Javier Carrasco

Ikerbasque Research Professor, CIC energiGUNE

Ikerbasque Research Professor at CIC energiGUNE

Research line:

Modelling and computational simulations of functional materials for energy

Alexander von Humbold Fellow (2007), Newton International Fellow (2009), Ramón y Cajal Fellow (2011), and Marie Curie Career Integration Grant (2012)

Previous research experience in Germany (Fritz Haber Institute of the Max Planck Society), UK (University College London), and Spain (Institute of Catalysis and Petrochemistry, CSIC).

Doctor in Chemistry (2006) from the University of Barcelona

Publications
Courses Given

2024

Article / Graphene-Based Sulfur Cathodes and Dual Salt-Based Sparingly Solvating Electrolytes: A Perfect Marriage for High Performing, Safe, and Long Cycle Life Lithium-Sulfur Prototype Batteries

Advanced Energy Materials

Castillo, J.; Soria-Fernández, A.; Rodriguez-Peña, S.; Rikarte, J.; Robles-Fernández, A.; Aldalur, I.; Cid, R.; González-Marcos, J.A.; Carrasco, J.; Armand, M.; Santiago, A.; Carriazo, D.

Article / Biomimetic nucleotide-graphene hybrids for electrocatalytic oxygen conversion: Quantifying biomolecule mass loading

Sustainable Materials and Technologies

Letona-Elizburu, A.; Enterría, M.; Aziz, A.; Villar-Rodil, S.; Paredes, J.I.; Carrasco, J.; Ortiz-Vitoriano, N.

Article / A data-mining approach to understanding the impact of multi-doping on the ionic transport mechanism of solid electrolytes materials: the case of dual-doped Ga0.15/Scy Li7La3Zr2O12

Journal of Materials Chemistry A

Cortés, H.A.; Bonilla, M.R.; Früchtl, H.; van Mourik, T.; Carrasco, J.; Akhmatskaya, E.

Article / Two-Step Growth Mechanism of the Solid Electrolyte Interphase in Argyrodyte/Li-Metal Contacts

ACS Applied Materials and Interfaces

Chaney, G.; Golov, A.; van Roekeghem, A.; Carrasco, J.; Mingo, N.

Article / Elucidating the Electrochemical Properties of LiFe0.5Mn1.5O4 as a High-Voltage, Low-Cost Material

Journal of Physical Chemistry C

Monterrubio, I.; Lakuntza, O.; Casas-Cabanas, M.; Reynaud, M.; Carrasco, J.; Saracibar, A.

Article / Enhancing composite cathode manufacturing with machine learning for polymer electrolyte solid-state batteries

Journal of Power Sources

Gallo-Bueno, A.; Hanifah, R.A.N.; Fernandez-Diaz, L.; Otaegui, L.; Villaverde, A.; Morant-Miñana, M.C.; Carrasco, J.

Article / A theoretical perspective on solid-state ionic interfaces

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Carrasco, J.

Article / Materials Acceleration Platforms (MAPs) Accelerating Materials Research and Development to Meet Urgent Societal Challenges

Advanced Materials

Stier, S.P.; Kreisbeck, C.; Ihssen, H.; Popp, M.A.; Hauch, J.; Malek, K.; Reynaud, M.; Goumans, T.P.M.; Carlsson, J.; Todorov, I.; Gold, L.; Räder, A.; Wenzel, W.; Bandesha, S.T.; Jacques, P.; Garcia-Moreno, F.; Arcelus, O.; Friederich, P.; Clark, S.; Maglione, M.; Laukkanen, A.; Castelli, I.E.; Carrasco, J.; Cabanas, M.C.; Stein, H.S.; Ozcan, O.; Elbert, D.; Reuter, K.; Scheurer, C.; Demura, M.; Han, S.S.; Vegge, T.; Nakamae, S.; Fabrizio, M.; Kozdras, M.

Article / Advanced methods for characterizing battery interfaces: Towards a comprehensive understanding of interfacial evolution in modern batteries

Energy Storage Materials

Temprano, I.; Carrasco, J.; Bugnet, M.; Lucas, I.T.; Zhou, J.; Weatherup, R.S.; O'Keefe, C.A.; Ruff, Z.; Xu, J.; Folastre, N.; Wang, J.; Gajan, A.; Demortière, A.

Article / Probing Phase Formation and Structural Transformations in Sodium Extraction and Insertion of NaFe1-yMnyPO4 through First-Principles Calculations

Inorganic Chemistry

Ismail, M.; Lakuntza, O.; Carrasco, J.; Saurel, D.; Casas-Cabanas, M.; Reynaud, M.; Saracibar, A.

Article / Interface Stability and Reaction Mechanisms of Li3YCl5Br with High-Voltage Cathodes and Li Metal Anode: Insights from Ab Initio Simulations

ACS Applied Materials and Interfaces

Golov, A.; Lian, J.X.; Carrasco, J.

Article / FullProfAPP: a graphical user interface for the streamlined automation of powder diffraction data analysis

Journal of Applied Crystallography

Arcelus, O.; Rodríguez-Carvajal, J.; Katcho, N.A.; Reynaud, M.; Black, A.P.; Chatzogiannakis, D.; Frontera, C.; Serrano-Sevillano, J.; Ismail, M.; Carrasco, J.; Fauth, F.; Palacin, M.R.; Casas-Cabanas, M.

Review / A critical look at efficient parameter estimation methodologies of electrochemical models for Lithium-Ion cells

Journal of Energy Storage

C. Rojas, L. Oca, I. Lopetegi, Iraola, J. Carrasco

Review / A critical look at efficient parameter estimation methodologies of electrochemical models for Lithium-Ion cells

Journal of Energy Storage

Rojas, C.; Oca, L.; Lopetegi, I.; Iraola, U.; Carrasco, J.

2023

Article / Graphene-Based Sulfur Cathodes and Dual Salt-Based Sparingly Solvating Electrolytes: A Perfect Marriage for High Performing, Safe, and Long Cycle Life Lithium-Sulfur Prototype Batteries

Advanced Energy Materials

Julen Castillo, Asier Soria-Fernández, Sergio Rodriguez-Peña, Jokin Rikarte, Adrián Robles-Fernández, Itziar Aldalur, Rosalía Cid, Jose Antonio González-Marcos, Javier Carrasco, Michel Armand, Alexander Santiago, Daniel Carriazo

Article / Unveiling Solid Electrolyte Interphase Formation at the Molecular Level: Computational Insights into Bare Li-Metal Anode and Li6PS5−xSexCl Argyrodite Solid Electrolyte

ACS Energy Letters

Andrey Golov, Javier Carrasco

Article / Synergistic theoretical and experimental study on the ion dynamics of bis(trifluoromethanesulfonyl)imide-based alkali metal salts for solid polymer electrolytes

Physical Chemistry Chemical Physics

Brigette Althea Fortuin, Jon Otegi, Juan Miguel López del Amo, Sergio Rodriguez Peña, Leire Meabe, Hegoi Manzano, María Martínez-Ibañez, Javier Carrasco

Article / Crystal structure and cation-anion interactions of potassium (Difluoromethanesulfonyl) (trifluorome thanesulfonyl)imide

Frontiers in Chemistry

Eduardo Sánchez-Diez, Lorena Garcia, Oier Arcelus, Lixin Qiao, Leire San Felices, Javier Carrasco, Michel Armand, Maria Martínez-Ibañez, Heng Zhang

Article / Anion Trapping and Ionic Conductivity Enhancement in PEO-Based Composite Polymer−Li7La3Zr2O12 Electrolytes: The Role of the Garnet Li Molar Content

Macromolecules

Henry A. Cortés, Mauricio R. Bonilla, Ernesto E. Marinero, Javier Carrasco, Elena Akhmatskaya

Article / Anion Trapping and Ionic Conductivity Enhancement in PEO-Based Composite Polymer-Li7La3Zr2O12 Electrolytes: The Role of the Garnet Li Molar Content

Macromolecules

Cortés, H.A.; Bonilla, M.R.; Marinero, E.E.; Carrasco, J.; Akhmatskaya, E.

Article / Synergistic theoretical and experimental study on the ion dynamics of bis(trifluoromethanesulfonyl)imide-based alkali metal salts for solid polymer electrolytes

Physical Chemistry Chemical Physics

Fortuin, B.A.; Otegi, J.; López del Amo, J.M.; Peña, S.R.; Meabe, L.; Manzano, H.; Martínez-Ibañez, M.; Carrasco, J.

Article / Unveiling Solid Electrolyte Interphase Formation at the Molecular Level: Computational Insights into Bare Li-Metal Anode and Li6PS5-xSexCl Argyrodite Solid Electrolyte

ACS Energy Letters

Golov, A.; Carrasco, J.

Article / Crystal structure and cation-anion interactions of potassium (Difluoromethanesulfonyl) (trifluorome thanesulfonyl)imide

Frontiers in Chemistry

Sánchez-Diez, E.; Garcia, L.; Arcelus, O.; Qiao, L.; San Felices, L.; Carrasco, J.; Armand, M.; Martínez-Ibañez, M.; Zhang, H.

2023

Since 2020, I teach Theoretical Chemistry methods at the University of the Basque Country, within the M.Sc. Electrochemical Energy Storage course of the Erasmus Mundus Master in Materials for Storage and Conversion (https://mesc-plus.eu/). I am also involved in some of the Educational and Training activities within the DESTINY European Doctorate Programme (https://www.destiny-phd.eu/about-destiny).