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Jose J. Plata
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Charting the complete elastic properties of inorganic crystalline compounds
M De Jong, W Chen, T Angsten, A Jain, R Notestine, A Gamst, M Sluiter, ...
Scientific data 2 (1), 1-13, 2015
9922015
The AFLOW standard for high-throughput materials science calculations
CE Calderon, JJ Plata, C Toher, C Oses, O Levy, M Fornari, A Natan, ...
Computational Materials Science 108, 233-238, 2015
3042015
High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model
C Toher, JJ Plata, O Levy, M De Jong, M Asta, MB Nardelli, S Curtarolo
Physical Review B 90 (17), 174107, 2014
2822014
Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: The Case of CeO2 and Ce2O3
J Graciani, AM Marquez, JJ Plata, Y Ortega, NC Hernandez, A Meyer, ...
Journal of chemical theory and computation 7 (1), 56-65, 2011
1522011
A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: The case of the highly active metal/CeOx/TiO2 (110) catalysts
J Graciani, JJ Plata, JF Sanz, P Liu, JA Rodriguez
The Journal of chemical physics 132 (10), 2010
1172010
Electron mobility via polaron hopping in bulk ceria: a first-principles study
JJ Plata, AM Márquez, JF Sanz
The Journal of Physical Chemistry C 117 (28), 14502-14509, 2013
1042013
Nature of the mixed-oxide interface in ceria–titania catalysts: Clusters, chains, and nanoparticles
AC Johnston-Peck, SD Senanayake, JJ Plata, S Kundu, W Xu, L Barrio, ...
The Journal of Physical Chemistry C 117 (28), 14463-14471, 2013
992013
An efficient and accurate framework for calculating lattice thermal conductivity of solids: AFLOW—AAPL Automatic Anharmonic Phonon Library
JJ Plata, P Nath, D Usanmaz, J Carrete, C Toher, M de Jong, M Asta, ...
npj Computational Materials 3 (1), 45, 2017
842017
Combining the AFLOW GIBBS and elastic libraries to efficiently and robustly screen thermomechanical properties of solids
C Toher, C Oses, JJ Plata, D Hicks, F Rose, O Levy, M de Jong, M Asta, ...
Physical Review Materials 1 (1), 015401, 2017
762017
Communication: Improving the density functional theory+ U description of CeO2 by including the contribution of the O 2p electrons
JJ Plata, AM Márquez, JF Sanz
The Journal of Chemical Physics 136 (4), 2012
752012
High-throughput prediction of finite-temperature properties using the quasi-harmonic approximation
P Nath, JJ Plata, D Usanmaz, RAR Al Orabi, M Fornari, MB Nardelli, ...
Computational Materials Science 125, 82-91, 2016
642016
Cu Deposited on CeOx-Modified TiO2(110): Synergistic Effects at the Metal–Oxide Interface and the Mechanism of the WGS Reaction
JJ Plata, J Graciani, J Evans, JA Rodriguez, JF Sanz
ACS Catalysis 6 (7), 4608-4615, 2016
492016
Transport Properties in the CeO2–x(111) Surface: From Charge Distribution to Ion-Electron Collaborative Migration
JJ Plata, AM Márquez, JF Sanz
The Journal of Physical Chemistry C 117 (48), 25497-25503, 2013
492013
High throughput combinatorial method for fast and robust prediction of lattice thermal conductivity
P Nath, JJ Plata, D Usanmaz, C Toher, M Fornari, MB Nardelli, ...
Scripta Materialia 129, 88-93, 2017
462017
Structural, electronic and optical properties of copper, silver and gold sulfide: a DFT study
JA Suárez, JJ Plata, AM Márquez, JF Sanz
Theoretical Chemistry Accounts 135, 1-8, 2016
412016
Structural Defects in W-Doped TiO2 (101) Anatase Surface: Density Functional Study
AM Márquez, JJ Plata, Y Ortega, J Fdez. Sanz
The Journal of Physical Chemistry C 115 (34), 16970-16976, 2011
382011
Making Photo-selective TiO2 Materials by Cation–Anion Codoping: From Structure and Electronic Properties to Photoactivity
AM Márquez, JJ Plata, Y Ortega, JF Sanz, G Colón, A Kubacka, ...
The Journal of Physical Chemistry C 116 (35), 18759-18767, 2012
352012
Charting the Lattice Thermal Conductivities of I–III–VI2 Chalcopyrite Semiconductors
JJ Plata, V Posligua, AM Márquez, J Fernandez Sanz, R Grau-Crespo
Chemistry of Materials 34 (6), 2833-2841, 2022
342022
The AFLOW fleet for materials discovery
C Toher, C Oses, D Hicks, E Gossett, F Rose, P Nath, D Usanmaz, ...
Handbook of Materials Modeling: Methods: Theory and Modeling, 1785-1812, 2020
342020
Surface oxygen vacancies in gold based catalysts for CO oxidation
F Romero-Sarria, JJ Plata, OH Laguna, AM Márquez, MA Centeno, ...
RSC advances 4 (25), 13145-13152, 2014
302014
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