Computational Surface Science and Catalysis Group

Marc Figueras Valls

Position title: Post-Doctorate

Email: mvalls@wisc.edu

Address:
2733 Engineering Hall

Education:

Ph.D. in Theoretical Chemistry and Computational Modelling
Universitat de Barcelona

M.Sc. in Theoretical Chemistry and Computational Modelling
Universitat de Barcelona

B.Sc. in Chemistry
Universitat de Barcelona

Publications:

  1. “Thermal Stability of Au Rhombic Dodecahedral Nanocrystals Can Be Greatly Enhanced by Coating Their Surface with an Ultrathin Shell of Pt”, V. D. Pawlik, X. Zhao, M. Figueras-Valls, T. J. Wolter, Z. D. Hood, Y. Ding, J. Liu, M. Chi, M. Mavrikakis, and Y. Xia, Nano Letters 24, 549 (2024). [DOI]

  2. “Fast and Non-equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals”, S. Zhou, M. Figueras-Valls, Y. Shi, Y. Ding, M. Mavrikakis, and Y. Xia, Angewandte Chemie International Edition 62, e202306906 (2023). [DOI]

    3. (Feature Article Cover Page image)

  3. “Gas-phase microactuation using kinetically controlled surface states of ultrathin catalytic sheets”, N. Bao, Q. Liu, M. F. Reynolds, M. Figueras, E. Smith, W. Wang, M. C. Cao, D. A. Muller, M. Mavrikakis, I. Cohen, P. L. McEuen, and N. L. Abbott, Proceedings of the National Academy of Sciences 120, e2221740120 (2023). [DOI]

  4. “Phase-Controlled Synthesis of Ru Nanocrystals via Template-Directed Growth: Surface Energy versus Bulk Energy”, A. Janssen, Z. Lyu, M. Figueras-Valls, H. Chao, Y. Shi, V. Pawlik, M. Chi, M. Mavrikakis, and Y. Xia, Nano Letters 22, 3591 (2022). [DOI]

  5. “Supported Molybdenum Carbide Nanoparticles as an Excellent Catalyst for CO2 Hydrogenation”, M. Figueras, R. A. Gutiérrez, F. Viñes, P. J. Ramírez, J. A. Rodriguez, and F. Illas, ACS Catalysis 11, 9679 (2021). [DOI]

  6. “Size and Stoichiometry Effects on the Reactivity of MoCy Nanoparticles toward Ethylene”, C. Jimenez Orozco, M. Figueras, E. Florez, F. Viñes, J. A. Rodriguez, and F. Illas, Journal of Physical Chemistry C 125, 6287 (2021). [DOI]

  7. “Assigning XPS features in B,N-doped graphene: input from ab initio quantum chemical calculations”, R. Costa, A. Morales-García, M. Figueras, and F. Illas, Physical Chemistry Chemical Physics 23, 1558 (2021). [DOI]

  8. “Supported Molybdenum Carbide Nanoparticles as Hot Hydrogen Reservoirs for Catalytic Applications”, M. Figueras, R. A. Gutiérrez, P. J. Ramírez, J. A. Rodriguez, and F. Illas, Journal of Physical Chemistry Letters 11, 8437 (2020). [DOI]

  9. “Bulk (in)stability as a possible source of surface reconstruction”, M. Figueras, A. Jurado, Á. Morales-García, F. Viñes, and F. Illas, Physical Chemistry Chemical Physics 22, 19249 (2020). [DOI]

  10. “Boosting the activity of transition metal carbides towards methane activation by nanostructuring”, M. Figueras, R. Gutierrez, H. Prats, F. Viñes, P. Ramirez, F. Illas, and J. Rodriguez, Physical Chemistry Chemical Physics 22, 7110 (2020). [DOI]

  11. “Effect of electron correlation in the decomposition of core level binding energy shifts into initial and final state contributions”, M. Figueras, C. Sousa, and F. Illas, Physical Chemistry Chemical Physics 21, 9399 (2019). [DOI]

  12. “Correcting Flaws in the Assignment of Nitrogen Chemical Environments in N-Doped Graphene”, M. Figueras, I. J. Villar-Garcia, F. Viñes, C. Sousa, V. A. de la Peña O’Shea, F. Illas, Journal of Physical Chemistry C 123, 11319 (2019). [DOI]