pavel V. Enkovich , Vadim V. Brazhkin
Heavily boron-doped graphite was synthesized from a mixture of adamantane and boron using a high-pressure technique. Ab initio calculations of a carbon cluster of 64 atoms located in two layers of graphene with the inclusion of one boron atom were made. Substitution of boron for carbon in the graphene layer correlates with the experimental data if we consider the change in the cell parameters. The easy transformation of the boron-doped graphite lattice into a diamond one at pressure of about 7.5 GPa may be due to the presence of a small number of boron atoms between graphene layers. Heavily boron-doped diamond crystals in the shape of a five-pointed star were found. The mechanism of their growth includes cyclic twinning and is obviously associated with the presence of a fluid phase in the synthesis medium and facilitated twinning of a diamond lattice containing boron.
中文翻译:
高压合成的重硼掺杂石墨和金刚石微晶的结构特征
使用高压技术由金刚烷和硼的混合物合成重硼掺杂石墨。对位于包含一个硼原子的两层石墨烯中的 64 个原子的碳簇进行了从头算计算。如果我们考虑电池参数的变化,石墨烯层中碳的硼替代与实验数据相关。在约 7.5 GPa 的压力下,掺硼石墨晶格很容易转变为金刚石晶格,这可能是由于石墨烯层之间存在少量硼原子。发现了五角星形状的重硼掺杂金刚石晶体。