Associate Prof. Elisa Jimenez-Izal

@article{berti-2025-pt-graphene,
  title = {Ultra-Low Atomic Diffusion Barrier on Two-Dimensional Materials: The Case of Pt on Epitaxial Graphene},
  author = {Andrea Berti and Ramón M. Bergua and Jose M. Mercero and Deborah Perco and Paolo Lacovig and Silvano Lizzit and Elisa Jimenez-Izal and Alessandro Baraldi},
  journal = {ACS Nano},
  year = {2025},
  volume = {19},
  number = {40},
  pages = {35921--35932},
  doi = {10.1021/acsnano.5c13305},
  url = {https://doi.org/10.1021/acsnano.5c13305},
}

@article{10-1039-d4cp00484a,
  title = {Unveiling the quantum secrets of triel metal triangles: a tale of stability, aromaticity, and relativistic effects},
  author = {Sílvia Escayola and Elisa Jimenez-Izal and Eduard Matito and Jesus M. Ugalde and Rafael Grande-Aztatzi and Jose M. Mercero},
  journal = {Phys. Chem. Chem. Phys.},
  year = {2024},
  volume = {26},
  number = {16},
  pages = {12619--12627},
  doi = {10.1039/d4cp00484a},
  url = {https://doi.org/10.1039/d4cp00484a},
}

@article{10-1038-s42005-024-01651-4,
  title = {Unveiling the electronic origin of lanthanide based Metal Organic Framework with ideal spin filtering capacity},
  author = {Xuban Gastearena and Jesus M. Ugalde and German E. Pieslinger and Eider San Sebastian and Elisa Jimenez-Izal},
  journal = {Commun Phys},
  year = {2024},
  volume = {7},
  number = {1},
  doi = {10.1038/s42005-024-01651-4},
  url = {https://doi.org/10.1038/s42005-024-01651-4},
}

@article{10-1016-j-apsusc-2024-160798,
  title = {PdTi alloys as an excellent catalyst for semi-hydrogenation reactions},
  author = {Ramon M. Bergua and Theodoros Pavloudis and Andoni Ugartemendia and Richard E. Palmer and Elisa Jimenez-Izal},
  journal = {Applied Surface Science},
  year = {2024},
  volume = {672},
  doi = {10.1016/j.apsusc.2024.160798},
  url = {https://doi.org/10.1016/j.apsusc.2024.160798},
}

@article{10-1002-cphc-202400095,
  title = {Doping Efects on Ethane/Ethylene Dehydrogenation Catalyzed by Pt 2 X Nanoclusters},
  author = {Andoni Ugartemendia and José M. Mercero and Elisa Jimenez‐Izal and Abel de Cózar},
  journal = {ChemPhysChem},
  year = {2024},
  volume = {25},
  number = {12},
  doi = {10.1002/cphc.202400095},
  url = {https://doi.org/10.1002/cphc.202400095},
}

@article{ugartemendia-2024-ptge-co-oxidation,
  title = {Deposited PtGe Clusters as Active and Durable Catalysts for CO Oxidation**},
  author = {Andoni Ugartemendia and Jose M. Mercero and Abel de Cózar and Marko M. Melander and Jaakko Akola and Elisa Jimenez‐Izal},
  journal = {ChemCatChem},
  year = {2024},
  volume = {16},
  number = {3},
  doi = {10.1002/cctc.202301137},
  url = {https://doi.org/10.1002/cctc.202301137},
}

@article{ugartemendia-2024-trivalent-oxygen-graphene,
  title = {Deciphering the chemical bonding of the trivalent oxygen atom in oxygen doped graphene},
  author = {Andoni Ugartemendia and Irene Casademont-Reig and Lili Zhao and Zuxian Zhang and Gernot Frenking and Jesus M. Ugalde and Aran Garcia-Lekue and Elisa Jimenez-Izal},
  journal = {Chem. Sci.},
  year = {2024},
  volume = {15},
  number = {16},
  pages = {6151--6159},
  doi = {10.1039/d4sc00142g},
  url = {https://doi.org/10.1039/d4sc00142g},
}

@article{ugartemendia-2024-ptge-pemfc,
  title = {Boosting synergistic effects between PtGe nanoalloys and 2D materials for PEMFC applications},
  author = {Andoni Ugartemendia and Ramón M. Bergua and Jose M. Mercero and Elisa Jimenez-Izal},
  journal = {International Journal of Hydrogen Energy},
  year = {2024},
  volume = {89},
  pages = {233--253},
  doi = {10.1016/j.ijhydene.2024.09.279},
  url = {https://doi.org/10.1016/j.ijhydene.2024.09.279},
}

@article{10-1002-cctc-202201533,
  title = {Pt : Ge Ratio as a Lever of Activity and Selectivity Control of Supported PtGe Clusters in Thermal Dehydrogenation},
  author = {P. Poths and B. Zandkarimi and A. N. Alexandrova and E. Jimenez-Izal},
  journal = {Chemcatchem},
  year = {2023},
  doi = {10.1002/cctc.202201533},
  url = {https://doi.org/10.1002/cctc.202201533},
}

@article{10-1016-j-apsusc-2022-154052,
  title = {Unraveling the effects of Fe and Mn promoters on the tungstated zirconia catalyst: A DFT study},
  author = {K. G. Madrigal-Carrillo and J. I. Rodriguez and M. L. Hernandez-Pichardo and E. Jimenez-Izal},
  journal = {Applied Surface Science},
  year = {2022},
  volume = {599},
  doi = {10.1016/j.apsusc.2022.154052},
  url = {https://doi.org/10.1016/j.apsusc.2022.154052},
}

@article{10-1038-s41598-022-16902-z,
  title = {Tailoring magnetism in silicon-doped zigzag graphene edges},
  author = {A. Ugartemendia and A. Garcia-Lekue and E. Jimenez-Izal},
  journal = {Scientific Reports},
  year = {2022},
  volume = {12},
  number = {1},
  doi = {10.1038/s41598-022-16902-z},
  url = {https://doi.org/10.1038/s41598-022-16902-z},
}

@article{10-1021-acs-jpclett-1c04242,
  title = {Metal-Polymer Heterojunction in Colloidal-Phase Plasmonic Catalysis},
  author = {A. Rogolino and N. Claes and J. Cizaurre and A. Marauri and A. Jumbo-Nogales and Z. Lawera and J. Kruse and M. Sanroman-Iglesias and I. Zarketa and U. Calvo and E. Jimenez-Izal and Y. P. Rakovich and S. Bals and J. M. Matxain and M. Grzelczak},
  journal = {Journal of Physical Chemistry Letters},
  year = {2022},
  volume = {13},
  number = {10},
  pages = {2264-2272},
  doi = {10.1021/acs.jpclett.1c04242},
  url = {https://doi.org/10.1021/acs.jpclett.1c04242},
}

@article{10-1063-5-0089179,
  title = {Does the composition in PtGe clusters play any role in fighting CO poisoning?},
  author = {A. Ugartemendia and J. M. Mercero and A. Cozar and E. Jimenez-Izal},
  journal = {Journal of Chemical Physics},
  year = {2022},
  volume = {156},
  number = {17},
  doi = {10.1063/5.0089179},
  url = {https://doi.org/10.1063/5.0089179},
}

@article{10-1021-acsomega-1c02016,
  title = {Role of Dispersion Interactions in Endohedral TM@(ZnS)(12) Structures},
  author = {E. Jimenez-Izal and I. O. Luzuriaga and E. Ramos-Cordoba and J. M. Matxain},
  journal = {Acs Omega},
  year = {2021},
  volume = {6},
  number = {25},
  pages = {16612-16622},
  doi = {10.1021/acsomega.1c02016},
  url = {https://doi.org/10.1021/acsomega.1c02016},
}

@article{10-1002-cphc-202100407,
  title = {Doping Platinum with Germanium: An Effective Way to Mitigate the CO Poisoning},
  author = {A. Ugartemendia and K. Peeters and P. Ferrari and A. Cozar and J. M. Mercero and E. Janssens and E. Jimenez-Izal},
  journal = {Chemphyschem},
  year = {2021},
  volume = {22},
  number = {15},
  pages = {1603-1610},
  doi = {10.1002/cphc.202100407},
  url = {https://doi.org/10.1002/cphc.202100407},
}

@article{10-1039-d1nj01725j,
  title = {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},
  author = {J. Vera-Iturriaga and K. G. Madrigal-Carrillo and M. L. Hernandez-Pichardo and J. I. Rodriguez and E. Jimenez-Izal and J. A. M. De la Fuente},
  journal = {New Journal of Chemistry},
  year = {2021},
  volume = {45},
  number = {23},
  pages = {10510-10523},
  doi = {10.1039/d1nj01725j},
  url = {https://doi.org/10.1039/d1nj01725j},
}

@article{10-1021-acscatal-0c03410,
  title = {Hydrogen Evolution on Restructured B-Rich WB: Metastable Surface States and Isolated Active Sites},
  author = {Z. S. Zhang and Z. H. Cui and E. Jimenez-Izal and P. Sautet and A. N. Alexandrova},
  journal = {Acs Catalysis},
  year = {2020},
  volume = {10},
  number = {23},
  pages = {13867-13877},
  doi = {10.1021/acscatal.0c03410},
  url = {https://doi.org/10.1021/acscatal.0c03410},
}

@article{10-1016-j-jcat-2019-04-034,
  title = {Germanium as key dopant to boost the catalytic performance of small platinum clusters for alkane dehydrogenation},
  author = {E. Jimenez-Izal and J. Y. Liu and A. N. Alexandrova},
  journal = {Journal of Catalysis},
  year = {2019},
  volume = {374},
  pages = {93-100},
  doi = {10.1016/j.jcat.2019.04.034},
  url = {https://doi.org/10.1016/j.jcat.2019.04.034},
}

@article{10-1021-acs-jpclett-8b03373,
  title = {Dynamic Phase Diagram of Catalytic Surface of Hexagonal Boron Nitride under Conditions of Oxidative Dehydrogenation of Propane},
  author = {Z. S. Zhang and E. Jimenez-Izal and I. Hermans and A. N. Alexandrova},
  journal = {Journal of Physical Chemistry Letters},
  year = {2019},
  volume = {10},
  number = {1},
  pages = {20-25},
  doi = {10.1021/acs.jpclett.8b03373},
  url = {https://doi.org/10.1021/acs.jpclett.8b03373},
}

@article{10-1063-pt-3-4248,
  title = {Designing clusters for heterogeneous catalysis},
  author = {E. Jimenez-Izal and B. C. Gates and A. N. Alexandrova},
  journal = {Physics Today},
  year = {2019},
  volume = {72},
  number = {7},
  pages = {38-43},
  doi = {10.1063/pt.3.4248},
  url = {https://doi.org/10.1063/pt.3.4248},
}

@article{10-1021-acscatal-8b02443,
  title = {Nanoalloying MgO-Deposited Pt Clusters with Si To Control the Selectivity of Alkane Dehydrogenation},
  author = {E. Jimenez-Izal and H. C. Zhai and J. Y. Liu and A. N. Alexandrova},
  journal = {Acs Catalysis},
  year = {2018},
  volume = {8},
  number = {9},
  pages = {8346-8356},
  doi = {10.1021/acscatal.8b02443},
  url = {https://doi.org/10.1021/acscatal.8b02443},
}

@article{10-1021-acs-jpcc-8b03118,
  title = {Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO},
  author = {I. A. Popov and E. Jimenez-Izal and A. N. Alexandrova and A. I. Boldyrev},
  journal = {Journal of Physical Chemistry C},
  year = {2018},
  volume = {122},
  number = {22},
  pages = {11933-11937},
  doi = {10.1021/acs.jpcc.8b03118},
  url = {https://doi.org/10.1021/acs.jpcc.8b03118},
}

@inbook{10-1146-annurev-physchem-050317-014216,
  title = {Computational Design of Clusters for Catalysis},
  author = {E. Jimenez-Izal and A. N. Alexandrova},
  journal = {Annual Review of Physical Chemistry},
  year = {2018},
  volume = {69},
  number = {1},
  pages = {377-400},
  doi = {10.1146/annurev-physchem-050317-014216},
  url = {https://doi.org/10.1146/annurev-physchem-050317-014216},
}

@article{10-1002-smll-201801771,
  title = {Building Structures Atom by Atom via Electron Beam Manipulation},
  author = {O. Dyck and S. Kim and E. Jimenez-Izal and A. N. Alexandrova and S. V. Kalinin and S. Jesse},
  journal = {Small},
  year = {2018},
  volume = {14},
  number = {38},
  doi = {10.1002/smll.201801771},
  url = {https://doi.org/10.1002/smll.201801771},
}

@article{10-1021-acsnano-7b09011,
  title = {Acid-Base Control of Valency within Carboranedithiol Self-Assembled Monolayers: Molecules Do the Can-Can},
  author = {J. C. Thomas and D. P. Goronzy and A. C. Serino and H. S. Auluck and O. R. Irving and E. Jimenez-Izal and J. M. Deirmenjian and J. Machacek and P. Sautet and A. N. Alexandrova and T. Base and P. S. Weiss},
  journal = {Acs Nano},
  year = {2018},
  volume = {12},
  number = {3},
  pages = {2211-2221},
  doi = {10.1021/acsnano.7b09011},
  url = {https://doi.org/10.1021/acsnano.7b09011},
}

@article{10-1021-acs-jpclett-7b00275,
  title = {Prediction of Two-Dimensional Phase of Boron with Anisotropic Electric Conductivity},
  author = {Z. H. Cui and E. Jimenez-Izal and A. N. Alexandrova},
  journal = {Journal of Physical Chemistry Letters},
  year = {2017},
  volume = {8},
  number = {6},
  pages = {1224-1228},
  doi = {10.1021/acs.jpclett.7b00275},
  url = {https://doi.org/10.1021/acs.jpclett.7b00275},
}

@article{wos-000430568502716,
  title = {Borated Pt subnanoclusters on metal oxides: Coke prevention via minimizing dehydrogenation of alkenes and C-sticking},
  author = {Mai-Anh Ha and Eric Baxter and Jonny Dadras and Elisa Jimenez-Izal and Scott Anderson and Anastassia Alexandrova},
  journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
  year = {2017},
  volume = {253},
}

@article{wos-000430568507286,
  title = {Alloying supported Pt clusters with boron: Coke antagonist},
  author = {Anastassia Alexandrova and Mai-Anh Ha and Elisa Jimenez-Izal},
  journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
  year = {2017},
  volume = {253},
}

@article{10-1039-c5cp04330a,
  title = {σ-Aromaticity in polyhydride complexes of Ru, Ir, Os, and Pt},
  author = {Elisa Jimenez-Izal and Anastassia N. Alexandrova},
  journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS},
  year = {2016},
  volume = {18},
  number = {17},
  pages = {11644-11652},
  doi = {10.1039/c5cp04330a},
  url = {https://doi.org/10.1039/c5cp04330a},
}

@article{wos-000431903806040,
  title = {Sub-nano, surface-deposited Pt cluster catalysts: Realistic modeling and tuning through the electronic structure insights},
  author = {Elisa Jimenez-Izal and Mai-Anh Ha and Huanchen Zhai and Anastassia Alexandrova},
  journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
  year = {2016},
  volume = {251},
}

@book{rn39,
  title = {Nanocluster-Assembled materials},
  author = {E. Jimenez-Izal and J. M. Ugalde and J. M. Matxain},
  journal = {Series in Material Science and Engineering},
  year = {2016},
  volume = {18},
  pages = {113-148},
  doi = {10.1201/b19528-6},
  url = {https://doi.org/10.1201/b19528-6},
}

@article{10-1021-acs-jpcc-6b07612,
  title = {Metallic and Magnetic 2D Materials Containing Planar Tetracoordinated C and N},
  author = {E. Jimenez-Izal and M. Saeys and A. N. Alexandrova},
  journal = {Journal of Physical Chemistry C},
  year = {2016},
  volume = {120},
  number = {38},
  pages = {21685-21690},
  doi = {10.1021/acs.jpcc.6b07612},
  url = {https://doi.org/10.1021/acs.jpcc.6b07612},
}

@article{wos-000431903801833,
  title = {Improvement of platinum nanocatalysts via boron doping},
  author = {Elisa Jimenez-Izal and Mai-Anh Ha and Jonny Dadras and Anastassia Alexandrova},
  journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
  year = {2016},
  volume = {251},
}

@article{wos-000431903801684,
  title = {Battling deactivation of sub-nano surface-deposited Pt cluster catalysts},
  author = {Elisa Jimenez-Izal and Mai-Anh Ha and Anastassia Alexandrova},
  journal = {ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY},
  year = {2016},
  volume = {251},
}

@article{10-1021-acs-catal-5b01513,
  title = {Alloying Pt Sub-nano-clusters with Boron: Sintering Preventative and Coke Antagonist?},
  author = {Jonny Dadras and Elisa Jimenez-Izal and Anastassia N. Alexandrova},
  journal = {ACS CATALYSIS},
  year = {2015},
  volume = {5},
  number = {10},
  pages = {5719-5727},
  doi = {10.1021/acscatal.5b01513},
  url = {https://doi.org/10.1021/acscatal.5b01513},
}

@article{10-1021-jp501496b,
  title = {Doped Aluminum Cluster Anions: Size Matters},
  author = {E. Jimenez-Izal and D. Moreno and J. M. Mercero and J. M. Matxain and M. Audiffred and G. Merino and J. M. Ugalde},
  journal = {Journal of Physical Chemistry A},
  year = {2014},
  volume = {118},
  number = {24},
  pages = {4309-4314},
  doi = {10.1021/jp501496b},
  url = {https://doi.org/10.1021/jp501496b},
}

@article{10-1007-s00894-014-2227-3,
  title = {CdS nanoclusters doped with divalent atoms},
  author = {E. Jimenez-Izal and J. M. Azpiroz and R. Gupta and J. M. Matxain and J. M. Ugalde},
  journal = {Journal of Molecular Modeling},
  year = {2014},
  volume = {20},
  number = {6},
  doi = {10.1007/s00894-014-2227-3},
  url = {https://doi.org/10.1007/s00894-014-2227-3},
}

@article{10-3390-computation1030031,
  title = {Second-Row Transition- Metal Doping of (ZniSi)},
  author = {E. Jimenez-Izal and J. M. Matxain and M. Piris and J. M. Ugalde},
  journal = {Computation},
  year = {2013},
  volume = {1},
  number = {3},
  pages = {31-45},
  doi = {10.3390/computation1030031},
  url = {https://doi.org/10.3390/computation1030031},
}

@article{10-1039-c3cp50892g,
  title = {On the directionality of halogen bonding},
  author = {S. M. Huber and J. D. Scanlon and E. Jimenez-Izal and J. M. Ugalde and I. Infante},
  journal = {Physical Chemistry Chemical Physics},
  year = {2013},
  volume = {15},
  number = {25},
  pages = {10350-10357},
  doi = {10.1039/c3cp50892g},
  url = {https://doi.org/10.1039/c3cp50892g},
}

@article{10-1039-c2cc33304j,
  title = {Unexpected trends in halogen-bond based noncovalent adducts},
  author = {S. M. Huber and E. Jimenez-Izal and J. M. Ugalde and I. Infante},
  journal = {Chemical Communications},
  year = {2012},
  volume = {48},
  number = {62},
  pages = {7708-7710},
  doi = {10.1039/c2cc33304j},
  url = {https://doi.org/10.1039/c2cc33304j},
}

@article{10-1039-c2cp41273j,
  title = {Self-assembling endohedrally doped CdS nanoclusters: new porous solid phases of CdS},
  author = {E. Jimenez-Izal and J. M. Matxain and M. Piris and J. M. Ugalde},
  journal = {Physical Chemistry Chemical Physics},
  year = {2012},
  volume = {14},
  number = {27},
  pages = {9676-9682},
  doi = {10.1039/c2cp41273j},
  url = {https://doi.org/10.1039/c2cp41273j},
}

@article{10-1021-jp304473p,
  title = {Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study},
  author = {E. Jimenez-Izal and F. Chiatti and M. Corno and A. Rimola and P. Ugliengo},
  journal = {Journal of Physical Chemistry C},
  year = {2012},
  volume = {116},
  number = {27},
  pages = {14561-14567},
  doi = {10.1021/jp304473p},
  url = {https://doi.org/10.1021/jp304473p},
}

@article{10-1021-jp108640w,
  title = {Thermal Stability of Endohedral First-Row Transition-Metal TM@ZniSi Structures},
  author = {E. Jimenez-Izal and J. M. Matxain and M. Piris and J. M. Ugalde},
  journal = {Journal of Physical Chemistry C},
  year = {2011},
  volume = {115},
  number = {16},
  pages = {7829-7835},
  doi = {10.1021/jp108640w},
  url = {https://doi.org/10.1021/jp108640w},
}

@article{10-1021-jp909357c,
  title = {Structure and Stability of the Endohedrally Doped (X@CdiSi)(i=4,9,12,15,16)(q=0,+/- 1)},
  author = {E. Jimenez-Izal and J. M. Matxain and M. Piris and J. M. Ugalde},
  journal = {Journal of Physical Chemistry C},
  year = {2010},
  volume = {114},
  number = {6},
  pages = {2476-2483},
  doi = {10.1021/jp909357c},
  url = {https://doi.org/10.1021/jp909357c},
}