Electrolyte-controlled discharge product distribution of Na-O-2 batteries: a combined computational and experimental study

CORC > 上海硅酸盐研究所 > 中国科学院上海硅酸盐研究所 > 高性能陶瓷和超微结构国家重点实验室 > 期刊论文

	Electrolyte-controlled discharge product distribution of Na-O-2 batteries: a combined computational and experimental study
	Wang, Beizhou 1,2; Zhao, Ning 1; Wang, Youwei ; Zhang, Wenqing 1,3; Lu, Wencong 2; Guo, Xiangxin 1; Liu, Jianjun 1
刊名	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
	2017
卷号	19 期号:4 页码:2940-2949
英文摘要	Tuning the composition of discharge products is an important strategy to reduce charge potential, suppress side reactions, and improve the reversibility of metal-oxygen batteries. In the present study, first-principles calculations and experimental confirmation were performed to unravel the influence of O-2 pressure, particle size, and electrolyte on the composition of charge products in Na-O-2 batteries. The electrolytes with medium and high donor numbers (>12.5) are favorable for the formation of sole NaO2, while those with low donor numbers (<12.5) may permit the formation of Na2O2 by disproportionation reactions. Our comparative experiments under different electrolytes confirmed the calculation prediction. Our calculations indicated that O-2 pressure and particle size hardly affect discharge products. On the electrode, only one-electron-transfer electrochemical reaction to form NaO2 takes place, whereas two-electron-transfer electrochemical and chemical reactions to form Na2O2 and Na3O4 are prevented in thermodynamics. The present study explains why metastable NaO2 was identified as a sole discharge product in many experiments, while thermodynamically more stable Na2O2 was not observed. Therefore, to achieve low overpotential, a high-donor- number electrolyte should be applied in the discharge processes of Na-O-2 batteries.
WOS标题词	Science & Technology ; Physical Sciences
类目[WOS]	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
研究领域[WOS]	Chemistry ; Physics
关键词[WOS]	SODIUM-OXYGEN BATTERIES ; RECHARGEABLE LI-O-2 BATTERIES ; TOTAL-ENERGY CALCULATIONS ; SUPEROXIDE NAO2 BATTERY ; LITHIUM-AIR BATTERY ; WAVE BASIS-SET ; REDOX MEDIATOR ; CRYSTAL-STRUCTURE ; CELL CHEMISTRY ; O-2 REDUCTION
收录类别	SCI
语种	英语
WOS记录号	WOS:000394940400033
内容类型	期刊论文
源URL	[http://ir.sic.ac.cn/handle/331005/23568]
专题	上海硅酸盐研究所_高性能陶瓷和超微结构国家重点实验室_期刊论文
作者单位	1.Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, 1295 Dingxi Rd, Shanghai 200050, Peoples R China 2.Shanghai Univ, Coll Sci, Dept Chem, 99 Shangda Rd, Shanghai 200444, Peoples R China 3.Shanghai Univ, Mat Genome Inst, 99 Shangda Rd, Shanghai 200444, Peoples R China
推荐引用方式 GB/T 7714	Wang, Beizhou,Zhao, Ning,Wang, Youwei,et al. Electrolyte-controlled discharge product distribution of Na-O-2 batteries: a combined computational and experimental study[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(4):2940-2949.
APA	Wang, Beizhou.,Zhao, Ning.,Wang, Youwei.,Zhang, Wenqing.,Lu, Wencong.,...&Liu, Jianjun.(2017).Electrolyte-controlled discharge product distribution of Na-O-2 batteries: a combined computational and experimental study.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19(4),2940-2949.
MLA	Wang, Beizhou,et al."Electrolyte-controlled discharge product distribution of Na-O-2 batteries: a combined computational and experimental study".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19.4(2017):2940-2949.