ShengBTE: A solver of the Boltzmann transport equation for phonons W Li, J Carrete, NA Katcho, N Mingo
Computer Physics Communications 185 (6), 1747-1758, 2014
2514 2014 Thermal conductivity of diamond nanowires from first principles W Li, N Mingo, L Lindsay, DA Broido, DA Stewart, NA Katcho
Physical Review B—Condensed Matter and Materials Physics 85 (19), 195436, 2012
440 2012 Dual Substitution Strategy to Enhance Li+ Ionic Conductivity in Li7 La3 Zr2 O12 Solid Electrolyte L Buannic, B Orayech, JM Lopez Del Amo, J Carrasco, NA Katcho, ...
Chemistry of materials 29 (4), 1769-1778, 2017
234 2017 Origins of Bistability and Na Ion Mobility Difference in P2‐ and O3‐Na2/3 Fe2/3 Mn1/3 O2 Cathode Polymorphs NA Katcho, J Carrasco, D Saurel, E Gonzalo, M Han, F Aguesse, T Rojo
Advanced Energy Materials 7 (1), 1601477, 2017
142 2017 Role of Surface-Segregation-Driven Intermixing on the Thermal Transport through <?format ?>Planar P Chen, NA Katcho, JP Feser, W Li, M Glaser, OG Schmidt, DG Cahill, ...
Physical review letters 111 (11), 115901, 2013
126 2013 Effect of nitrogen and vacancy defects on the thermal conductivity of diamond: An ab initio Green's function approach NA Katcho, J Carrete, W Li, N Mingo
Physical Review B 90 (9), 094117, 2014
120 2014 Crystallographic Control at the Nanoscale To Enhance Functionality: Polytypic Cu2 GeSe3 Nanoparticles as Thermoelectric Materials M Ibanez, R Zamani, W Li, D Cadavid, S Gorsse, NA Katcho, A Shavel, ...
Chemistry of Materials 24 (23), 4615-4622, 2012
97 2012 Ab initio study of the effect of vacancies on the thermal conductivity of boron arsenideNH Protik, J Carrete, NA Katcho, N Mingo, D Broido
Physical Review B 94 (4), 045207, 2016
88 2016 Carbon hollow nanospheres from chlorination of ferrocene NA Katcho, E Urones-Garrote, D Ávila-Brande, A Gómez-Herrero, ...
Chemistry of materials 19 (9), 2304-2309, 2007
71 2007 Synthesis and characterization of Mg 2 Si/Si nanocomposites prepared from MgH 2 and silicon, and their thermoelectric properties T Yi, S Chen, S Li, H Yang, S Bux, Z Bian, NA Katcho, A Shakouri, ...
Journal of Materials Chemistry 22 (47), 24805-24813, 2012
70 2012 Unraveling the role of Ti in the stability of positive layered oxide electrodes for rechargeable Na-ion batteries M Zarrabeitia, E Gonzalo, M Pasqualini, M Ciambezi, O Lakuntza, F Nobili, ...
Journal of Materials Chemistry A 7 (23), 14169-14179, 2019
60 2019 An investigation of the structural properties of Li and Na fast ion conductors using high-throughput bond-valence calculations and machine learning NA Katcho, J Carrete, M Reynaud, G Rousse, M Casas-Cabanas, ...
Journal of Applied Crystallography 52 (1), 148-157, 2019
57 2019 First-Principles Study of Sodium Intercalation in Crystalline Nax 24 (0 ≤ x ≤ 4) as Anode Material for Na-ion Batteries U Arrieta, NA Katcho, O Arcelus, J Carrasco
Scientific Reports 7 (1), 5350, 2017
54 2017 Disjoining pressure and the film-height-dependent surface tension of thin liquid films: New insight from capillary wave fluctuations LG MacDowell, J Benet, NA Katcho, JMG Palanco
Advances in colloid and interface science 206, 150-171, 2014
51 2014 Lattice thermal conductivity of (Bi NA Katcho, N Mingo, DA Broido
Physical Review B—Condensed Matter and Materials Physics 85 (11), 115208, 2012
40 2012 Sodium vanadium nitridophosphate Na3V (PO3) 3N as a high-voltage positive electrode material for Na-ion and Li-ion batteries M Reynaud, A Wizner, NA Katcho, LC Loaiza, M Galceran, J Carrasco, ...
Electrochemistry Communications 84, 14-18, 2017
38 2017 Multiwavelength anomalous diffraction and diffraction anomalous fine structure to study composition and strain of semiconductor nanostructures: MAD and DAFS for studying … V Favre-Nicolin, MG Proietti, C Leclere, NA Katcho, MI Richard, ...
The European Physical Journal Special Topics 208, 189-216, 2012
35 2012 Capillary Fluctuations and Film-Height-Dependent Surface Tension of<? format?> an Adsorbed Liquid Film LG MacDowell, J Benet, NA Katcho
Physical Review Letters 111 (4), 047802, 2013
34 2013 Unveiling the electrochemical mechanisms of Li 2 Fe (SO 4) 2 polymorphs by neutron diffraction and density functional theory calculations L Lander, M Reynaud, J Carrasco, NA Katcho, C Bellin, A Polian, ...
Physical Chemistry Chemical Physics 18 (21), 14509-14519, 2016
27 2016 Semi-infinite boundary conditions for the simulation of interfaces: The Ar/CO2 (s) model revisited R de Gregorio, J Benet, NA Katcho, FJ Blas, LG MacDowell
The Journal of Chemical Physics 136 (10), 2012
26 2012 