Abstract This review discusses the ternary borocarbide Sc2B1.1C3.2 and graphite-like (g-) BC2. Sc2B1.1C3.2 has a layered structure in which two types of layers, graphene-like BC2 and MXene-like Sc2C, are stacked alternately; hence, Sc2B1.1C3.2 can be regarded as a graphene-MXene complex compound. The X-ray diffraction structural analysis was ambiguous due to the close atomic numbers of B and C; however, the most stable structure determined by first-principles calculations had B atoms in the BC2 layer arranged in a √ 3 × √ 3 –R30° superlattice which was an intermediate between the already known BC3 and BC structures. Bulk g-BC2 has also been studied for potential application as the anode of Li-ion batteries. Calculation of the intercalation potential revealed that Li atoms can be intercalated into BC2 to yield Li1.5BC2, which has a specific capacity approximately 3.1 times that of graphite (LiC6).

中文翻译：

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石墨烯-MXene复合化合物和类石墨BC2

摘要 本综述讨论了三元碳化硼 Sc2B1.1C3.2 和类石墨 (g-) BC2。Sc2B1.1C3.2 具有层状结构，其中石墨烯类 BC2 和 MXene 类 Sc2C 两种类型的层交替堆叠；因此，Sc2B1.1C3.2 可视为石墨烯-MXene 复合物。由于 B 和 C 的原子序数接近，X 射线衍射结构分析不明确；然而，由第一性原理计算确定的最稳定的结构是 BC2 层中的 B 原子排列在 √ 3 × √ 3 –R30° 超晶格中，这是已知的 BC3 和 BC 结构之间的中间体。还研究了大块 g-BC2 作为锂离子电池阳极的潜在应用。嵌入电位的计算表明，锂原子可以嵌入 BC2 中产生 Li1.5BC2，