Postdoc Researcher

Email: j.vicent.luna@tue.nl

José Manuel Vicent Luna obtained his degree in physics in the University of Córdoba (Spain) and his master degree in Science and Technology of Colloids and Interphases in the University Pablo de Olavide, Seville (Spain). In 2018 and in the same institution, he obtained his Ph.D degree in molecular simulation of ionic liquids and porous materials for energy-related applications. Until the beginning of 2019, he worked as post-doc researcher in same group when he obtained a fellowship to carry out a five months post-doctoral research stay in the Faculdade de Engenharia da Universidade do Porto, Laboratory of Separation and Reaction Engineering (Portugal).

Vicent joined our group in September 2019 and his work focuses on the study of perovskites solar cells via classical Molecular Dynamics (MD) and Density Functional based Tight Binding (DFTB) methods.

Selected Publications: # equal contribution, * corresponding author  

  1. N. López-Salas, J. M. Vicent-Luna, E. Posada, S. Imberti, R. M. Madero-Castro, S. Calero, C. O. Ania, R. J. Jiménez-Rioboó, M. C. Gutiérrez, M. L. Ferrer, F. del Monte, Further Extending the Dilution Range of the “solvent-in-DES” Regime upon the Replacement of Water by an Organic Solvent with Hydrogen Bond Capabilities. ACS Sustainable Chem. Eng., 8 (12120-12131), 2020. //doi.org/10.1021/acssuschemeng.0c03516
  2. S. R. G. Balestra#,   J. M. Vicent-Luna#,   S. Calero,   S. Tao  and  J. A. Anta, Efficient Modelling of Ion Structure and Dynamics in Inorganic Metal Halide Perovskites. J. Mater. Chem. A, 8, 11824-11836 (2020). //doi.org/10.1039/D0TA03200J
  3. C. González-Galán, A. Luna-Triguero, J. M. Vicent-Luna,* A. P. Zaderenko, A. Sławek, R. Sánchez-de-Armas, S. Calero, S.* Exploiting the π-bonding for the Separation of Benzene and Cyclohexane in Zeolites. Chem. Eng. J., 398 (125678), 2020. //doi.org/10.1016/j.cej.2020.125678
  4. A. Luna-Triguero, J. M. Vicent-Luna, T. M. Jansman, G. Zafeiropoulos, M. N. Tsampas, M. C. M. van de Sanden, H. N. Akse, S. Calero, Enhancing Separation Efficiency in European Syngas Industry by Using Zeolites. Catal. Today, xxx (xxxxx-xxxxx), 2020. //doi.org/10.1016/j.cattod.2020.03.061
  5. X. Peng,# J. M. Vicent-Luna,# Q. Jin. Separation of CF4/N2, C2F6/N2, and SF6/N2 Mixtures in Amorphous Activated Carbons using Molecular Simulations. ACS Appl. Mater. Interfaces, 12 (20044-20055), 2020. //doi.org/10.1021/acsami.0c01043
  6. I. Matito-Martos, A. Martín-Calvo, J. B. Parra, C. Ania, J. M. Vicent-Luna,* S. Calero,* Role of Hydrogen Bonding in the Capture and Storage of Ammonia in Zeolites. Chem. Eng. J., 387 (124062), 2020. //doi.org/10.1016/j.cej.2020.124062
  7. X. Peng,# J. M. Vicent-Luna,# S. Jain, Q. Jin, J. K. Singh, Computational Study of the Effect of Functional Groups on Water Adsorption in Mesoporous Carbons: Implications for Gas Adsorption. ACS Appl. Nano. Mater., 2 (7103-7113), 2019. //doi.org/10.1021/acsanm.9b01633  
  8. N. López-Salas,# J. M. Vicent-Luna,# S. Imberti, E. Posada, M. J. Roldán, J. A. Anta, S. R. G. Balestra, R. M. Madero-Castro, S. Calero, R. J. Jiménez-Rioboó, M. C. Gutiérrez, M. L. Ferrer, F. del Monte, Looking at the “Water-in-Deep-Eutectic-Solvent” System: A dilution Range for High Performance Eutectics. ACS Sustainable Chem. Eng., 7 (17565-17573), 2019. //doi.org/10.1021/acssuschemeng.9b05096
  9. R. M. Madero-Castro, J. M. Vicent-Luna,* S. Calero,* Adsorption of Light Alcohols in a High Hydrophobic Metal Azolate Framework. J. Phys. Chem. C, 123 (23987-23994), 2019. //doi.org/10.1021/acs.jpcc.9b05508
  10. A. Luna-Triguero, A. Slawek, R. Sánchez-de-Armas, J. J. Gutiérrez-Sevillano, C. O. Ania, J. B. Parra, J. M. Vicent-Luna*, and S. Calero*, π-Complexation for Olefin/Paraffin Separation using Aluminosilicates. Chem. Eng. J, 380, 122482, 2019. //doi.org/10.1016/j.cej.2019.122482
  11. A. Luna-Triguero#, J. M. Vicent-Luna#, R. M. Madero-Castro, P. Gómez-Álvarez, and S. Calero, Acetylene Storage and Separation using Metal-Organic Frameworks with Open Metal Sites. ACS Appl. Mater. Interfaces, 11, 31499-31507, 2019. //doi.org/10.1021/acsami.9b09010
  12. A. Luna-Triguero, A. Slawek, H. Huinink, T. J. H. Vlugt, A. Poursaeidesfahani, J. M. Vicent-Luna*, and S. Calero*, Enhancing the Water Capacity in Zr-based Metal-Organic Framework for Heat Pump and Atmospheric Water Generator Applications. ACS Appl. Nano. Mater., 2, 3050-3059, 2019. //doi.org/10.1021/acsanm.9b00416
  13. J. M. Vicent-Luna, J. J. Gutiérrez-Sevillano, S. Hamad, J. A. Anta, and S Calero, Role of Ionic Liquid [EMIM]+[SCN] in the Adsorption and Diffusion of Gases in Metal-Organic Frameworks. ACS Appl. Mater. Interfaces, 10, 29694-29704, 2018. //doi.org/10.1021/acsami.8b11842
  14. A. Sławek#, J. M. Vicent-Luna#, B.  Marszałek, B. Gil, R. E. Morris, W. Makowski, and S. Calero, Gate-Opening Mechanism of Hydrophilic-Hydrophobic Metal-Organic Frameworks: Molecular Simulations and Quasi-Equilibrated Desorption. Chem. Mater., 30, 5116-5127, 2018. //doi.org/10.1021/acs.chemmater.8b01603
  15. A. Luna-Triguero#, J. M. Vicent-Luna#, A. Poursaeidesfahani, T. J. H. Vlugt, R. Sánchez-de-Armas, P. Gómez-Álvarez, and S. Calero, Improving Olefin Purification using Metal Organic Frameworks with Open Metal Sites. ACS Appl. Mater. Interfaces, 10, 16911-16917, 2018. //doi.org/10.1021/acsami.8b04106
  16. A. Luna-Triguero, J. M. Vicent-Luna*, and S. Calero*, Phase Transition Induced by Gas Adsorption in Metal‐Organic Frameworks. Chem. Eur. J., 24, 8530-8534, 2018. //doi.org/10.1002/chem.201801157
  17. J. M. Vicent-Luna, J. M.; E. Azaceta, S. Hamad, J. M Ortiz-Roldan, R. Tena-Zaera, S. Calero, and J. A. Anta, Molecular Dynamics Analysis of Charge Transport in Ionic-Liquid Electrolytes Containing Added Salt with Mono, Di, and Trivalent Metal Cations. ChemPhysChem, 19, 1665-1673, 2018. //doi.org/10.1002/cphc.201701326
  18. J. M. Vicent-Luna, J. M. Romero-Enrique, S Calero, and J. A. Anta, Micelle Formation in Aqueous Solutions of Room Temperature Ionic Liquids: A Molecular Dynamics Study. J. Phys. Chem. B, 121, 8348-8358, 2017. //doi.org/10.1021/acs.jpcb.7b05552 
  19. J. M. Vicent-Luna#, A. Luna-Triguero#, and S. Calero, Storage and Separation of Carbon Dioxide and Methane in Hydrated Covalent Organic Frameworks. J. Phys. Chem. C, 120, 23756-23762, 2016. //doi.org/10.1021/acs.jpcc.6b05233

For full list of publications, please visit //jmviclun.github.io/