{"id":21786,"date":"2026-02-26T20:59:25","date_gmt":"2026-02-26T19:59:25","guid":{"rendered":"https:\/\/www.ehu.eus\/chemistry\/theory\/?p=21786"},"modified":"2026-03-06T11:54:14","modified_gmt":"2026-03-06T10:54:14","slug":"__trashed-4","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/__trashed-4\/","title":{"rendered":"Prof. Elisa Jimenez-Izal"},"content":{"rendered":"\n

CV_Elisa<\/a><\/p>\n\n\n\n

List of Publications:<\/strong><\/p>\n\n\n\n

39. Andrea Berti, Ram\u00f3n M Bergua, Jose M Mercero, Deborah Perco, Paolo Lacovig, Silvano Lizzit, Elisa Jimenez-Izal<\/strong>, Alessandro Baraldi. Ultra-Low Atomic Diffusion Barrier on Two-Dimensional Materials: The Case of Pt on Epitaxial Graphene<\/a>. ACS Nano<\/em> 19, 35921-35932 (2025).<\/p>\n\n\n\n

38. Andoni Ugartemendia, Ramon M. Bergua, Jose M. Mercero, Elisa Jimenez-Izal<\/strong>. Boosting Synergistic Effects Between PtGe Nanoalloys and 2D Materials for PEMFC Applications<\/a>. Int. J. Hydrogen Energy<\/em> 89, 233-253 (2024).<\/p>\n\n\n\n

37. Ramon M. Bergua, Theodoros Pavloudis, Andoni Ugartemendia, Richard E. Palmer, Elisa Jimenez-Izal<\/strong>. PdTi alloys as an excellent catalyst for semi-hydrogenation reactions<\/a>. Appl. Surf. Sci.<\/em> 672, 160798 (2024).<\/span><\/p>\n\n\n\n

36. Andoni Ugartemendia, Irene Casademont-Reig, Lili Zhao, Zuxian Zhang, Gernot Frenking, Jesus M. Ugalde,<\/span> Aran Garcia-Lekue<\/span>, <\/span>Elisa Jimenez-Izal<\/strong>. <\/b>Deciphering the chemical bond of trivalent oxygen atom in oxygen doped graphene<\/a>. <\/i>Chem. Sci. <\/em>15, 6151-6159 (2024).<\/p>\n\n\n\n

35. Xuban Gastearena<\/span>, Jesus M. Ugalde<\/span>, Eider San Sebastian<\/span>,<\/span> Elisa Jimenez-Izal<\/strong>. Unveiling the electronic origin of lanthanide based chiral 3D Metal Organic Framework with ideal spin filtering capacity<\/a>. Phys. Comm. Accepted<\/em><\/i> (2024).<\/span><\/p>\n\n\n\n

34. Silvia Escayola, Elisa Jimenez-Izal<\/strong>, 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<\/a>. Phys. Chem. Chem. Phys. <\/em>26, 12619-12627 (2024).<\/span><\/p>\n\n\n\n

33. Andoni Ugartemendia, Jose M. Mercero, Elisa Jimenez-Izal<\/strong>, Abel de Cozar. Doping effects on ethane\/ethylene dehydrogenation catalyzed by Pt2X nanoclusters<\/a>. ChemPhysChem.<\/span><\/em> <\/span>25, e202400095-e202400105<\/span> (2024).<\/span><\/em><\/p>\n\n\n\n

32. Andoni Ugartemendia, Jose M. Mercero, Abel de C\u00f3zar, Marco M. Melander, Jaakko Akola, Elisa Jimenez-Izal<\/strong>. Deposited PtGe clusters as active and durable catalysts for CO oxidation<\/a>. ChemCatChem <\/em>16, e202301137-e202301149 (2024).<\/span><\/p>\n\n\n\n

31. Patricia Poths,<\/span> Borna Zandkarimi,<\/span> Anastassia N. Alexandrova,<\/span> Elisa Jimenez-Izal<\/strong>. <\/span>Pt:Ge ratio as a lever of activity and selectivity control of supported PtGe clusters in thermal dehydrogenation<\/a>. ChemCatChem<\/em>15, e202201533-e202201542 (2023).<\/p>\n\n\n\n

30. Andoni Ugartemendia, Aran Garcia-Lekue, Elisa Jimenez-Izal<\/strong>. Tailoring magnetism in silicon-doped zigzag graphene edges<\/a>. Sci. Rep.<\/span><\/em> 12, 13032-13038 (2022)<\/span>.<\/span><\/p>\n\n\n\n

29. Karina G. Madrigal-Carrillo, Juan I. Rodr\u00edguez, Martha L. Hern\u00e1ndez-Pichardo, <\/span>Elisa Jimenez-Izal<\/strong>. Unraveling the effects of Fe and Mn promoters on the tungstated zirconia catalyst: A DFT study<\/a>. Appl. Surf. Sci. <\/em>599, 154052-154058 (2022).<\/p>\n\n\n\n

28. Andrea Rogolino, Nathalie Claes, Judit Cizaurre, Aimar Marauri, Alba Jumbo, Zuzanna Lawera, Joscha Kruse, Mar\u0131\u0301a Sanrom\u00e1n-Iglesias, Ibai Zarketa, Unai Calvo, Elisa Jimenez-Izal<\/strong>, Yury P. Rakovich, Sara Bals, Jon M. Matxain, Marek Grzelczak. Metal-polymer heterojunction in colloidal-phase plasmonic catalysis<\/a>. J. Phys. Chem. Lett. 1<\/em>3, 2264-2272 (2022).<\/span><\/p>\n\n\n\n

27. Andoni Ugartemendia<\/span>, Jose M. Mercero<\/span>, <\/span>Abel de C\u00f3zar<\/span>, <\/span>Elisa Jimenez-Izal<\/strong>. Does the Composition in PtGe Clusters Play any Role in Fighting CO Poisoning?<\/a> J. Chem. Phys. <\/em>156, 174301-174311 (2022).<\/span><\/p>\n\n\n\n

26. Andoni Ugartemendia<\/span>, <\/span>Kristien Peeters<\/span>, <\/span>Piero Ferrari<\/span>, <\/span>Abel de C\u00f3zar<\/span>, Jose M. Mercero<\/span>, Ewald Janssens<\/span>,<\/span> <\/span>Elisa Jimenez-Izal<\/strong>. <\/span>Doping platinum with germanium: a novel way to mitigate the CO poisoning<\/a>. ChemPhysChem<\/span><\/em> 22, 1603-1610 (2021).<\/span><\/span><\/p>\n\n\n\n

25. J. Vera-Iturriaga<\/span>, K. G. Madrigal-Carrillo<\/span> , <\/span>M. L. Hern\u00e1ndez-Pichardo<\/span>, J. I. Rodr\u00edguez-Hern\u00e1ndez<\/span>,  E. Jimenez-Izal<\/strong><\/span>, 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<\/a>.<\/span> New J. Chem.<\/em> 45, 10510-10523 (2021).<\/span><\/p>\n\n\n\n

24. Elisa Jimenez-Izal<\/strong>, Iker Ortiz de Luzuriaga<\/span>, Eloy Ramos-Cordoba<\/span>, Jon M. Matxain. <\/span>The role of dispersion interactions in endohedral TM@(ZnS)12 structures<\/a>. ACS Omega.<\/span><\/i> 1<\/span>6612\u201316622 (2021).<\/span><\/span><\/p>\n\n\n\n

23. Zisheng Zhang, Zhi-Hao <\/span>Cui, <\/span>Elisa Jimenez-Izal<\/strong>,<\/strong> Philippe Sautet, Anastassia N. Alexandrova. <\/span>Hydrogen Evolution on Restructured B-rich WB: Metastable Surface States and Isolated Active Sites.<\/span><\/a> <\/span><\/i>ACS Catal.<\/span><\/i> 10, <\/span>13867\u201313877<\/span> (2020).<\/span><\/p>\n\n\n\n

22. Elisa Jimenez-Izal<\/strong>, Ji-Yuan Liu, Anastassia N. Alexandrova. Germanium as key dopant to boost the catalytic performance of platinum for alkane dehydrogenation<\/a>. J. Catal. <\/em>374, 93-100 (2019)<\/span>.<\/p>\n\n\n\n

21. Elisa Jimenez-Izal<\/strong>, Bruce C. Gates, Anastassia N. Alexandrova. Designing Clusters for Heterogeneous Catalysis<\/a>. Phys. Today<\/em>, 72, 38-43 (2019) Invited Article.<\/p>\n\n\n\n

20. Zisheng Zhang, Elisa Jimenez-Izal<\/strong>, Ive Hermans, Anastassia N. Alexandrova. Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride in Conditions of Oxidative Dehydrogenation of Propane<\/a>. J. Phys. Chem. Lett.<\/em> 10, 20-25 (2019).<\/p>\n\n\n\n

19. Elisa Jimenez-Izal<\/strong>, Huanchen Zhai, Ji-Yuan Liu, Anastassia N. Alexandrova. Nanoalloying MgO-Deposited Pt Clusters with Si for Controlling the Selectivity of Alkane Dehydrogenation<\/a>. ACS Catal.<\/em> 8, 8346-8356<\/span><\/span> (2018).<\/p>\n\n\n\n

18. Ondrej Dyck, Songkil Kim, Elisa Jimenez-Izal\u200b<\/strong>, Anastassia N. Alexandrova, Sergei V. Kalinin, Stephen Jesse. Building Structures Atom-by-Atom via Electron Beam Manipulation.<\/a> Small, <\/em>14, 1801771- 1801779 (2018).<\/p>\n\n\n\n

17. Ivan Popov, Elisa Jimenez-Izal<\/strong>, Anastassia N. Alexandrova, Alexander N. Boldyrev. Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO<\/a> J. Phys. Chem. C<\/em> 122, 11933-11937<\/span> (2018).<\/p>\n\n\n\n

16. J. C. Thomas, D. P. Goronzy, A. C. Serino, H. S. Auluck, O. R. Irving, E. Jimenez-Izal<\/strong>\u200b, 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.<\/a> ACS Nano<\/em> 12, 2211-2221 (2018).<\/p>\n\n\n\n

15. Elisa Jimenez-Izal\u200b<\/strong>, Anastassia N. Alexandrova. Computational Design of Clusters for Catalysis.<\/a> Annual Rev. Phys. Chem.<\/em> 69, 377-400\u200b (2018). Invited article.<\/p>\n\n\n\n

14. Zhihao Cui, Elisa Jimenez-Izal<\/strong>\u200b, Anastassia N. Alexandrova. Prediction of Two-dimensional Phase of Boron with Anisotropic Electric Conductivity.<\/a> J. Phys. Chem. Lett.<\/em> 8\u200b, 1224-1228 (2017).<\/p>\n\n\n\n

13. Elisa Jimenez-Izal<\/strong>, \u200bMark Saeys, Anastassia N. Alexandrova. Metallic and Magnetic 2D Materials Containing Planar Tetracoordinated C and N.<\/a> J. Phys. Chem. C<\/em> 120\u200b, 21685-21690 (2016).<\/p>\n\n\n\n

12. Elisa Jimenez-Izal\u200b<\/strong>, Anastassia N. Alexandrova. \u03c3-Aromaticity in Polyhydride Complexes of Ru, Ir, Os, and Pt.<\/a> Phys. Chem. Chem. Phys.<\/em> 18\u200b, 11644-11652 (2015).<\/p>\n\n\n\n

11. Jonny Dadras, Elisa Jimenez-Izal\u200b<\/strong>, Anastassia N. Alexandrova. Alloying Pt Sub-Nano-Clusters with Boron: Sintering Preventative and Coke Antagonist?<\/a> ACS Catal.<\/em> 5\u200b, 5719-5727 (2015).<\/p>\n\n\n\n

10. Elisa Jimenez-Izal\u200b<\/strong>, Jesus M. Ugalde, Jon M. Matxain, Nanocluster-assembled Materials.<\/em> Chapter from the Book Computational Modeling of Inorganic Nanomaterials<\/a> 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<\/strong>). LCCN 2016003208; ISBN 9781466576414 (alk. Paper), ISBN 1466576413 (alk. Paper).<\/p>\n\n\n\n

9. Elisa Jimenez-Izal\u200b<\/strong>, Jose M. Mercero, Jon M. Matxain, Martha Audiffred, Diego Moreno, Gabriel Merino, Jesus M. Ugalde. Doped Aluminum Cluster Anions: Size Matters<\/a>. J. Phys. Chem. A<\/em> 118\u200b, 4309-4314 (2014).<\/p>\n\n\n\n

8. Elisa Jimenez-Izal\u200b<\/strong>, Jon M. Azpiroz, Riti Gupta, Jon M. Matxain, Jesus M. Ugalde. CdS Nanoclusters Doped with Divalent Atoms<\/a>.<\/em> J. Mol. Model.<\/em> 20\u200b, 2227-2239 (2014).<\/p>\n\n\n\n

7. Elisa Jimenez-Izal<\/strong>\u200b, Jon M. Matxain, Mario Piris, Jesus M. Ugalde. Second-row transition-Metal Doping of (ZniSi ) i=12,16Nanoclusters. Structural and Magnetic Properties<\/a>. Computation<\/em> 1\u200b, 31-45 (2013).<\/p>\n\n\n\n

6. Stefan M. Huber, Joseph D. Scanlon, Elisa Jimenez-Izal<\/strong>\u200b, Jesus M. Ugalde, Ivan Infante. On the Directionality of Halogen Bonding<\/a>.<\/em> Phys. Chem. Chem. Phys.<\/em> 15\u200b, 10350-10357 (2013).<\/p>\n\n\n\n

5. Elisa Jimenez-Izal<\/strong>\u200b, Fabio Chiatti, Marta Corno, Albert Rimola, Piero Ugliengo. Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study<\/a>.<\/em> J. Phys. Chem. C<\/em> 116\u200b, 14561-14567 (2012).<\/p>\n\n\n\n

4. Stefan M. Huber, Elisa Jimenez-Izal\u200b<\/strong>, Jesus M. Ugalde, Ivan Infante. Unexpected Trends in Halogen-Bond Based Noncovalent Adducts<\/a>.<\/em> Chem. Comm.<\/em> 48\u200b, 7708-7710 (2012).<\/p>\n\n\n\n

3. Elisa Jimenez-Izal<\/strong>\u200b, Jon M. Matxain, Mario Piris, and Jesus M. Ugalde. Self-assembling endohedrally doped CdS nanoclusters: new porous solid phases of CdS<\/a>.<\/em> Phys. Chem. Chem. Phys.<\/em> 14\u200b, 9676-9682 (2012).<\/p>\n\n\n\n

2. Elisa Jimenez-Izal<\/strong>\u200b, Jon M. Matxain, Mario Piris, and Jesus M. Ugalde. Thermal Stability of Endohedral First-Row Transition-Metal TM@ZniSi Structures, i=12,16<\/a>. J. Phys. Chem. C<\/em> 115\u200b, 7829-7835 (2011).<\/p>\n\n\n\n

1. Elisa Jimenez-Izal<\/strong>, Jon M. Matxain, Mario Piris, Jesus M. Ugalde. Structure and Stability of the Endohedrally Doped (X@CdS) X=Na,K,Cl,Br Nanoclusters<\/a>.<\/em> J. Phys. Chem. C<\/em> 114\u200b, 2476-2483 (2010).<\/p>\n","protected":false},"excerpt":{"rendered":"

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