Electronic Structure and Properties of CePO4 (original) (raw)
Structure and electronic properties of cerium orthophosphate: Theory and experiment
Lutgard De Jonghe
Physical Review B, 2011
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Vacuum ultraviolet spectroscopic analysis of Ce3+-doped hexagonal YPO4·0.8H2O based on exchange charge model
Chong-Geng Ma, Alexander Vanetsev
Journal of Luminescence, 2014
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Electronic structure of semiconducting CeFe4P12: Strong hybridization and relevance of single-impurity Anderson model
Makina Yabashi
Physical Review B, 2008
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Identification of the Charge Carriers in Cerium Phosphate Ceramics
Lutgard Dejonghe
ECS Transactions, 2019
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Electronic excitation spectra of cerium oxides: from ab initio dielectric response functions to Monte Carlo charge transport simulations
Maurizio Dapor
2021
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Local Electronic and Atomic Structure of Ce3+-Containing Fluoride/Oxide Determined by TEM-EELS and First-Principles Calculations
Shun Muto
MATERIALS TRANSACTIONS, 2009
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Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: The Case of CeO 2 and Ce 2 O 3
Jose Plata
Journal of Chemical Theory and Computation, 2011
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The electronic properties of Ce in CeFe4P12
Mark Allen Antonio
Journal of Alloys and Compounds, 1994
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Density functional theory calculations on microscopic aspects of oxygen diffusion in ceria-based materials
Christine Frayret
International Journal of Quantum Chemistry, 2005
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Calculation of the 4f1→4f05d1 transitions in Ce3+-doped systems by Ligand Field Density Functional Theory
Werner Urland, Claude Daul, Fanica Cimpoesu
Chemical Physics Letters, 2013
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Ab Initio Studies on Structural, Mechanical, Electronic, Magnetic, and Thermoelectric Transport Properties of CeCo4P12
Priya Yadav
physica status solidi (b), 2018
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Analysis of Charge Transport in Ce 0.8 Gd 0.2-x Pr x O 2-δ at T ≤ 600°C
Aditya Maheshwari
Journal of The Electrochemical Society
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Designing and Synthesis of (Cd2+, Li+), Cr3+, Bi3+ Doped CePO4 Materials Optical, Electrochemical, Ionic Conductivity Analysis
Hassouna Dhaouadi
2020
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Structural and electrical properties of nanostructured cerium phosphate
Adel Madani
Ionics, 2013
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Properties of Cerium Hydroxides from Matrix Infrared Spectra and Electronic Structure Calculations
Sahan Thanthiriwatte
Inorganic chemistry, 2016
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Electronic excitation spectra of cerium oxides: from ab initio dielectric response functions to Monte Carlo electron transport simulations
Paolo Emilio Trevisanutto
Physical Chemistry Chemical Physics
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Structural changes of Ce?Pr?O oxides in hydrogen: a study by in situ X-ray diffraction and Raman spectroscopy
Sylvie Rossignol, Daniel Duprez
Journal of Materials Chemistry, 2003
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Ordering of oxygen vacancies and excess charge localization in bulk ceria: ADFT+Ustudy
A. Llois
Physical Review B, 2014
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Ordering of oxygen vacancies and excess charge localization in bulk ceria: A DFT+U study
G. Murgida
Physical Review B, 2014
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Stabilizing fluorite structure in ceria-based high-entropy oxides: Influence of Mo addition on crystal structure and transport properties
Katarzyna Berent
Journal of the European Ceramic Society, 2020
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Proton conductors of cerium pyrophosphate for intermediate temperature fuel cell
Minh Hưng Lê
Electrochimica Acta, 2011
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Effect of water vapor on proton conduction of cesium dihydrogen phosphateand application to intermediate temperature fuel cells
Junichiro Otomo
Journal of Applied Electrochemistry, 2005
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Electronic structure studies of the oxyphosphate Cu 0.5 TiOPO 4
Amine Harbi, SAID LOUIHI
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Comment on “Oxygen Vacancy Ordering and Electron Localization in CeO2: Hybrid Functional Study”
Valeria Ferrari
The Journal of Physical Chemistry C
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A Density Functional Theory Investigation of the Reaction of Water with Ce2O
Hrant Hratchian
2020
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Photoemission study of carriers and Ce 4f spectral weight in CeTe 2
S. Suga
Journal of Physics: Condensed Matter, 2004
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Communication: Improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons
Jose Plata
The Journal of Chemical Physics, 2012
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Charge localization increases chemical expansion in cerium-based oxides.
Dario Marrocchelli
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Structure independent proton transport in cerium(III) phosphate nanowires
Krisztina László
ACS applied materials & interfaces, 2015
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