| 李猛,张方源,袁振东.化学通报,2026,89(4):476-483. |
| 三维碳单质T-碳：计算化学与实验化学融合的结晶 |
| T-Carbon: A 3D Carbon Allotrope from Computational and Experimental Chemistry Convergence |
| 投稿时间：2025-08-29 修订日期：2025-12-24 |
| DOI： |
| 中文关键词: T-碳 碳同素异形体 实验化学 计算化学 |
| 英文关键词:T-Carban Allotropes of carbon Experimental chemistry ? Computational chemistry |
| 基金项目:2026年河南省教师教育课程改革研究一般项目(2026-JSJYYB-021)、河南省高校人文社会科学研究一般项目(2026-ZDJH-322)和河南省教育科学规划2025年度一般课题(2025YB0048)资助 |
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| 中文摘要: |
| 通过对T-碳概念发展及合成历程的考证可知，2011年，苏刚及其团队通过密度泛函理论与VASP预测了一位碳家族的新成员—T-碳。2017年，西安交通大学与新加坡南洋理工大学联合研究团队成功在实验室利用激光法首次合成了T-碳。2020年，苏刚及其团队采用PECVD法合成了T-碳，兼容现有的CVD生产线，为T-碳的工业生产打下基础。T-碳在储氢、电池、光催化、超导等领域具有广阔的应用前景，其研究历程体现了计算化学与实验化学的深度融合。 |
| 英文摘要: |
| Through historical research on the development of T-carbon, it is known that in 1985, the synthesis of fullerenes marked the prelude to the artificial creation of carbon allotropes. In 1991, the work of umio Iijima and others unveiled the mysteries of carbon nanotechnology. By 1998, computational chemistry was formally recognized as an independent discipline. The era of carbon allotropes arrived in 2010. Then, in 2011, Su Gang and his team predicted a new member of the carbon family—T-carbon—using density functional theory (DFT) and the Vienna Ab initio Simulation Package (VASP). In 2017, a joint research team led by Zhang Jinying of Xi’an Jiaotong University and Su Haibin of Nanyang Technological University in Singapore successfully synthesized T-carbon for the first time in the laboratory using the laser ablation method. In 2020, Su Gang’s team achieved the synthesis of T-carbon via Plasma-Enhanced Chemical Vapor Deposition (PECVD), a method compatible with existing CVD production lines, laying the foundation for its industrial-scale manufacturing.T-carbon holds broad application prospects in hydrogen storage, batteries, photocatalysis, superconductivity, and other fields. The research journey embodies the deep integration of computational and experimental chemistry. |
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