Understanding the boosted sodium storage behavior of a nanoporous bismuth-nickel anode using operando X-ray diffraction and density functional theory calculations

被引:20
|
作者
Gao, Hui [1 ]
Song, Lin [1 ]
Niu, Jiazheng [1 ]
Zhang, Chi [2 ]
Kou, Tianyi [3 ]
Sun, Yue [1 ]
Qin, Jingyu [1 ]
Peng, Zhangquan [2 ,4 ]
Zhang, Zhonghua [1 ,2 ]
机构
[1] Shandong Univ, Sch Mat Sci & Engn, Minist Educ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Jingshi Rd 17923, Jinan 250061, Shandong, Peoples R China
[2] Wuyi Univ, Sch Appl Phys & Mat, 22 Dongcheng Village, Jiangmen 529020, Peoples R China
[3] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA
[4] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Elect Chem, Changchun 130022, Jilin, Peoples R China
基金
中国国家自然科学基金;
关键词
NA-ION BATTERIES; CATHODE MATERIALS; LITHIUM-ION; HIGH-CAPACITY; ENERGY-STORAGE; ALLOY ANODES; LONG-LIFE; LOW-COST; PERFORMANCE; NANOTUBES;
D O I
10.1039/c9ta03810h
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
To improve the electrochemical performance of metal-based anodes for sodium ion batteries (SIBs), predominant efforts are focused on a nanoporous architecture, metallic alloys, and composites with a conductive substrate. Herein, we for the first time propose a novel channel-enhanced strategy to promote the Na storage performance of alloying-type anodes. We further fabricated a nanoporous (np) Bi50Ni50 alloy which has intra-lattice straight ion channels, via a facile dealloying of ternary Mg-Bi-Ni precursors with suitable Bi/Ni atomic ratios. As an anode for SIBs, the np-Bi50Ni50 alloy exhibits a superior electrochemical performance (specific capacity, rate capability, and cycling stability) as compared to np-Bi75Ni25 without such ion diffusion channels. Electrochemical measurements and density functional theory calculations confirm that the significant performance improvement of np-Bi50Ni50 stems from the intra-lattice straight ion channels, which not only shorten the diffusion distance and lower the inhibition from surrounding atoms during the Na+ diffusion, but also efficiently migrate the lattice deformation and thus improve the stability of the electrode. More importantly, operando X-ray diffraction results reveal that both the np-Bi50Ni50 and np-Bi75Ni25 anodes share a similar Na storage mechanism.
引用
收藏
页码:13602 / 13613
页数:12
相关论文
共 42 条
  • [1] Sodium storage mechanisms of bismuth in sodium ion batteries: An operando X-ray diffraction study
    Gao, Hui
    Ma, Wensheng
    Yang, Wanfeng
    Wang, Jiawei
    Niu, Jiazheng
    Luo, Fakui
    Peng, Zhangquan
    Zhang, Zhonghua
    JOURNAL OF POWER SOURCES, 2018, 379 : 1 - 9
  • [2] Magnesium: Comparison of density functional theory calculations with electron and x-ray diffraction experiments
    Friis, J
    Madsen, GKH
    Larsen, FK
    Jiang, B
    Marthinsen, K
    Holmestad, R
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (21): : 11359 - 11366
  • [3] Studies on fluorinated polyurethanes by X-ray diffraction and density functional theory calculations with periodic boundary conditions
    Wang, Li-Fen
    POLYMER, 2007, 48 (25) : 7414 - 7418
  • [4] Full potential x-ray absorption calculations using time dependent density functional theory
    Bunau, O.
    Joly, Y.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2012, 24 (21)
  • [5] Exploring the sodium storage mechanism in disodium terephthalate as anode for organic battery using density-functional theory calculations
    Sk, Mahasin Alam
    Manzhos, Sergei
    JOURNAL OF POWER SOURCES, 2016, 324 : 572 - 581
  • [6] Unit cell structure of the wurtzite phase of GaP nanowires: X-ray diffraction studies and density functional theory calculations
    Kriegner, Dominik
    Assali, Simone
    Belabbes, Abderrezak
    Etzelstorfer, Tanja
    Holy, Vaclav
    Schuelli, Tobias
    Bechstedt, Friedhelm
    Bakkers, Erik P. A. M.
    Bauer, Guenther
    Stangl, Julian
    PHYSICAL REVIEW B, 2013, 88 (11):
  • [7] A high-pressure study of HfC and nano-crystalline TiC by X-ray diffraction and density functional theory calculations
    Xiong, Lun
    Li, Bin
    Liang, Bi
    Zhu, Jinxia
    Yi, Hong
    Zhang, Junran
    MODERN PHYSICS LETTERS B, 2020, 34 (34):
  • [8] Low-Temperature Phase Transition of Dodecanoic Acid Crystals: A Study Using Raman, Powder X-ray Diffraction, and Density Functional Theory Calculations
    Santos Souza, Gislayllson D.
    Amado, Ana M.
    Teixeira, Alexandre M. R.
    Freire, Paulo T. C.
    Saraiva, Gilberto D.
    Pinheiro, Gardenia S.
    Moreira, Sanclayton G. C.
    de Sousa, Francisco F.
    Nogueira, Carlos E. S.
    CRYSTAL GROWTH & DESIGN, 2020, 20 (01) : 281 - 290
  • [9] A molecular level understanding of antimony immobilization mechanism on goethite by the combination of X-ray absorption spectroscopy and density functional theory calculations
    Sun, Qian
    Liu, Cun
    Fan, Tingting
    Cheng, Hu
    Cui, Peixin
    Gu, Xueyuan
    Chen, Lina
    Ata-Ul-Karim, Syed Tahir
    Zhou, Dongmei
    Wang, Yujun
    SCIENCE OF THE TOTAL ENVIRONMENT, 2023, 865
  • [10] Structural and dynamical investigation of glassforming smectogen by X-ray diffraction and infra-red spectroscopy aided by density functional theory calculations
    Deptuch, Aleksandra
    Gorska, Natalia
    Baran, Stanislaw
    Urbanska, Magdalena
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2025, 330