中文摘要：

二维Ti3C2Tx?石墨烯复合材料导电性能好、比容量高，在储能领域有很重要的应用前景。研究Ti2C、Ti3C2表面与石墨烯的相互作用，有助于认识碳元素对二维碳化物表面修饰的特性。通过计算对比Ti2C、Ti3C2与TiC(111)的表面原子、电子结构，确定Ti2C、Ti3C2与TiC(111)具有相似的活性。从Ti2C、Ti3C2与石墨烯复合得到的材料电子结构可以看出，吸附后石墨烯层内电子结构发生了明显的变化，两类二维结构间存在有强于范德华力的结合。

英文摘要：

Due to high conductivity and specific capacitance,2D Ti3C2Tx-graphene compositehave been demonstrated as promising candidates for energy storage applications.It is necessary toknow the surface character of2D carbides modified by carbon atoms by studying the interactionbetween graphene and them.By calculating the structures of atoms and electrons in surface of Ti2C,Ti3C2and TiC(111)surface,it was confirmed that they have similar activity induced by Ti atoms.After being adsorpted on carbide,the change of electron structure in graphene is explicit.Bondingbetween this two kinds of2D structure is stronger than Van der Waals’force.