An Overview on the Advances of LiCoO2 Cathodes for Lithium‐Ion Batteries

Y Lyu, X Wu, K Wang, Z Feng, T Cheng… - Advanced Energy …, 2021 - Wiley Online Library
LiCoO2, discovered as a lithium‐ion intercalation material in 1980 by Prof. John B.
Goodenough, is still the dominant cathode for lithium‐ion batteries (LIBs) in the portable …

[HTML][HTML] Understanding the influence of crystal packing density on electrochemical energy storage materials

W Dong, F Huang - eScience, 2024 - Elsevier
Crystal structure determines electrochemical energy storage characteristics; this is the
underlying logic of material design. To date, hundreds of electrode materials have been …

High-Capacity Oxide Cathode beyond 300 mAh/g: Focus Review

S Jiao, J Wang, YS Hu, X Yu, H Li - ACS Energy Letters, 2023 - ACS Publications
The pursuit of high-energy-density lithium-ion batteries (LIBs) hinges upon the relentless
development of advanced cathode materials. The inherent high operating voltage renders …

Cation disorder dominates the defect chemistry of high-voltage LiMn 1.5 Ni 0.5 O 4 (LMNO) spinel cathodes

J Cen, B Zhu, SR Kavanagh, AG Squires… - Journal of Materials …, 2023 - pubs.rsc.org
High-voltage spinel LiMn1. 5Ni0. 5O4 (LMNO) can exist in a Mn/Ni ordered P4332 or
disordered Fdm arrangement with a majority of literature studies reporting improved …

Planar gliding and vacancy condensation: the role of dislocations in the chemomechanical degradation of layered transition-metal oxides

M Sadowski, L Koch, K Albe, S Sicolo - Chemistry of Materials, 2022 - ACS Publications
Stacking faults driven by dislocations have been observed in layered transition-metal oxide
cathodes both in cycled and uncycled materials. The reversibility of stacking-sequence …

Lithium-Ion Diffusion in Near-Stoichiometric Polycrystalline and Monocrystalline LiCoO2

D Uxa, E Hüger, K Meyer, L Dörrer… - Chemistry of …, 2023 - ACS Publications
Lithium-metal-oxide-based cathode materials like LiCoO2 are an essential part of lithium-ion
batteries, which are intensively researched and continuously improved. For a basic …

Combining Landau–Zener theory and kinetic Monte Carlo sampling for small polaron mobility of doped BiVO 4 from first-principles

F Wu, Y Ping - Journal of Materials Chemistry A, 2018 - pubs.rsc.org
Transition metal oxides such as BiVO4 are promising photoelectrode materials for solar-to-
fuel conversion applications. However, their performance is limited by the low carrier …

Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study

DA Aksyonov, SS Fedotov, KJ Stevenson… - Computational Materials …, 2018 - Elsevier
High ionic conductivity is a prerequisite requirement for materials used in monovalent metal-
ion rechargeable batteries. The extensive search of new electrode materials for Na-ion and …

Insights into the structural and thermodynamic instability of Ni-rich NMC cathode

NTT Tran, C Lin, S Lin - ACS Sustainable Chemistry & …, 2023 - ACS Publications
The Ni-rich LiNi1-x-yMn x Co y O2 (NMC) layered oxides have been promising materials to
replace the LiCoO2 commercial cathode due to their high operation voltages, low cost, and …

Pivotal Role of Intersite Hubbard Interactions in Fe-Doped α-MnO2

R Mahajan, A Kashyap, I Timrov - The Journal of Physical …, 2022 - ACS Publications
We present a first-principles investigation of the structural, electronic, and magnetic
properties of the pristine and Fe-doped α-MnO2 using density-functional theory with …