材料科学
兴奋剂
微观结构
合理设计
碳纤维
化学工程
空位缺陷
纳米技术
杂原子
复合材料
光电子学
有机化学
结晶学
化学
戒指(化学)
工程类
复合数
作者
Zhensheng Hong,Yang Zhen,Yurong Ruan,Meiling Kang,Kaiqiang Zhou,Jianmin Zhang,Zhigao Huang,Mingdeng Wei
标识
DOI:10.1002/adma.201802035
摘要
Heteroatom-doping is a promising strategy to tuning the microstructure of carbon material toward improved electrochemical storage performance. However, it is a big challenge to control the doping sites for heteroatom-doping and the rational design of doping is urgently needed. Herein, S doping sites and the influence of interlayer spacing for two kinds of hard carbon, perfect structure and vacancy defect structure, are explored by the first-principles method. S prefers doping in the interlayer for the former with interlayer distance of 3.997 Å, while S is doped on the carbon layer for the latter with interlayer distance of 3.695 Å. More importantly, one step molten salts method is developed as a universal synthetic strategy to fabricate hard carbon with tunable microstructure. It is demonstrated by the experimental results that S-doping hard carbon with fewer pores exhibits a larger interlayer spacing than that of porous carbon, agreeing well with the theoretical prediction. Furthermore, the S-doping carbon with larger interlayer distance and fewer pores exhibits remarkably large reversible capacity, excellent rate performance, and long-term cycling stability for Na-ion storage. A stable and reversible capacity of ≈200 mAh g-1 is steadily kept even after 4000 cycles at 1 A g-1 .
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