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, Jose M. Mercero, Elisa Jimenez-Izal, Abel de Cozar. Doping effects on ethane/ethylene dehydrogenation catalyzed by Pt2X nanoclusters. ChemPhysChem. Accepted.
35. 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. Accepted.
34. 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. Accepted.
33. 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.
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 Accepted.
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. ChemCatChem Accepted.
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).
