APL Energy (Jun 2024)
Determining effects of doping lithium nickel oxide with tungsten using Compton scattering
- Veenavee Nipunika Kothalawala,
- Kosuke Suzuki,
- Xin Li,
- Bernardo Barbiellini,
- Johannes Nokelainen,
- Ilja Makkonen,
- Rafael Ferragut,
- Pekka Tynjälä,
- Petteri Laine,
- Juho Välikangas,
- Tao Hu,
- Ulla Lassi,
- Kodai Takano,
- Naruki Tsuji,
- Yosuke Amada,
- Assa Aravindh Sasikala Devi,
- Matti Alatalo,
- Yoshiharu Sakurai,
- Hiroshi Sakurai,
- Mohammad Babar,
- Venkatasubramanian Vishwanathan,
- Hasnain Hafiz,
- Arun Bansil
Affiliations
- Veenavee Nipunika Kothalawala
- Department of Physics, School of Engineering Science, LUT University, FI-53851 Lappeenranta, Finland
- Kosuke Suzuki
- Graduate School of Science and Technology, Gunma University, Kiryu, Gunma 376-8515, Japan
- Xin Li
- Department of Physics, School of Engineering Science, LUT University, FI-53851 Lappeenranta, Finland
- Bernardo Barbiellini
- Department of Physics, School of Engineering Science, LUT University, FI-53851 Lappeenranta, Finland
- Johannes Nokelainen
- Department of Physics, School of Engineering Science, LUT University, FI-53851 Lappeenranta, Finland
- Ilja Makkonen
- Department of Physics, University of Helsinki, P.O. Box 43, FI-00014, University of Helsinki, Helsinki, Finland
- Rafael Ferragut
- L-NESS and Department of Physics, Politecnico di Milano, Via Anzani 42, 22100 Como, Italy
- Pekka Tynjälä
- Research Unit of Sustainable Chemistry, University of Oulu, Oulu, Finland
- Petteri Laine
- Research Unit of Sustainable Chemistry, University of Oulu, Oulu, Finland
- Juho Välikangas
- Research Unit of Sustainable Chemistry, University of Oulu, Oulu, Finland
- Tao Hu
- Research Unit of Sustainable Chemistry, University of Oulu, Oulu, Finland
- Ulla Lassi
- Research Unit of Sustainable Chemistry, University of Oulu, Oulu, Finland
- Kodai Takano
- Graduate School of Science and Technology, Gunma University, Kiryu, Gunma 376-8515, Japan
- Naruki Tsuji
- Japan Synchrotron Radiation Research Institute (JASRI), Sayo, Hyogo 679-5198, Japan
- Yosuke Amada
- Graduate School of Science and Technology, Gunma University, Kiryu, Gunma 376-8515, Japan
- Assa Aravindh Sasikala Devi
- Research Unit of Sustainable Chemistry, University of Oulu, Oulu, Finland
- Matti Alatalo
- Nano and Molecular Systems Research Unit, University of Oulu, Pentti Kaiteran Katu 1, 90570 Oulu, Finland
- Yoshiharu Sakurai
- Japan Synchrotron Radiation Research Institute (JASRI), Sayo, Hyogo 679-5198, Japan
- Hiroshi Sakurai
- Graduate School of Science and Technology, Gunma University, Kiryu, Gunma 376-8515, Japan
- Mohammad Babar
- Department of Aerospace Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA
- Venkatasubramanian Vishwanathan
- Department of Aerospace Engineering, University of Michigan, Ann Arbor, Michigan 48109, USA
- Hasnain Hafiz
- Department of Physics, Northeastern University, Boston, Massachusetts 02115, USA
- Arun Bansil
- Department of Physics, Northeastern University, Boston, Massachusetts 02115, USA
- DOI
- https://doi.org/10.1063/5.0193527
- Journal volume & issue
-
Vol. 2,
no. 2
pp. 026102 – 026102-7
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.
