硫黄
氧化还原
再分配(选举)
材料科学
动力学
阴极
反键分子轨道
噻吩
催化作用
无机化学
光化学
电子
化学
物理化学
原子轨道
冶金
有机化学
物理
量子力学
政治
政治学
法学
作者
Guiqiang Cao,Xifei Li,Ruixian Duan,Ke Xu,Kun Zhang,Liping Chen,Qinting Jiang,Jun Li,Jingjing Wang,Ming Li,Ni Wang,Jing Wang,Yunfei Xi,Chong Xie,Wenbin Li
出处
期刊:Nano Energy
[Elsevier]
日期:2023-11-01
卷期号:116: 108755-108755
被引量:1
标识
DOI:10.1016/j.nanoen.2023.108755
摘要
Redistributing the d-orbital of single Fe atom catalysts (SFeACs) has been challenging to optimize redox kinetics of lithium sulfur batteries (LSBs). Here, the Fe-N4/S2C with mounting energy level of dz2 and partial occupation of dxz is controllably fabricated. The increased dz2, originating from thiophene sulfur, upshifts d band center compared to the Fe-N4/C with planar symmetric structure. That promotes electron transfer between Fe-N4 and sulfur, enhancing conversion of polysulfides and solid products. The lower fill of dxz develops hybridization between Fe and S atoms via the form of bonding and antibonding, with alleviating the loss of sulfur. Thus, the sulfur cathode with Fe-N4/S2C delivers a high capacity of 749 mAh g-1 at 2.0 C, accompanied by excellent stability with a lower capacity decay of 0.07% per cycle. This work has developed a novel coordination configuration towards SFeACs and uncovered the intrinsic mechanism of facilitated redox kinetics with SFeACs for LSBs.
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