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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
9192015
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
2852015
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
2792014
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
1542011
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
1112010
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
972013
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
962013
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
822017
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
772012
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
752017
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
652016
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
472016
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
472013
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
422017
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
392016
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
332012
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
Charting the Lattice Thermal Conductivities of I–III–VI2 Chalcopyrite Semiconductors
JJ Plata, V Posligua, AM Marquez, J Fernandez Sanz, R Grau-Crespo
Chemistry of Materials 34 (6), 2833-2841, 2022
292022
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
282020
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