Enhanced electrochemical performance of Ni-rich cathode material by N-doped LiAlO2 surface modification for lithium-ion batteries

Q Li, G Yang, Y Chu, C Tan, Q Pan, F Zheng, Y Li… - Electrochimica …, 2021 - Elsevier
Abstract LiNi 0.6 Co 0.2 Mn 0.2 O 2 (NCM) cathodes are regarded as prospective cathodes
for high-performance Lithium ion batteries due to its low costs and high energy density …

First-principles study of the surface properties of γ-LiAlO2: Stability and tritium adsorption

T Jia, Z Zeng, H Paudel, DJ Senor, Y Duan - Journal of Nuclear Materials, 2019 - Elsevier
Abstract γ-LiAlO 2 enriched with 6 Li isotope exhibits excellent performance under neutron
radiation and is used in tritium-producing burnable absorber rods (TPBARs) to produce …

A First-Principles Density Function Theory Study of Tritium Diffusion in Li2ZrO3: Application for Producing Tritium

HP Paudel, Y Duan - The Journal of physical chemistry C, 2018 - ACS Publications
The ceramic material Li2ZrO3 has superior thermo-physical and thermo-chemical properties
and is highly compatible with other blanket materials used in nuclear reactors. Like LiAlO2, it …

Characterization and optical properties of m-Li2ZrO3 prepared by optimized solid-state reaction

JP Yasno, S Conconi, G Suarez - Advanced Powder Technology, 2022 - Elsevier
Abstract m-Li 2 ZrO 3 powders were successfully prepared by solid-state reaction method
using Li 2 CO 3 and ZrO 2 as raw materials. The synthesis was optimized by varying the ball …

Theoretical study of the electronic, thermodynamic, and thermo-conductive properties of γ-LiAlO2 with 6Li isotope substitutions for tritium production

Y Duan, DC Sorescu, W Jiang, DJ Senor - Journal of Nuclear Materials, 2020 - Elsevier
Lithium aluminate has attracted researchers' interests due to its wide applications. The
structural, electronic, optical, lattice phonon thermodynamic, and thermo-conductive …

Tritium trapping by oxygen and lithium vacancies in Li4TiO4 from first-principles calculations

Z Lu, Y Shi, X Wang, R Chen, H Guo, J Qi, T Lu - Ceramics International, 2021 - Elsevier
Abstract The Li 4 TiO 4 ceramic is a promising solid-state tritium breeder material for the
production of tritium fuel in the designs of fusion reactors. Tritium extraction efficiency is one …

First-Principles Study of Tritium Trapping in γ-LiAlO2 Nanovoids

M Sassi, SR Spurgeon, BE Matthews… - The Journal of …, 2022 - ACS Publications
Production of radioactive tritium species is efficiently performed in nuclear reactors by
neutron irradiation of tritium producing burnable absorber rods (TPBARs). In TPBARs, the …

Density functional theory modeling of cation diffusion in tetragonal bulk : Effects of humidity and hydrogen defect complexes on cation transport

YL Lee, Y Duan, DC Sorescu, D Morgan… - Physical Review …, 2021 - APS
Density functional theory modeling was performed to determine the effect of humidity and H
2/O 2 gas pressure on the defect chemistry, hydrogen solubility and diffusivity, and on cation …

Study of Tritium Diffusivity in Pure and Sn-Defective Zr: A First-Principles Density Functional Theory Approach

HP Paudel, T Jia, WA Saidi, DJ Senor… - The Journal of …, 2023 - ACS Publications
Zirconium alloys (eg, zircaloy-4) are used as tritium (3H) getter materials in tritium-producing
burnable absorber rods (TPBARs) owing to their ability to capture 3H and chemically convert …

Tritium species diffusion on and desorption from γ-LiAlO2 (100) surface: A first-principles investigation

T Jia, DJ Senor, Y Duan - Journal of Nuclear Materials, 2020 - Elsevier
Abstract γ-LiAlO 2 enriched in the 6 Li isotope is a good candidate for tritium (T, 3 H)
production in nuclear reactor. To better understand its 3 H production performance, first …