scholarly journals Ionic conduction mechanisms of apatite-type lanthanum silicate and germanate from first principles

2017 ◽  
Vol 125 (9) ◽  
pp. 670-676
Author(s):  
Katsuyuki MATSUNAGA
Keyword(s):  
First Principles ◽  
Ionic Conduction ◽  
Conduction Mechanisms ◽  
Lanthanum Silicate ◽  
Apatite Type

scholarly journals Defect chemistry in layered transition-metal oxides from screened hybrid density functional calculations

2014 ◽  
Vol 2 (15) ◽  
pp. 5224-5235 ◽  
Author(s):  
Khang Hoang ◽  
Michelle D. Johannes
Keyword(s):  
Point Defects ◽  
Transition Metal Oxides ◽  
First Principles ◽  
Density Functional ◽  
Ionic Conduction ◽  
Controlled Synthesis ◽  
Conduction Mechanisms ◽  
Layered Transition Metal ◽  
Hybrid Density Functional ◽  
Shed Light

First-principles studies of the thermodynamics and transport of intrinsic point defects provide guidelines for defect-controlled synthesis and shed light on the electronic and ionic conduction mechanisms in LiCoO2 and LiNiO2.

Low-temperature sintering of dense lanthanum silicate electrolytes with apatite-type structure using an organic precipitant synthesized nanopowder

2009 ◽  
Vol 24 (1) ◽  
pp. 237-244 ◽  
Author(s):  
Seung Hwan Jo ◽  
P. Muralidharan ◽  
Do Kyung Kim
Keyword(s):  
Electron Microscopy ◽  
Low Temperature ◽  
Type Structure ◽  
Degree Of Crystallinity ◽  
Polished Surface ◽  
Synthetic Approach ◽  
Low Temperature Sintering ◽  
Lanthanum Silicate ◽  
Microscopy Images ◽  
Apatite Type

Highly sinterable La10Si6O27 and La10Si5.5M0.5O27 (M = Mg, and Al) nanopowders with apatite-type structure have been synthesized via a homogeneous precipitation method using diethylamine (DEA) as a precipitant. The synthetic approach using an organic precipitant with dispersant characteristics is advantageous in configuring weakly agglomerated nanopowders, leading to desirable sintering activity. X-ray diffraction powder patterns confirmed the single-phase crystalline lanthanum silicate of hexagonal apatite structure at 800 °C, which is a relatively lower calcination temperature compared to conventionally prepared samples. Transmission electron microscopy images revealed particles ∼30 nm in size with a high degree of crystallinity. A dense grain morphology was recognized from the scanning electron microscopy images of the polished surface of the pellets that were sintered at 1400 and 1500 °C for 10 h. This low-temperature sintering is significant because conventional powder processing requires a temperature above 1700 °C to obtain the same dense electrolyte. The doped-lanthanum silicate electrolyte prepared by the DEA process and sintered at 1500 °C for 10 h exhibited electrical conductivity comparable with samples prepared at much higher sintering temperature (>1700 °C).

scholarly journals First-principles investigation of polarization and ion conduction mechanisms in hydroxyapatite

2018 ◽  
Vol 20 (13) ◽  
pp. 8744-8752 ◽  
Author(s):  
Shusuke Kasamatsu ◽  
Osamu Sugino
Keyword(s):  
First Principles ◽  
Ion Conduction ◽  
Ion Migration ◽  
Conduction Mechanisms

Competing and cooperating polarization and ion migration mechanisms in hydroxyapatite are visualized and analyzed using first-principles simulation.

Fabrication and ionic conductivity of oriented lanthanum silicate films with apatite-type structure

2016 ◽  
Vol 293 ◽  
pp. 51-55 ◽  
Author(s):  
Mitsumasa Sakao ◽  
Tsuguo Ishihara ◽  
Hideki Yoshioka
Keyword(s):  
Ionic Conductivity ◽  
Type Structure ◽  
Lanthanum Silicate ◽  
Apatite Type
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