scholarly journals Nonstoichiometry and Li‐ion transport in lithium zirconate: The role of oxygen vacancies

2018 ◽  
Vol 101 (9) ◽  
pp. 4053-4065 ◽  
Author(s):  
Xiaowen Zhan ◽  
Yang‐Tse Cheng ◽  
Mona Shirpour
Keyword(s):  
Ion Transport ◽  
Oxygen Vacancies ◽  
Lithium Zirconate ◽  
Li Ion

Evaluation of NO-treated fossil carbons as possible anode materials for Li-ion batteries – role of prior activation

2007 ◽  
Vol 11 (1) ◽  
pp. 40-44
Author(s):  
M. Hofman ◽  
M. Walkowiak ◽  
L. Wachowski ◽  
B. Czajka ◽  
D. Waszak
Keyword(s):  
Anode Materials ◽  
Li Ion Batteries ◽  
Li Ion

scholarly journals Reorientational motion and Li+ -ion transport in Li2B12H12 system: Molecular dynamics study

2019 ◽  
Vol 3 (7) ◽  
Author(s):  
Kartik Sau ◽  
Tamio Ikeshoji ◽  
Sangryun Kim ◽  
Shigeyuki Takagi ◽  
Kazuto Akagi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ion Transport ◽  
Reorientational Motion ◽  
Li Ion

Balanced performance for β-Ga2O3 solar blind photodetectors: The role of oxygen vacancies

2021 ◽  
Vol 112 ◽  
pp. 110808
Author(s):  
Jiang Wang ◽  
Yuanqiang Xiong ◽  
Lijuan Ye ◽  
Wanjun Li ◽  
Guoping Qin ◽  
...  
Keyword(s):  
Oxygen Vacancies ◽  
Solar Blind

scholarly journals Defect Properties and Lithium Incorporation in Li2ZrO3

Energies ◽  
2021 ◽  
Vol 14 (13) ◽  
pp. 3963
Author(s):  
Kobiny Antony Rex ◽  
Poobalasuntharam Iyngaran ◽  
Navaratnarajah Kuganathan ◽  
Alexander Chroneos
Keyword(s):  
Atomistic Simulation ◽  
Density Functional ◽  
Functional Theory ◽  
Lithium Zirconate ◽  
Simulation Based ◽  
Electrochemical Devices ◽  
Li Ion ◽  
Cluster Energy ◽  
Experimental Values ◽  
Lithium Incorporation

Lithium zirconate is a candidate material in the design of electrochemical devices and tritium breeding blankets. Here we employ an atomistic simulation based on the classical pair-wise potentials to examine the defect energetics, diffusion of Li-ions, and solution of dopants. The Li-Frenkel is the lowest defect energy process. The Li-Zr anti-site defect cluster energy is slightly higher than the Li-Frenkel. The Li-ion diffuses along the c axis with an activation energy of 0.55 eV agreeing with experimental values. The most favorable isovalent dopants on the Li and Zr sites were Na and Ti respectively. The formation of additional Li in this material can be processed by doping of Ga on the Zr site. Incorporation of Li was studied using density functional theory simulation. Li incorporation is exoergic with respect to isolated gas phase Li. Furthermore, the semiconducting nature of LZO turns metallic upon Li incorporation.

Role of oxygen vacancies on ferromagnetism in Fe-doped TiO2 thin films

2007 ◽  
Vol 102 (7) ◽  
pp. 073905 ◽  
Author(s):  
H. J. Meng ◽  
D. L. Hou ◽  
L. Y. Jia ◽  
X. J. Ye ◽  
H. J. Zhou ◽  
...  
Keyword(s):  
Thin Films ◽  
Oxygen Vacancies ◽  
Tio2 Thin Films ◽  
Doped Tio2
Sign in / Sign up

Export Citation Format

Share Document