Doping carbon electrodes with sulfur achieves reversible sodium ion storage
Doping carbon electrodes with sulfur achieves reversible sodium ion storage
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用硫掺杂碳电极实现可逆钠离子存储
DOI：
10.1088/2515-7655/acb570
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发表时间：
2023-01
期刊：
影响因子：
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通讯作者：
C. de Tomas;Sarat Alabidun;Luke Chater;Matthew T. Darby;Federico Raffone;P. Restuccia;Heather Au;M. Titirici;C. Cucinotta;Maria Crespo-Ribadenyra
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文献类型：
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作者：
C. de Tomas;Sarat Alabidun;Luke Chater;Matthew T. Darby;Federico Raffone;P. Restuccia;Heather Au;M. Titirici;C. Cucinotta;Maria Crespo-Ribadenyra
我们结合实验和理论来研究钠离子电池硬碳阳极中硫掺杂的影响。硬碳通过两步过程合成：水热碳化，然后热解生物质衍生的碳前体。随后通过化学气相沉积引入硫掺杂。与原始材料相比，所得的掺硫硬碳显示出增强的钠储存能力，并且显着改善了循环可逆性。原子第一原理模拟深入了解了这种行为，揭示了化学吸附到硬碳上的硫增加了钠吸附能并促进钠解吸。这种机制将增加可逆的钠储存，证实我们的实验观察结果，并为更高效的钠离子电池开辟一条途径。
We present a combination of experiments and theory to study the effect of sulfur doping in hard carbons anodes for sodium-ion batteries. Hard carbons are synthesised through a two step process: hydrothermal carbonisation followed by pyrolysis of a biomass-derived carbon precursor. Subsequent sulfur doping is introduced via chemical-vapour deposition. The resulting sulfur-doped hard carbon shows enhanced sodium storage capacity with respect to the pristine material, with significantly improved cycling reversibility. Atomistic first principles simulations give insight into this behaviour, revealing that sulfur chemisorbed onto the hard carbon increases the sodium adsorption energies and facilitates sodium desorption. This mechanism would increase reversible Na storage, confirming our experimental observations and opening a pathway towards more efficient Na-ion batteries.