石墨炔的化学修饰及功能化

石墨炔特殊的电子结构和孔洞结构使其在信息技术、电子、能源、催化以及光电等领域具有潜在、重要的应用前景。近几年石墨炔的基础和应用研究已取得了重要成果，并迅速成为了碳材料研究中的新领域。石墨炔中炔键单元的高活性为其化学修饰与掺杂提供了良好的平台。在这篇综述中，我们将重点介绍石墨炔的非金属杂原子掺杂、金属原子修饰以及表面改性，并深入探讨掺杂与衍生化对石墨炔材料的电子性质的影响及其对光电化学催化性能的协同增强。

Chemical Modification and Functionalization of Graphdiyne

Graphdiyne features sp and sp² hybridized carbon atoms. The direct natural band gap and Dirac cone structure for graphdiyne are believed to originated from inhomogeneous π-bonding of differently hybridized carbon atoms and overlap of carbon 2p_z orbitals. The special electronic structures and pore structures of graphdiyne are responsible for its potential and important applications in the fields of information technology, electronics, energy, catalysis, and optoelectronics. Recent basic and applied research studies of graphdiyne have led to important results; as a result, graphdiyne has become a new research field for carbon materials. The high activity of acetylenic units in graphdiyne provides a good platform for chemical modification and doping. Several approaches have been developed to modify the band gap of graphdiyne, including invoking strain, BN-doping, preparing nanoribbons, and hydrogenation, leading to a new graphdiyne (GDY) or graphyne (GY) derivatives. In this review, we summarize the recent progress in nonmetallic heteroatom doping, especially by nitrogen, boron, or oxygen; by modifying metal atoms for tuning electronic/spintronic properties, enhancing water splitting performance, and applying dye-sensitized solar cells and catalysts; and by surface functionalization of graphdiyne via hydrogenation, hydroxylation, and halogenation to adjust the band gap. Hence, it can be surmised that the electronic structures of graphdiynes can be tuned for specific applications. These results suggest that graphdiynes can be more advantageous than grapheme for tailoring energy band gaps for application in nanoelectronics. We also discuss the influence of doping and functionalization on the electronic properties of graphdiyne and their effects on the synergistic enhancement of photoelectrocatalytic performance. We hope that the deep and wide application of these new materials in many fields such as energy transfer and storage, catalyst, electronics, gas separation, and spintronics will draw much attention and become a widely focused research direction.