Contact Details:
Euskal Herriko Unibertsitatea – University of the Basque Country (EHU/UPV) &
Donostia International Physics Center (DIPC), Donostia, Euskal Herria
Phone: +34-943-015353
E-mail: elisa.jimenez@ehu.es
List of Publications:
36. Andoni Ugartemendia, Irene Casademont-Reig, Lili Zhao, Zuxian Zhang, Gernot Frenking, Jesus M. Ugalde, Aran Garcia-Lekue, Elisa Jimenez-Izal. Deciphering the chemical bond of trivalent oxygen atom in oxygen doped graphene. Chem. Sci. 15, 6151-6159 (2024).
35. Xuban Gastearena, Jesus M. Ugalde, Eider San Sebastian, Elisa Jimenez-Izal. Unveiling the electronic origin of lanthanide based chiral 3D Metal Organic Framework with ideal spin filtering capacity. Phys. Comm. Accepted (2024).
34. Silvia Escayola, Elisa Jimenez-Izal, Jesus M. Ugalde, Eduard Matito, Rafael Grande-Aztatzi, Jose M. Mercero. Unveiling the Quantum Secrets of Triel Metal Triangles: A Tale of Stability, Aromaticity, and Relativistic Effects. Phys. Chem. Chem. Phys. 26, 12619-12627 (2024).
33. Andoni Ugartemendia, Jose M. Mercero, Elisa Jimenez-Izal, Abel de Cozar. Doping effects on ethane/ethylene dehydrogenation catalyzed by Pt2X nanoclusters. ChemPhysChem. Accepted (2024).
32. Andoni Ugartemendia, Jose M. Mercero, Abel de Cózar, Marco M. Melander, Jaakko Akola, Elisa Jimenez-Izal. Deposited PtGe clusters as active and durable catalysts for CO oxidation. ChemCatChem 16, e202301137-e202301149 (2024).
31. Patricia Poths, Borna Zandkarimi, Anastassia N. Alexandrova, Elisa Jimenez-Izal. Pt:Ge ratio as a lever of activity and selectivity control of supported PtGe clusters in thermal dehydrogenation. ChemCatChem15, e202201533-e202201542 (2023).
30. Andoni Ugartemendia, Aran Garcia-Lekue, Elisa Jimenez-Izal. Tailoring magnetism in silicon-doped zigzag graphene edges. Sci. Rep. 12, 13032-13038 (2022).
29. Karina G. Madrigal-Carrillo, Juan I. Rodríguez, Martha L. Hernández-Pichardo, Elisa Jimenez-Izal. Unraveling the effects of Fe and Mn promoters on the tungstated zirconia catalyst: A DFT study. Appl. Surf. Sci. 599, 154052-154058 (2022).
28. Andrea Rogolino, Nathalie Claes, Judit Cizaurre, Aimar Marauri, Alba Jumbo, Zuzanna Lawera, Joscha Kruse, Marı́a Sanromán-Iglesias, Ibai Zarketa, Unai Calvo, Elisa Jimenez-Izal, Yury P. Rakovich, Sara Bals, Jon M. Matxain, Marek Grzelczak. Metal-polymer heterojunction in colloidal-phase plasmonic catalysis. J. Phys. Chem. Lett. 13, 2264-2272 (2022).
27. Andoni Ugartemendia, Jose M. Mercero, Abel de Cózar, Elisa Jimenez-Izal. Does the Composition in PtGe Clusters Play any Role in Fighting CO Poisoning? J. Chem. Phys. 156, 174301-174311 (2022).
26. Andoni Ugartemendia, Kristien Peeters, Piero Ferrari, Abel de Cózar, Jose M. Mercero, Ewald Janssens, Elisa Jimenez-Izal. Doping platinum with germanium: a novel way to mitigate the CO poisoning. ChemPhysChem 22, 1603-1610 (2021).
25. J. Vera-Iturriaga, K. G. Madrigal-Carrillo , M. L. Hernández-Pichardo, J. I. Rodríguez-Hernández, E. Jimenez-Izal, J. A. Montoya de la Fuente. A size-selective method for increasing the performance of Pt supported on tungstated zirconia catalysts for alkane isomerization: a combined experimental and theoretical DFT study. New J. Chem. 45, 10510-10523 (2021).
24. Elisa Jimenez-Izal, Iker Ortiz de Luzuriaga, Eloy Ramos-Cordoba, Jon M. Matxain. The role of dispersion interactions in endohedral TM@(ZnS)12 structures. ACS Omega. 16612–16622 (2021).
23. Zisheng Zhang, Zhi-Hao Cui, Elisa Jimenez-Izal, Philippe Sautet, Anastassia N. Alexandrova. Hydrogen Evolution on Restructured B-rich WB: Metastable Surface States and Isolated Active Sites. ACS Catal. 10, 13867–13877 (2020).
22. Elisa Jimenez-Izal, Ji-Yuan Liu, Anastassia N. Alexandrova. Germanium as key dopant to boost the catalytic performance of platinum for alkane dehydrogenation. J. Catal. 374, 93-100 (2019).
21. Elisa Jimenez-Izal, Bruce C. Gates, Anastassia N. Alexandrova. Designing Clusters for Heterogeneous Catalysis. Phys. Today, 72, 38-43 (2019) Invited Article.
20. Zisheng Zhang, Elisa Jimenez-Izal, Ive Hermans, Anastassia N. Alexandrova. Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride in Conditions of Oxidative Dehydrogenation of Propane. J. Phys. Chem. Lett. 10, 20-25 (2019).
19. Elisa Jimenez-Izal, Huanchen Zhai, Ji-Yuan Liu, Anastassia N. Alexandrova. Nanoalloying MgO-Deposited Pt Clusters with Si for Controlling the Selectivity of Alkane Dehydrogenation. ACS Catal. 8, 8346-8356 (2018).
18. Ondrej Dyck, Songkil Kim, Elisa Jimenez-Izal, Anastassia N. Alexandrova, Sergei V. Kalinin, Stephen Jesse. Building Structures Atom-by-Atom via Electron Beam Manipulation. Small, 14, 1801771- 1801779 (2018).
17. Ivan Popov, Elisa Jimenez-Izal, Anastassia N. Alexandrova, Alexander N. Boldyrev. Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO J. Phys. Chem. C 122, 11933-11937 (2018).
16. J. C. Thomas, D. P. Goronzy, A. C. Serino, H. S. Auluck, O. R. Irving, E. Jimenez-Izal, P. Sautet, A. N. Alexandrova, T. Base, P. S. Weiss. Acid-Base Control of Valency within Carbonedithiol Self-Assembled Monolayers: Molecules Do the Can-Can. ACS Nano 12, 2211-2221 (2018).
15. Elisa Jimenez-Izal, Anastassia N. Alexandrova. Computational Design of Clusters for Catalysis. Annual Rev. Phys. Chem. 69, 377-400 (2018). Invited article.
14. Zhihao Cui, Elisa Jimenez-Izal, Anastassia N. Alexandrova. Prediction of Two-dimensional Phase of Boron with Anisotropic Electric Conductivity. J. Phys. Chem. Lett. 8, 1224-1228 (2017).
13. Elisa Jimenez-Izal, Mark Saeys, Anastassia N. Alexandrova. Metallic and Magnetic 2D Materials Containing Planar Tetracoordinated C and N. J. Phys. Chem. C 120, 21685-21690 (2016).
12. Elisa Jimenez-Izal, Anastassia N. Alexandrova. σ-Aromaticity in Polyhydride Complexes of Ru, Ir, Os, and Pt. Phys. Chem. Chem. Phys. 18, 11644-11652 (2015).
11. Jonny Dadras, Elisa Jimenez-Izal, Anastassia N. Alexandrova. Alloying Pt Sub-Nano-Clusters with Boron: Sintering Preventative and Coke Antagonist? ACS Catal. 5, 5719-5727 (2015).
10. Elisa Jimenez-Izal, Jesus M. Ugalde, Jon M. Matxain, Nanocluster-assembled Materials. Chapter from the Book Computational Modeling of Inorganic Nanomaterials 4. chapter 113-148. Editors: Stefan T. Bromley and Martjin A. Zwinenburg Publisher: CRC Press, Taylor & Francis Group. Series in Materials Science and Engineering (2016). LCCN 2016003208; ISBN 9781466576414 (alk. Paper), ISBN 1466576413 (alk. Paper).
9. Elisa Jimenez-Izal, Jose M. Mercero, Jon M. Matxain, Martha Audiffred, Diego Moreno, Gabriel Merino, Jesus M. Ugalde. Doped Aluminum Cluster Anions: Size Matters. J. Phys. Chem. A 118, 4309-4314 (2014).
8. Elisa Jimenez-Izal, Jon M. Azpiroz, Riti Gupta, Jon M. Matxain, Jesus M. Ugalde. CdS Nanoclusters Doped with Divalent Atoms. J. Mol. Model. 20, 2227-2239 (2014).
7. Elisa Jimenez-Izal, Jon M. Matxain, Mario Piris, Jesus M. Ugalde. Second-row transition-Metal Doping of (ZniSi ) i=12,16Nanoclusters. Structural and Magnetic Properties. Computation 1, 31-45 (2013).
6. Stefan M. Huber, Joseph D. Scanlon, Elisa Jimenez-Izal, Jesus M. Ugalde, Ivan Infante. On the Directionality of Halogen Bonding. Phys. Chem. Chem. Phys. 15, 10350-10357 (2013).
5. Elisa Jimenez-Izal, Fabio Chiatti, Marta Corno, Albert Rimola, Piero Ugliengo. Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study. J. Phys. Chem. C 116, 14561-14567 (2012).
4. Stefan M. Huber, Elisa Jimenez-Izal, Jesus M. Ugalde, Ivan Infante. Unexpected Trends in Halogen-Bond Based Noncovalent Adducts. Chem. Comm. 48, 7708-7710 (2012).
3. Elisa Jimenez-Izal, Jon M. Matxain, Mario Piris, and Jesus M. Ugalde. Self-assembling endohedrally doped CdS nanoclusters: new porous solid phases of CdS. Phys. Chem. Chem. Phys. 14, 9676-9682 (2012).
2. Elisa Jimenez-Izal, Jon M. Matxain, Mario Piris, and Jesus M. Ugalde. Thermal Stability of Endohedral First-Row Transition-Metal TM@ZniSi Structures, i=12,16. J. Phys. Chem. C 115, 7829-7835 (2011).
1. Elisa Jimenez-Izal, Jon M. Matxain, Mario Piris, Jesus M. Ugalde. Structure and Stability of the Endohedrally Doped (X@CdS) X=Na,K,Cl,Br Nanoclusters. J. Phys. Chem. C 114, 2476-2483 (2010).
