A1 Journal article (refereed)
Determining effects of doping lithium nickel oxide with tungsten using Compton scattering (2024)


Kothalawala, V. N., Suzuki, K., Li, X., Barbiellini, B., Nokelainen, J., Makkonen, I., Ferragut, R., Tynjälä, P., Laine, P., Välikangas, J., Hu, T., Lassi, U., Takano, K., Tsuji, N., Amada, Y., Sasikala, D. A. A., Alatalo, M., Sakurai, Y., Sakurai, H., . . . Bansil, A. (2024). Determining effects of doping lithium nickel oxide with tungsten using Compton scattering. APL Energy, 2(2), Article 026102. https://doi.org/10.1063/5.0193527


JYU authors or editors


Publication details

All authors or editorsKothalawala, Veenavee Nipunika; Suzuki, Kosuke; Li, Xin; Barbiellini, Bernardo; Nokelainen, Johannes; Makkonen, Ilja; Ferragut, Rafael; Tynjälä, Pekka; Laine, Petteri; Välikangas, Juho; et al.

Journal or seriesAPL Energy

eISSN2770-9000

Publication year2024

Publication date10/04/2024

Volume2

Issue number2

Article number026102

PublisherAIP Publishing

Publication countryUnited States

Publication languageEnglish

DOIhttps://doi.org/10.1063/5.0193527

Research data linkhttps://github.com/Veenavi92/W-doped-LiNiO2

Publication open accessOpenly available

Publication channel open accessOpen Access channel

Publication is parallel published (JYX)https://jyx.jyu.fi/handle/123456789/94459


Abstract

X-ray Compton scattering experiments along with parallel first-principles computations were carried out on LiNiO2 to understand the effects of W doping on this cathode material for Li-ion batteries. By employing high-energy x rays exceeding 100 keV, an insight is gained into the fate of the W valence electrons, which are adduced to undergo transfer to empty O 2p energy bands within the active oxide matrix of the cathode. The substitution of W for Ni is shown to increase the electronic conductivity and to enhance the total magnetization per Ni atom. Our study demonstrates that an analysis of line shapes of Compton scattered x rays in combination with theoretical modeling can provide a precise method for an atomic level understanding of the nature of the doping process.


Keywordsdoping (semiconductor technology)electrodeslithiumnickeltungstenlithium-ion batteries

Free keywordsdensity functional theory; doping; high-energy X rays; compton scattering; battery materials; lithium-ion batteries; co-precipitation; quantum mechanical models; scattering problem


Contributing organizations


Ministry reportingYes

Reporting Year2024


Last updated on 2024-14-06 at 23:26