Hexagonal MoO3 Anode with Extremely High Capacity and Cyclability for Lithium-Ion Battery: A Combined Theoretical and Experimental Study
By
Yan, Y (Yan, Yu) [1] ; Peng, WL (Peng, Weiliang) [1] , [2] ; Yuan, B (Yuan, Bin) [1] , [2] , [3] ; Li, SB (Li, Shaobo) [1] , [2] ; Liang, JX (Liang, Jinxia) [1] ; Han, QY (Han, Qiying) [3] , [4] ; Li, S (Li, Sen) [3] , [4] ; Hu, RZ (Hu, Renzong) [1] , [2] , [3]
(provided by Clarivate)
Source
ACS APPLIED MATERIALS & INTERFACES
Volume16Issue29Page37840-37852
DOI10.1021/acsami.4c03982
Published
JUL 10 2024
Indexed
2024-08-01
Document Type
Article
Abstract
It is essential and still remains a big challenge to obtain fast-charge anodes with large capacities and long lifespans for Li-ion batteries (LIBs). Among all of the alternative materials, molybdenum trioxide shows the advantages of large theoretical specific capacity, distinct tunnel framework, and low cost. However, there are also some key shortcomings, such as fast capacity decaying due to structural instability during Li insertion and poor rate performance due to low intrinsic electron conductivity and ion diffusion capability, dying to be overcome. A unique strategy is proposed to prepare Ti-h-MoO3-x@TiO2 nanosheets by a one-step hydrothermal approach with NiTi alloy as a control reagent. The density functional theory (DFT) calculations indicate that the doping of Ti element can make the hexagonal h-MoO3-x material show the best electronic structure and it is favor to be synthesized. Furthermore, the hexagonal Ti-h-MoO3-x material has better lithium storage capacity and lithium diffusion capacity than the orthogonal alpha-MoO3 material, and its theoretical capacity is more than 50% higher than that of the orthogonal alpha-MoO3 material. Additionally, it is found that Ti-h-MoO3-x@TiO2 as an anode displays extremely high reversible discharge/charge capacities of 1326.8/1321.3 mAh g(-1) at 1 A g(-1) for 800 cycles and 611.2/606.6 mAh g(-1) at 5 A g(-1) for 2000 cycles. Thus, Ti-h-MoO3-x@TiO2 can be considered a high-power-density and high-energy-density anode material with excellent stability for LIBs.
Keywords
Author Keywordsmolybdenum oxidefast-charge anodeNiTilithium-ion batterytheoretical calculation
Keywords PlusEXCELLENT ELECTROCHEMICAL PERFORMANCECORE-SHELL NANORODSHYDROTHERMAL SYNTHESISALPHA-MOO3 NANOBELTMETASTABLE H-MOO3CATHODE MATERIALSRATE CAPABILITYHIGH-ENERGYCARBONCONVERSION
Author Information
Corresponding Address
Yuan, Bin
(corresponding author)
South China Univ Technol, Sch Mat Sci & Engn, Guangzhou 510640, Peoples R China
Corresponding Address
Yuan, Bin
(corresponding author)
Guangdong Prov Key Lab Adv Energy Storage Mat, Guangzhou 510640, Peoples R China
Corresponding Address
Yuan, Bin
(corresponding author)
Guangdong Prov Waste Lithium Battery Clean Regener, Zhaoqing 526116, 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 Guangdong Prov Key Lab Adv Energy Storage Mat, Guangzhou 510640, Peoples R China
3 Guangdong Prov Waste Lithium Battery Clean Regener, 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 AreasScience & Technology - Other TopicsMaterials Science
Citation Topics
2 Chemistry
2.74 Photocatalysts
2.74.1306 Electrochromism
Sustainable Development Goals
07 Affordable and Clean Energy
Web of Science Categories
Nanoscience & NanotechnologyMaterials Science, Multidisciplinary