검색결과 : 17건
| No. | Article |
|---|---|
| 1 |
Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus ab Initio Methods Legrain F, Carrete J, van Roekeghem A, Madsen GKH, Mingo N Journal of Physical Chemistry B, 122(2), 625, 2018 |
| 2 |
Ti-decorated zigzag graphene nanoribbons for hydrogen storage. A van der Waals-corrected density-functional study Lebon A, Carrete J, Gallego LJ, Vega A International Journal of Hydrogen Energy, 40(14), 4960, 2015 |
| 3 |
Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study Carrete J, Mingo N, Wang SD, Curtarolo S Advanced Functional Materials, 24(47), 7427, 2014 |
| 4 |
Solvation of Lithium Salts in Protic Ionic Liquids: A Molecular Dynamics Study Mendez-Morales T, Carrete J, Cabeza O, Russina O, Triolo A, Gallego LJ, Varela LM Journal of Physical Chemistry B, 118(3), 761, 2014 |
| 5 |
Unexpected High-Temperature Stability of beta-Zn4Sb3 Opens the Door to Enhanced Thermoelectric Performance Lin JP, Li XD, Qiao GJ, Wang Z, Carrete J, Ren Y, Ma LZ, Fei YJ, Yang BF, Lei L, Li J Journal of the American Chemical Society, 136(4), 1497, 2014 |
| 6 |
Molecular hydrogen uptake by zigzag graphene nanoribbons doped with early 3d transition-metal atoms Lebon A, Carrete J, Longo RC, Vega A, Gallego LJ International Journal of Hydrogen Energy, 38(21), 8872, 2013 |
| 7 |
MD Simulations of the Formation of Stable Clusters in Mixtures of Alkaline Salts and Imidazolium-Based Ionic Liquids Mendez-Morales T, Carrete J, Bouzon-Capelo S, Perez-Rodriguez M, Cabeza O, Gallego LJ, Varela LM Journal of Physical Chemistry B, 117(11), 3207, 2013 |
| 8 |
Liquid-solid-liquid phase transition hysteresis loops in the ionic conductivity of ten imidazolium-based ionic liquids Vila J, Fernandez-Castro B, Rilo E, Carrete J, Dominguez-Perez M, Rodriguez JR, Garcia M, Varela LM, Cabeza O Fluid Phase Equilibria, 320, 1, 2012 |
| 9 |
Investigation of the Local Structure of Mixtures of an Ionic Liquid with Polar Molecular Species through Molecular Dynamics: Cluster Formation and Angular Distributions Carrete J, Mendez-Morales T, Cabeza O, Lynden-Bell RM, Gallego LJ, Varela LM Journal of Physical Chemistry B, 116(20), 5941, 2012 |
| 10 |
Effect of Temperature and Cationic Chain Length on the Physical Properties of Ammonium Nitrate-Based Protic Ionic Liquids Capelo SB, Mendez-Morales T, Carrete J, Lago EL, Vila J, Cabeza O, Rodriguez JR, Turmine M, Varela LM Journal of Physical Chemistry B, 116(36), 11302, 2012 |