Towards understanding the effects of carbon and nitrogen-doped carbon coating on the electrochemical performance of Li4Ti5O12 in lithium ion batteries: a combined experimental and theoretical study
文献类型：期刊论文
| 作者 | Ding, ZJ ; Zhao, L ; Suo, LM ; Jiao, Y ; Meng, S ; Hu, YS ; Wang, ZX ; Chen, LQ |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2011 |
| 卷号 | 13期号:33页码:15127 |
| ISSN号 | 1463-9076 |
| 关键词 | AB-INITIO ELECTRONIC-PROPERTIES STORAGE DEVICES LIFEPO4 SPINEL ANODE GROWTH |
| 通讯作者 | Meng, S (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | We investigate the effects of carbon coating, with and without nitrogen-dopants, on the electrochemical performance of a promising anode material Li4Ti5O12 (LTO) in lithium ion battery applications. The comparative experimental results show that LTO samples coated with nitrogen-doped carbon derived from pyridine and an ionic liquid exhibit significant improvements in rate capability and cycling performance compared with a LTO sample coated by carbon derived from toluene and the pristine LTO sample. For the first time, we construct an atomistic model for the interface between the lithium transition metal oxide and carbon coating layers. Our first-principles calculations based on density functional theory reveal that at this interface there is strong binding between the graphene coating layer and the Ti-terminated LTO surface, which significantly reduces the chemical activity of LTO surfaces and stabilizes the electrode/electrolyte interface, providing a clue to solve the swelling problem for LTO-based batteries. More importantly, electron transfer from the LTO surface to graphene greatly improves the electric conductivity of the interface. Nitrogen-dopants in graphene coatings further increase the interfacial stability and electric conductivity, which is beneficial to the electrochemical performance in energy storage applications. |
| 资助信息 | Chinese Academy of Sciences [KJCX2-YW-W26]; "863" Project [2009AA033101]; "973" Projects [2007CB936500, 2010CB833102]; NSFC [50972164] |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-23 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/45998]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Ding, ZJ,Zhao, L,Suo, LM,et al. Towards understanding the effects of carbon and nitrogen-doped carbon coating on the electrochemical performance of Li4Ti5O12 in lithium ion batteries: a combined experimental and theoretical study[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2011,13(33):15127. |
| APA | Ding, ZJ.,Zhao, L.,Suo, LM.,Jiao, Y.,Meng, S.,...&Chen, LQ.(2011).Towards understanding the effects of carbon and nitrogen-doped carbon coating on the electrochemical performance of Li4Ti5O12 in lithium ion batteries: a combined experimental and theoretical study.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,13(33),15127. |
| MLA | Ding, ZJ,et al."Towards understanding the effects of carbon and nitrogen-doped carbon coating on the electrochemical performance of Li4Ti5O12 in lithium ion batteries: a combined experimental and theoretical study".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13.33(2011):15127. |
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来源：物理研究所
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