Ivana (née Matanovic) Gonzales, Ph.D.
EDUCATION
2007
Ph.D. in Physical Chemistry, Faculty of Natural Science, University of Zagreb, Croatia
2003
B.Sc. in Chemical Engineering, Faculty of Natural Science, University of Zagreb, Croatia
WORK EXPERIENCE
2022 - present
Staff Scientist, Los Alamos National Laboratory, Los Alamos, NM, USA
2018 - 2022
Research Associate Professor, UNM Center for Micro-Engineered Materials, University of New Mexico, Albuquerque, USA
2013-2018
Research Assistant Professor, University of New Mexico, Albuquerque, USA
2010-2013
Postdoctoral Research, Los Alamos National Laboratory, Los Alamos, USA
2009
Postdoctoral Research, New York University, New York, USA
2008
Postdoctoral Research, Rudjer Boskovic Institute, Zagreb, Croatia
2003-2007
Postgraduate Research, Rudjer Boskovic Institute, Zagreb, Croatia
EXPERTISE
Computational design of novel materials and processes for efficient, cost-effective, and clean energy economy (e.g., proton/anion-exchange membrane fuel cells, hydrogen economy), calculation of spectroscopic properties of surface bound species, electronic structure, and transport properties calculations.
The oxygen reduction reaction on Platinum Group Metal (PGM) and PGM-free catalysts (structure to property relationships) including the effect of poisoning (e.g., cross over fuel, air contaminants).
Electro-reduction of nitrogen to ammonia on metal nitrides and carbides.
The oxygen evolution reaction and hydrogen evolution reaction on PGM-free catalysts.
Effect of non-carbonaceous supports (metal oxides) on the electro-catalytic activity of PGM catalysts.
The effects of the different multifunctional electrolytes (e.g., Nafion fragments, alkali metal cations, organic cations) on the electro-catalytic reactions.
Calculation of Pourbaix diagrams and understanding the influence of the surface structure on electro-catalytic activity and selectivity.
Engineering of photo-catalytic materials (band gaps, band offsets, thermal stability).
Electronic conductivity from Density Functional Theory calculations.
Monte Carlo simulations of secondary electron generation and emission.
Modeling spectroscopic features of surface species (vibrational, XPS, and Mössbauer spectroscopy).
Engineering of optimal protein−support interactions for rationally designed bio-electrodes (effect of support modification on the efficiency of electron transfer on the bio-nano interface).
PUBLICATIONS
2023
D. Yang, K. Chen, A. S. Edgar, I. Matanovic, J. Jung, and J. D. Kress, Recent progress in aging studies of a eutectic mixture of bis(2,2-dinitropropyl) acetal and formal nitroplasticizer, Polym. Degrad. Stab. 218, 110565 (2023).
E. Murphy, Y. Liu, I. Matanovic, Y. Huang, A. Ly, S. Guo et al., Nature-Inspired Electrochemical Nitrate Reduction to Ammonia via a Cascade Mechanism over an Atomically Dispersed Bi-Metallic Fe- and Mo-N-C Catalyst, Nature Comm., 14, 4554 (2023).
I. Matanovic and Y. S. Kim, Electrochemical Phenyl Oxidation: A Limiting Factor of Oxygen Evolution Reaction in Water Electrolysis, Curr. Opin. In Electrochem. 38, 101218, (2023).
S. Tosoni, G. Di Liberto*, I. Matanovic*, G. Pacchioni, Modelling Single Atom Catalysts for Water Splitting and Fuel Cells: A Tutorial, J. of Power Sources, 556, 232492 (2023).
D. P. Leonard, M. Lehmann, J. Klein, I. Matanovic, C. Fujimoto, T. Saito, Y.-S. Kim, Phenyl-Free Polynorbornenes for Potential Anion Exchange Ionomers for Fuel Cells and Electrolyzers, Adv. Energy Mater. 13, 2203488 (2023).
T. Agarwal, I. Matanovic, S. Adhikari, E. Joo Park, S. Komini Babu, Y.S. Kim, D. Tian, C. Bae, O. Morales-Collazo, J. F. Brennecke, A. K. Prasad, S. G. Advani, A. Sievert, T. Hopkins, A. Park, and R. Borup, Mitigating cerium migration for perfluorosulfonic acid membranes using organic ligand, J. Power Sources, 554, 232320 (2023).
2022
S. Guo, Y. Liu, E. Murphy, A. Ly, M. Xu, I. Matanovic, X. Pan, P. Atanassov, Robust palladium hydride catalyst for electrocatalytic formate formation with high CO tolerance, Appl. Catal. B, 316, 121659 (2022).
E. Murphy, Y. Liu, I. Matanovic, S. Guo, P. Tieu, Y. Huang, Al. Ly, S. Das, I. Zenyuk, X. Pan, E. Spoerke, P. Atanassov, Highly Durable and Selective Fe- and Mo-Based Atomically Dispersed Electrocatalysts for Nitrate Reduction to Ammonia via Distinct and Synergized NO2- Pathways, ACS Catal. 12, 6651−6662 (2022).
K. H Lim, A.S Lee, V. Atanasov, J. Kerres, E.J. Park, S. Adhikari, S Maurya, L. D. Manriquez, J. Jung, C. Fujimoto, I. Matanovic, J.Jankovic, Z. Hu, H. Jia, Y. S. Kim, Protonated phosphonic acid electrodes for high power heavy-duty vehicle fuel cells, Nat. Energy 7 (3), 248-259 (2022).
2021
C. He, S. Sankarasubramanian, A. Ells, J. Parrondo, C. Gumeci, M. Kodali, I. Matanovic, A. K. Yadav, K. Bhattacharyya, N. Dale, P. Atanassov, V. K. Raman, Self-Anchored Platinum-Decorated Antimony-Doped-Tin Oxide as a Durable Oxygen Reduction Electrocatalyst, ACS Catalysis 11, 7006–7017 (2021).
R. Gutierrez, I. Matanovic, M. P. Polak, R. S. Johnson, D. Morgan, and E. Schamiloglu, First principles inelastic mean free paths coupled with Monte Carlo simulation of secondary electron yield of Cu-Ni, Cu-Zn, and Mo-Li, J. Appl. Phys. 127, 175105 (2021).
V. Atanasov, A. S. Lee, E. J. Park, S. Maurya, E. D. Baca, C. Fujimoto, M. Hibbs, I. Matanovic, J. Kerres, Y.-S. Kim, Synergistically integrated phosphonated poly(pentafluorostyrene)s for fuel cells, Nat. Mater. 20, 370-377 (2021).
J. Li, M. T. Sougrati, A. Zitolo, J. M. Ablett, I. C. Oğuz, T. Mineva, I. Matanovic, P. Atanassov, Y. Huang, I. Zenyuk, A. Di Cicco, K. Kumar, L. Dubau, F. Maillard, G. Dražić and F. Jaouen, Identification of durable and non-durable FeNx sites in Fe-N-C materials for proton exchange membrane fuel cells. Nat. Catal. 4, 10-19, (2021).
2020
Y. Liu, T. Asset, Y. Chen, E. Murphy, E. O. Potma, I. Matanovic, D. A. Fishman, P. Atanassov, Facile All-Optical Method for In Situ Detection of Low Amounts of Ammonia, iScience 23 (11), 101757 (2020)
I. Matanovic, K. Leung, S. J Percival, J. Eujin Park, P. Lu, P. Atanassov, S. Chou, Towards defect engineering in hexagonal MoS2 nanosheets for tuning hydrogen evolution and nitrogen reduction reactions, Appl. Mater. Today 21, 100812 (2020).
I. Matanovic, F. H. Garzon, Assessing Stability of Transition Metal Nitrides in Aqueous Environments: The Case of Molybdenum, Iron, Vanadium and Nickel Nitride, J. Electrochem. Soc. 167, 046518 (2020).
I. Matanovic, A. S. Lee, Y.-S. Kim, Energetics of Base-Acid Pairs for the Design of High-Temperature Fuel Cell Polymer Electrolytes, J. Phys. Chem. B 124, 7725-7734 (2020).
2019
T. Mineva, I. Matanovic, P. Atanassov, M.-T. Sougrati, L. Stievano, M. Clémancey, A. Kochem, J.-M. Latour, F. Jaouen, Understanding Active Sites in Pyrolyzed Fe–N–C Catalysts for Fuel Cell Cathodes by Bridging Density Functional Theory Calculations and 57Fe Mössbauer Spectroscopy, ACS Catal. 9, 10, 9359-9371 (2019).
T. Asset, S. T. Garcia, S. Herrera, N. Andersen, Y. Chen, E. J. Peterson, I. Matanovic, K. Artyushkova, J. Lee, S. D. Minteer, S. Dai, X. Pan, K. Chavan, S. Calabrese Barton, P. Atanassov, Investigating the Nature of the Active Sites for the CO2 Reduction Reaction on Carbon-Based Electrocatalysts, ACS Catal. 9, 7668-7678 (2019).
I. Matanovic, S. Maurya, E. J. Park, J. Y. Jeon, C. Bae, and Y. S. Kim, Adsorption of Polyaromatic Backbone Impacts the Performance of the Anion Exchange Membrane Fuel cells, Chem. Mater 31, 11, 4195-4204 (2019).
S. He, S. Sankarasubramanian, I. Matanovic, P Atanassov, V Ramani, Understanding the Oxygen Reduction Reaction Activity and Oxidative Stability of Pt supported on Nb‐doped‐TiO2, ChemSusChem 12, 3468-3480 (2019).
N. Andersen, K. Artuyushkova, I. Matanovic, M. S. Chavez, D. P. Hickey, S. Abdelloui, S. D. Minteer, ModularMicrofluidicPaper-BasedDevicesfor Multi-ModalCascadeCatalysis, ChemElectroChem 6, 2448-2455 (2019).
S. Kayak, A. Benavidez, I. Matanovic, F. Garzon, Thermochemical analysis of Mo-C-H system for synthesis of molybdenum carbides, Thermochim Acta 676, 27-32 (2019).
D. Li, I. Matanovic, A. S. Lee, C. Fujimoto, H. T. Chung, and Y. S. Kim, Phenyl Oxidation Limits the Durability of Alkaline Membrane Water Electrolyzer, ACS Appl. Mater. Interfaces 11, 9696−9701 (2019).
A. S. Lee, Y.-K. Choe, I. Matanovic, Y. S. Kim, The energetics of phosphoric acid interactions reveals a new acid loss mechanism, J. Mater. Chem. 7, 9867-9876 (2019).
N. Andersen, K. Artuyushkova, I. Matanovic, D. P. Hickey, S. D. Minteer, Spectro‐Electrochemical Microfluidic Platform for Monitoring Multi‐Step Cascade Reactions, ChemElectroChem 6 (1), 246-251 (2019).
2018
S. Mayura, S. Noh, I. Matanovic, E J. Park, C. Narvaez Villarrubia, J. Han, C. Bae, and Y. S. Kim, Rational design of polyaromatic ionomers for alkaline membrane fuel cells with >1 Wcm-2 power density, Energy Environ. Sci. 11, 3283-3291 (2018).
S. Maurya, J. H Dumont, C. N. Villarrubia, I. Matanovic, D. Li, Y. S. Kim, S. Noh, J. Han, C. Bae, H. A. Miller, C. H. Fujimoto, D. R. Dekel, Surface Adsorption Affects the Performance of Alkaline Anion- Exchange Membrane Fuel Cells, ACS Catalysis 8, 9429-9439 (2018).
D. Li, T. Chung, S. Maurya, I. Matanovic and Y. S. Kim, Impact of ionomer adsorption on alkaline hydrogen oxidation activity and fuel cell performance, Curr. Opin. in Electrochem. 12, 189-195 (2018).
Y. Chen, I. Matanovic, E. Weiler, P. Atanassov, K. Artyushkova, Mechanism of Oxygen Reduction Reaction on Transition Metal-Nitrogen-Carbon Catalysts: Establishing the Role of Nitrogen- containing Active Sites, ACS Appl. Energy Mater. 1, 5948-5953 (2018).
Y. C. Liu, I. Matanovic, D. P. Hickey, S. D. Minteer, P. Atanassov, S. C. Baron, Cascade Kinetics of an Artificial Metabolon by Molecular Dynamics and Kinetic Monte Carlo, ACS Catalysis 8, 7719-7726 (2018).
A. Kateryna, M. J. Workman, I. Matanovic, M. J. Dzara, C. Ngo, S. Pylypenko, A. Serov, P. Atanassov, Role of Surface Chemistry on Catalyst/Ionomer Interactions for Transition Metal-Nitrogen-Carbon Electrocatalysts, ACS Appl. Energy Mater. 1, 68-77 (2018).
T. Asset, M. Padilla, A. J. Roy, I. Matanovic, M. Chatenet, F. Millard, P. Atanassov, Design of Pd-Pb Catalysts for Glycerol and Ethylene Glycol Electrooxidation in Alkaline Medium, Electrocatalysis 9, 480-485 (2018).
I. Matanovic and F. Garzon, Nitrogen electroreduction and hydrogen evolution on cubic molybdenum carbide, a density functional theory study, Phys. Chem. Chem. Phys. 20, 14679-14687 (2018).
S. Rojas-Carbonell, K. Artyushkova, A. Serov, C. Santoro, I. Matanovic, P. Atanassov, Effect of pH on the Activity of Platinum Metal-Free Catalysts in the Oxygen Reduction Reaction, ACS Catalysis 8, 3041-3053 (2018) .
I. Matanovic, K. Artyushkova, and P. Atanassov, Understanding PGM-free catalysts by linking density functional theory calculations and structural analysis: Perspectives and challenges, Curr. Opin. In Electrochem. 9, 137-144 (2018).
Y. Chen, K. Artyushkova, S. Rojas-Carbonell, A. Serov, I. Matanovic, C. Santoro, T. Asset, P. Atanassov, Inhibition of Surface Chemical Moieties by Tris (hydroxymethyl) aminomethane: A Key to Understanding Oxygen Reduction on Iron–Nitrogen–Carbon Catalysts, ACS Applied Energy Materials 1 (50), 1942-1949 (2018).
2017
I. Matanovic, H. Taek Chung and Y.-S. Kim, Benzene Adsorption: A Significant Inhibitor for the Hydrogen Oxidation Reaction in Alkaline Conditions, J Phys Chem Lett 8 (19), 4918–4924 (2017).
D. Sebastián, A. Serov, I. Matanovic, K. Artyushkova, P. Atanassov, A.S. Aricò, V. Baglio, Insights on the extraordinary tolerance to alcohols of Fe-N-C cathode catalysts in highly performing direct alcohol fuel cells, Nano Energy 34, 195-204 (2017).
M. Kodali, C. Santoro, A. Serov, S. Kabir, K. Artyushkova, I. Matanovic, P. Atanassov, Air Breathing Cathodes for Microbial Fuel Cell using Mn-, Fe-, Co- and Ni-containing Platinum Group Metal-free Catalysts, Electrochimica Acta 231, 115-124 (2017).
K. Artyushkova, I. Matanovic, B. Halevi, P. Atanassov, Oxygen Binding to Active Sites of Fe-N-C ORR Electrocatalysts Observed by Ambient-Pressure XPS, J. Phys. Chem. C 121 (5), 2836-2843 (2017).
Perry III, S. Kabir, I. Matanovic, M. S. Chavez, K. Artyushkova, A. Serov and P. Atanassov, Novel Hybrid Catalyst for the Oxidation of Organic Acids: Pd Nanoparticles Supported on Mn-N-3D-graphene Nanosheets, ChemElectroChem 4, 1-10 (2017).
S. Babanova, I. Matanovic, J. Cornejo, O. Bretschger, K. Nealson, and P. Atanassov, Outer membrane cytochromes/flavin interactions in Shewanella spp.—A molecular perspective, Biointerphases 12, 021004 (2017).
S. Abdellaoui, M. Seow Chavez, I. Matanovic, A.Stephens, P. Atanassov, and S. Minteer, Hybrid molecular/enzymatic catalytic cascade for complete electro-oxidation of glycerol using a promiscuous NAD-dependent formate dehydrogenase from Candida boidinii, Chem. Commun. 53, 5368 (2017).
2016
I. Matanovic, K. Artyushkova, M. B. Strand, M. J. Dzara, S. Pylypenko, and P. Atanassov, Core Level Shifts of Hydrogenated Pyridinic and Pyrrolic Nitrogen in the Nitrogen-Containing Graphene-Based Electrocatalysts: In-Plane vs Edge Defects, J. Phys. Chem. C 120(51), 29225-29232 (2016).
T. Asset, A. Ray, T. Sakamoto, M. Padilla, I. Matanovic, K. Artyushkova, A. Serov, F. Mailllard, M. Chatenet, K. Asazawa, and P. Atanassov, Highly active and selective nickel molybdenum catalysts for direct hydrazine fuel cells, Electrochim Acta 2015, 420-426 (2016).
H. Taek Chung, Y.-K. Choe, U. Martinez, J. H. Dumont, A. Mohanty, C. Bae, I. Matanovic, Y.S. Kim, Effect of Organic Cations on Hydrogen Oxidation Reaction of Carbon Supported Platinum, J. Electrochem. Soc. 163, 14, F1503-F1509 (2016).
Taek Chung, U. Martinez, I. Matanovic, and Y-S. Kim, Cation–Hydroxide–Water Coadsorption Inhibits the Alkaline Hydrogen Oxidation Reaction, J. Phys. Chem. Lett. 7 (22), 4464–4469 (2016).
T. Reshetenko, A. Serov, K. Artyushkova, I. Matanovic, S. Stariha and P. Atanassov, Tolerance of non-platinum group metals cathodes proton exchange membrane fuel cells to air contaminants, J. Power Sources 324, 556 (2016).
A. Perry III, S. Babanova, I. Matanovic, A. Neumman, A. Serov, K. Artyushkova, and P. Atanassov, Evaluation of Pt Alloys as Electrocatalysts for Oxalic Acid Oxidation: A Combined Experimental and Computational Study, J. Electrochem. Soc. 163, H787-H795 (2016).
I. Matanovic, S. Babanova, M. S. Chavez, and P. Atanassov, Protein-Support Interactions for Rationally Designed Bilirubin Oxidase Based Cathode: a Computational Study, J. Phys. Chem. B 120, 3634–3641 (2016).
R. M. E. Hjelm, K. E. Garcia, S. Babanova, K. Artyushkova, I. Matanovic, S. Banta, and P. Atanassov, Functional Interfaces for Biomimetic Energy Harvesting: CNTs-DNA Matrix for Enzyme Assembly, Biochim. Biophys. Acta 1857, 612-620 (2016).
A. Serov, T. Asset, M. Padilla, I. Matanovic, U. Martinez, A. Roy, K. Artyushkova, M. Chatenet, F. Maillard, D. Bayer, C. Cremers and P. Atanassov, Highly-active Pd–Cu electrocatalysts for oxidation of ubiquitous oxygenated fuels, Appl. Catal. B 191, 76-85 (2016).
Other (selected)
D. P. Hickey, D. A. Schiedler, I. Matanovic, P V. Doan, P. Atanassov, S. D. Minteer, M. S. Sigman, Predicting Electrocatalytic Properties: Modeling Structure–Activity Relationships of Nitroxyl Radicals, J. Am. Chem. Soc. 137 (51), 16179 (2015).
S. Babanova, I. Matanovic, M. S. Chavez, and P. Atanassov, Role of Quinones in Electron Transfer of PQQ-Glucose Dehydrogenase Anodes – Mediation or Orientation Effect. J. Am. Chem. Soc. 137, 7754-7762 (2015).
A. Serov, N. I. Andersen, A. J. Roy, I. Matanovic, K. Artyushkova, P. Atanassov, CuCo2O4 ORR/OER Bi-Functional Catalyst: Influence of Synthetic Approach on Performance, J. Electrochem Soc. 4, F449-F454 (2015).
I. Matanovic, P. Atanassov, B. Kiefer, F. H. Garzon and N. Henson, Applicability of Density Functional Theory in Reproducing Accurate Vibrational Spectra of Surface Bound Species. J. Comput. Chem. 35, 1921-1929 (2014).
I. Matanovic, F. H. Garzon and Neil J. Henson: Electro-reduction of Nitrogen on Molybdenum Nitride: Structure, Energetics, and Vibrational Spectra from DFT. Phys. Chem. Chem. Phys. 16, 3014 (2014).
I. Matanovic, P. R. C. Kent, F. H. Garzon and Neil J. Henson, Density Functional Theory Study of Oxygen Reduction Activity on Ultrathin Platinum Nanotubes, J. Phys. Chem. C 116, 16499 (2012).
I. Matanovic, J. Belof, B. Space, K. Sillar, J. Sauer, J. Eckert and Z. Bačić, Hydrogen molecule in metal-organic framework-5: Quantum five-dimensional treatment of the coupled translation-rotation dynamics, J. Chem. Phys. 137, 014701 (2012).
I. Matanovic, F. H. Garzon, N. J. Henson, Theoretical Study of Electrochemical Processes on Pt-Ni Alloys, J. Phys. Chem. C 115, 10640–10650 (2011)
N. Došlić, V. Gomzi, M. Mališ, I. Matanovic, J. Eckert, Fluxionality of Hydrogen Ligans in Fe(H)2(H2)(PEtPh2)3, Inorg. Chem. 50 (21), 10740–10747 (2011).
I. Dokli, I. Matanovic, Z. Hameršak, Sulfur Ylide Promoted Synthesis of N-Protected Aziridines: A Combined Experimental and Computational Approach, Chem. Eur. J. 16, 11744–11752 (2010).
I. Matanovic, M. Xu, J. W. Moskowitz, J. Eckert, Z. Bačić: Methane molecule confined in the small and large cages of structure I clathrate hydrate: Quantum six-dimensional calculations of the coupled translation-rotation eigenstates, J. Chem. Phys. 131, 224308 (2009).
I. Matanovic, N. Došlić, B. R. Johnson: Generalized approximation to the reaction path: The formic acid dimmer case, J. Chem. Phys. 128 084103 (2008).
I. Matanovic, N. Došlić, O. Kühn, Ground and asymmetric CO stretch excited state tunneling splittings in the formic acid dimer, J. Chem. Phys. 127, 014309 (2007).