scholarly journals Predicting point defect equilibria across oxide hetero-interfaces: model system of ZrO2/Cr2O3

2017 ◽  
Vol 19 (5) ◽  
pp. 3869-3883 ◽  
Author(s):  
Jing Yang ◽  
Mostafa Youssef ◽  
Bilge Yildiz
Keyword(s):  
Space Charge ◽  
Point Defect ◽  
Model System ◽  
Space Charge Layer ◽  
Scale Model ◽  
Charge Layer ◽  
Multi Scale ◽  
Defect Equilibria

We present a multi-scale model to predict defect redistribution both in interface core and space charge layer across oxide/oxide hetero-interfaces.

SPACE-CHARGE LAYER, INTRINSIC "BULK" AND SURFACE COMPLEX DEFECTS IN ZnO NANOPARTICLES — A HIGH-FIELD ELECTRON PARAMAGNETIC RESONANCE ANALYSIS

2013 ◽  
Vol 06 (04) ◽  
pp. 1330004 ◽  
Author(s):  
RÜDIGER-A. EICHEL ◽  
EMRE ERDEM ◽  
PETER JAKES ◽  
ANDREW OZAROWSKI ◽  
JOHAN VAN TOL ◽  
...  
Keyword(s):  
Electron Paramagnetic Resonance ◽  
Space Charge ◽  
Zno Nanoparticles ◽  
High Field ◽  
Space Charge Layer ◽  
Paramagnetic Resonance ◽  
Charge Layer ◽  
Type Formula ◽  
Field Electron ◽  
Electron Paramagnetic

The defect structure of ZnO nanoparticles is characterized by means of high-field electron paramagnetic resonance (EPR) spectroscopy. Different point and complex defects could be identified, located at the "bulk" or the surface region of the nanoparticles. In particular, by exploiting the enhanced g-value resolution at a Larmor frequency of 406.4 GHz, it could be shown that the resonance commonly observed at g = 1.96 is comprised of several overlapping resonances from different defects. Based on the high-field EPR analysis, the development of a space-charge layer could be monitored that consists of (shallow) donor-type [Formula: see text] defects at the "bulk" and acceptor-type [Formula: see text] and complex [Formula: see text] defects at the surface. Application of a core-shell model allows to determine the thickness of the depletion layer to 1.0 nm for the here studied compounds [J.J. Schneider et al., Chem. Mater.22, 2203 (2010)].

ACTIVATION ENERGY FOR HOLE INJECTION AND ANALYSIS OF THE SPACE CHARGE LAYER IN ANTHRACENE CRYSTALS

1974 ◽  
Vol 3 (12) ◽  
pp. 1459-1462
Author(s):  
Masahiro Kotani ◽  
Yoko Watanabe ◽  
Tomoko Kato
Keyword(s):  
Activation Energy ◽  
Space Charge ◽  
Space Charge Layer ◽  
Hole Injection ◽  
Charge Layer

Effect of the electric field in the space-charge layer on the efficiency of short-wave photoelectric conversion in GaAs Schottky diodes

1997 ◽  
Vol 31 (10) ◽  
pp. 1053-1056 ◽  
Author(s):  
T. V. Blank ◽  
Yu. A. Gol’dberg ◽  
O. V. Konstantinov ◽  
O. I. Obolenskii ◽  
E. A. Posse
Keyword(s):  
Electric Field ◽  
Space Charge ◽  
Schottky Diodes ◽  
Short Wave ◽  
Space Charge Layer ◽  
Photoelectric Conversion ◽  
Charge Layer

Reconstruction and electronic properties of β-Li3PS4 |Li2S interface

2021 ◽  
Author(s):  
Chengdong Wei ◽  
Hongtao Xue ◽  
Zhou Li ◽  
Fenning Zhao ◽  
Fuling Tang
Keyword(s):  
Space Charge ◽  
Solid Electrolyte ◽  
Lattice Structure ◽  
Real Space ◽  
Space Charge Layer ◽  
Interface Plane ◽  
Charge Layer ◽  
Charge Density Difference ◽  
Interface Charge ◽  
Interface Contact

Abstract The morphology and properties of the interface between solid electrolyte and electrode have important impacts on all-solid-state lithium-sulfur batteries’ performance. We used the first-principles calculations to explore the interface between Li2S cathode and β-Li3PS4 (lithium thiophosphate, LPS) solid electrolyte, including lattice structure, mechanical, electrical properties, interface contact type, and charge distribution in real space. It is found that the interface is significantly reconstructed, and the Li atoms at the interface move mainly parallel to the interface plane. The interface density states introduce metallic properties, mainly contributed by the Li-s and S-s, -p orbitals in Li2S and S-p orbitals in LPS. The highest occupied molecular orbitals of the LPS electrolyte are lower than the electrochemical potential (Fermi level) of the Li2S cathode, thus the electrolyte and cathode materials are reasonable and stable in thermodynamics. Interface density of states shows electrons on the interface do not penetrate from Li2S into LPS, and do not leak electrons to cause electron conduct in LPS. Besides, the interface is an n-type Schottky barrier with a barrier value of 1.0 eV. The work-function of the interface indicates that there is a space charge layer by the redistribution of electrons, which is in agreement with the result of interface charge density difference. The electron/hole pairs will be separate, realizing high current charge and discharge capability because of the space charge layer.

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