Enhanced diffusion kinetics in Y-doped SnO2 anodes for low-temperature lithium-ion batteries: A combined theoretical and experimental study
By
Wen, Y (Wen, Ya) [1] , [2] ; Yuan, B (Yuan, Bin) [1] , [2] , [3] ; Peng, WL (Peng, Weiliang) [1] , [2] ; Liu, Y (Liu, Yu) [1] , [2] ; Han, QY (Han, Qiying) [3] , [4] ; Hu, RZ (Hu, Renzong) [1] , [2] , [3]
(provided by Clarivate)
Source
JOURNAL OF ALLOYS AND COMPOUNDS
Volume990
DOI10.1016/j.jallcom.2024.174481
Article Number
174481
Published
JUN 30 2024
Early Access
APR 2024
Indexed
2024-05-30
Document Type
Article
Abstract
In recent years, there has been an increasing demand for lithium-ion batteries suitable for low temperatures in various fields. SnO2, with its high theoretical specific capacity, has emerged as an ideal candidate for low-temperature lithium-ion batteries. However, tin oxide exhibits inherent issues such as poor conductivity and limited cycle reversibility. Enhancing the diffusion rate of lithium ions in tin oxide is crucial for improving its low-temperature performance. We use first-principles calculations based on Density Functional Theory (DFT) to investigate the doping models of various transition metal elements (Sc, Y, Ti, Zr, V, Nb, Gr, Mo, Mn, Fe, Co, Ni) with a rational ratio of 4 % in SnO2. The results indicate that Y doping decreases the band gap of SnO2 by 0.253 eV, leading to a significant reduction in the Li-ion diffusion barrier of a-Sn. Furthermore, the synthesized SnO2 doped with Y (Y-SnO2) electrode exhibited excellent cyclic stability as an anode and achieved a high reversible capacity of 672 mAh g(-1) at 10 degrees C, surpassing that of the pure SnO2 (450 mAh g(-1)). Moreover, it demonstrated a higher diffusion coefficient of lithium ions and lower charge transfer impedance at both low and room temperatures.
Keywords
Author KeywordsLow-temperature lithium-ion batteryAnodeTin oxideTheoretical calculation
Keywords PlusFACILE SYNTHESISHETEROSTRUCTURESCAPACITYSTORAGE
Author Information
Corresponding Address
Yuan, Bin
(corresponding author)
South China Univ Technol, Sch Mat Sci & Engn, Guangzhou 510640, Peoples R China
E-mail Addresses
apsheng@scut.edu.cn
Addresses
1 South China Univ Technol, Sch Mat Sci & Engn, Guangzhou 510640, Peoples R China
2 Key Lab Adv Energy Storage Mat Guangdong Prov, Guangzhou, Peoples R China
3 Guangdong Prov Wsaste Lithium Battery Clean Regene, Zhaoqing 526116, Peoples R China
4 Guangdong Jinsheng New Energy Co Ltd, Zhaoqing 526116, Peoples R China
E-mail Addresses
apsheng@scut.edu.cn
Categories/ Classification
Research AreasChemistryMaterials ScienceMetallurgy & Metallurgical Engineering
Citation Topics
2 Chemistry
2.62 Electrochemistry
2.62.52 Supercapacitor
Sustainable Development Goals
11 Sustainable Cities and Communities
Web of Science Categories
Chemistry, PhysicalMaterials Science, MultidisciplinaryMetallurgy & Metallurgical Engineering