Metal-free heteroatom integrated defect engineering of flexible carbon networks on tin oxide nanoparticles to enhance lithium-ion battery performance

IF 23.2 2区 材料科学 Q1 MATERIALS SCIENCE, COMPOSITES Advanced Composites and Hybrid Materials Pub Date : 2024-11-27 DOI:10.1007/s42114-024-01048-5
Saima Batool, Muhammad Idrees, Muhammad Sufiyan Javed, Junguo Xu, Munirah D. Albaqami, Awais Ahmad
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Abstract

We propose an innovative and straightforward approach to mitigate the mechanical strain of tin oxide nanoparticles via coating them with a heteroatom-integrated honeycomb-like carbon layer. This design improves the stability of the electrode–electrolyte interface. Tin oxide nanoparticles were coated with a carbon layer integrated with sulfur and nitrogen using phenolic resin and 2,5-mercapto-1,3,4-thiadiazole, followed by reduction and carbonization, resulting in the SnO₂@S,N–C nanocomposite. The heteroatom doping disrupts the carbon lattice, creating vacancies, defects, and functional groups that serve as active sites for lithium-ion adsorption and enhance ion diffusion. The porous carbon layer enables efficient electrolyte penetration and accommodates volume changes during cycling. The engineered SnO₂@S,N–C and SnO₂@C anode materials exhibited impressive lithium-ion storage capacities of 840 mAh g−1 and 640 mAh g−1 at 0.1 A g−1, respectively, with a coulombic efficiency of over 99% sustained for up to 750 cycles. Additionally, SnO₂@S,N–C retained specific capacities of 505.79 and 387.99 mAh g−1 at current densities of 0.6 A g−1 and 1.0 A g−1, respectively, maintaining a ≥ 99% coulombic efficiency for up to 100 cycles. Density functional theory (DFT) calculations confirmed a strong binding affinity for lithium ions on SnO2@S,N–C. This method demonstrates a promising strategy for optimizing anode materials in high-performance lithium-ion batteries.

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氧化锡纳米颗粒上柔性碳网络的无金属杂原子集成缺陷工程,以提高锂离子电池性能
我们提出了一种创新而直接的方法,通过在氧化锡纳米粒子上涂覆杂原子集成蜂窝状碳层来减轻其机械应变。这种设计提高了电极-电解质界面的稳定性。利用酚醛树脂和 2,5-巯基-1,3,4-噻二唑在氧化锡纳米粒子上涂覆一层含硫和氮的碳层,然后进行还原和碳化,最终得到 SnO₂@S,N-C 纳米复合材料。杂原子掺杂破坏了碳晶格,产生了空位、缺陷和官能团,这些空位、缺陷和官能团可作为锂离子吸附的活性位点并增强离子扩散。多孔碳层能使电解液有效渗透,并适应循环过程中的体积变化。工程化 SnO₂@S,N-C 和 SnO₂@C 阳极材料在 0.1 A g-1 条件下的锂离子存储容量分别为 840 mAh g-1 和 640 mAh g-1,库仑效率超过 99%,可持续循环 750 次。此外,在电流密度为 0.6 A g-1 和 1.0 A g-1 时,SnO₂@S,N-C 的比容量分别为 505.79 mAh g-1 和 387.99 mAh g-1,库仑效率≥99%,可维持 100 次循环。密度泛函理论(DFT)计算证实,SnO2@S,N-C 与锂离子的结合亲和力很强。这种方法为优化高性能锂离子电池的负极材料展示了一种前景广阔的策略。
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来源期刊
CiteScore
26.00
自引率
21.40%
发文量
185
期刊介绍: Advanced Composites and Hybrid Materials is a leading international journal that promotes interdisciplinary collaboration among materials scientists, engineers, chemists, biologists, and physicists working on composites, including nanocomposites. Our aim is to facilitate rapid scientific communication in this field. The journal publishes high-quality research on various aspects of composite materials, including materials design, surface and interface science/engineering, manufacturing, structure control, property design, device fabrication, and other applications. We also welcome simulation and modeling studies that are relevant to composites. Additionally, papers focusing on the relationship between fillers and the matrix are of particular interest. Our scope includes polymer, metal, and ceramic matrices, with a special emphasis on reviews and meta-analyses related to materials selection. We cover a wide range of topics, including transport properties, strategies for controlling interfaces and composition distribution, bottom-up assembly of nanocomposites, highly porous and high-density composites, electronic structure design, materials synergisms, and thermoelectric materials. Advanced Composites and Hybrid Materials follows a rigorous single-blind peer-review process to ensure the quality and integrity of the published work.
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