Publications | Center for Interface Science and Catalysis

Active Learning Accelerated Discovery of Stable Iridium-oxide Polymorphs for the Oxygen Evolution Reaction. Journal of Chemistry of Materials, Raul A. Flores, Christopher Paolucci, Kirsten T. Winther, Ankit Jain, Jose Antonio Garrido Torres, Muratahan Aykol, Joseph H. Montoya, Jens K. Nørskov, Michal Bajdich, Thomas Bligaard. (2020)

The Materials Research Platform: Defining the Requirements from User Stories. Matter, M. Aykol, J. S. Hummelshøj, A. Anapolsky, K. Aoyagi, M. Z. Bazant, T. Bligaard, R. D. Braatz, S. Broderick, D. Cogswell, J. Dagdelen, W. Drisdell, E. Garcia, K. Garikipati, V. Gavini, W. E. Gent, L. Giordano, C. P. Gomez, R. Gomez-Bombarelli, C. Balaji Gopal, J. M. Gregoire, J. C. Grossman, P. Herring, L. Hung, T. F. Jaramillo, L. King, H.-K. Kwon, R. Maekawa, A. M. Minor, J. H. Montoya, T. Mueller, C. Ophus, K. Rajan, R. Ramprasad, B. Rohr, D. Schweigert, Y. Shao-Horn, Y. Suga, S. K. Suram, V. Viswanathan, J. F. Whitacre, A. P. Willard, O. Wodo, C. Wolverton, B. D. Storey. (2019)

An electronic structure descriptor for oxygen reactivity at metal and metal-oxide surfaces. Surface Science, Colin F. Dickens, Joseph H Montoya, Ambarish R Kulkarni, Michal Bajdich, Jens K. Nørskov . (2019)

Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis. ACS Catalysis, Aayush Singh, Joseph H. Montoya, Brian Andrew Rohr, Charlie Tsai , Aleksandra Vojvodic, Jens K. Nørskov. (2018)

Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides. Physical Chemistry Chemical Physics, Joseph H. Montoya, Andrew Doyle, Jens K. Nørskov, Aleksandra Vojvodic. (2018)

Electrochemical CO2 reduction on Au surfaces: mechanistic aspects regarding the formation of major and minor products. Physical Chemistry Chemical Physics, Etosha R. Cave, Joseph H. Montoya, Kendra P. Kuhl, David N. Abram, Toru Hatsukade, Chuan Shi, Christopher Hahn, Jens K. Nørskov, Thomas F. Jaramillo. (2017)

Materials for solar fuels and chemicals. Nature Materials, J.H. Montoya, L.C. Seitz, P. Chakthranont, A. Vojvodic, T.F. Jaramillo, J.K. Nørskov. (2017)

CO-CO coupling on Cu facets: Coverage, strain and field effects. Surface Science, Robert B. Sandberg, Joseph H. Montoya, Karen Chan, Jens K. Nørskov . (2016)

A highly active and stable IrOx/SrIrO3 catalyst for the oxygen evolution reaction. Science, L.C. Seitz , C.F. Dickens, K. Nishio, Y. Hikita, J. Montoya, A. Doyle, C. Kirk, A. Vojvodic, H.Y. Hwang, J.K. Nørskov, T.F. Jaramillo. (2016)

Direct Water Decomposition on Transition Metal Surfaces: Structural Dependence and Catalytic Screening. Catalysis Letter, C. Tsai, K. Lee, J. S. Yo, X. Liu, H. Aljama, L. D. Chen, C. F. Dickens, T. S. Geisler, C. J. Guido, T. M. Joseph, C. S. Kirk, A. A. Latimer, B. Loong, R. J. McCarty, J. H. Montoya, L. Power, A. R. Singh, J. J. Willis, M. M. Winterkorn, M. Yuan, Z. Zhao, J. Wilcox, J. K. Nørskov. (2016)

Acetaldehyde as an Intermediate in the Electroreduction of Carbon Monoxide to Ethanol on Oxide-Derived Copper. Angewandte Chemie - International Edition, E. Bertheussen, A. Verdaguer-Casadevall, D. Ravasio, J. H. Montoya, D. B. Trimarco, C. Roy, S. Meier, J. Wendland, J. K. Nørskov, I. E. L. Stephens, I. Chorkendorff. (2016)

The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations. ChemSusChem, Joseph H. Montoya, Charlie Tsai, Aleksandra Vojvodic, Jens K. Nørskov. (2015)

Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction. Journal of Physical Chemistry Letters, Joseph H. Montoya, Chuan Shi, Karen Chan, Jens K. Nørskov. (2015)

Improving Oxygen Electrochemistry Through Nanoscopic Confinement. ChemCatChem, Andrew D. Doyle, Joseph H. Montoya, Aleksandra Vojvodic. (2015)

Theoretical evaluation of the surface electrochemistry of perovskites with promising photon absorption properties for solar water splitting. Physical Chemistry Chemical Physics, Joseph H. Montoya, Monica Garcia-Mota, Jens K. Nørskov, Aleksandra Vojvodic. (2015)

Electroreduction of Methanediol on Copper. Catalysis Letters, Heine A. Hansen, Joseph H. Montoya, Yin-Jia Zhang, Chuan Shi, Andrew A. Peterson, Jens K. Nørskov. (2013)

Insights into C-C Coupling in CO2 Electroreduction on Copper Electrodes. ChemCatChem, Joseph H. Montoya, Andrew A. Peterson, Jens K. Nørskov. (2013)