Publications – Nikolla Lab

2014-Current

Deconvoluting XPS Spectra of La-Containing Perovskites from First-Principles

Ariel Whitten, Dezhou Guo, Elif Tezel, Reinhard Denecke*, Eranda Nikolla*, and Jean-Sabin McEwen* JACS Au, 2024, 432, 115443

Deconvoluting experimentally obtained XPS spectra of realistic perovskite catalyst surfaces by employing first-principles-based density functional theory (DFT) calculations

Electrocatalysis in Solid Oxide Fuel Cells and Electrolyzers

Inyoung Jang, Juliana S. A. Carneiro*, Joshua O. Crawford, Yoon Jin Cho, Sahanaz Parvin, Diego A. Gonzalez-Casamachin, Jonas Baltrusaitis, Ryan P. Lively, and Eranda Nikolla*, Chem. Rev. 2024, 124, 13, 8233–8306

Versatile range of electrocatalytic materials utilized in oxygen-ion-conducting solid oxide electrochemical cells (O-SOCs) and proton-conducting solid oxide electrochemical cells (H-SOCs)

Effects of catalyst morphology on oxygen defects at Ni–CeO₂ interfaces for CO₂ methanation

Samiha Bhat, Miguel Sepúlveda-Pagán, Justin Borrero-Negrón, Jesús E. Meléndez-Gil, Eranda Nikolla*, and Yomaira J. Pagán-Torres*, Catal. Sci. Technol., 2024, 14, 3364-3373

Enhancing the concentration of oxygen defects, a vital component in CO₂ methanation, by tuning the Ni–CeO₂ catalyst morphology to enhance methane productivity.

Realizing synergy between Cu, Ga, and Zr for selective CO₂ hydrogenation to methanol.

Abdullah J. Al Abdulghani, Edgar E. Turizo-Pinilla, Maria J. Fabregas Angulo, Ryan H. Hagmann, Faysal Ibrahim, Jacob H. Jansen, TheodoreO. Agbi, Samiha Bhat, Miguel Sepúlveda-Pagán, Morgan O. Kraimer, Collin M. Queen, Zhuoran Sun, Eranda Nikolla, Yomaira J. Pagán-Torres*, Ive Hermans*, Applied Cat. B: Environmental, 2024, 355, 124198

Synthesis, characterization, and evaluation of a ternary CO₂ hydrogenation catalysts containing Cu, Ga, and Zr at different Ga/Zr ratios, with directed focus on the synergy imparted from the interfaces of the metallic components.

Trace Fe activates perovskite nickelate OER catalysts in alkaline media via redox-active surface Ni species formed during electrocatalysis

Liam Twight, Ally Tonsberg, Samji Samira, Kunal Velinkar, Kora Dumpert, Yingqing Ou, Le Wang, Eranda Nikolla, Shannon W. Boettcher*, 60th Commemorative Anniversary Issue of Journal of Catalysis, 2024, 432, 115443

Probing surface reconstruction and the associated formation of a new redox-active phase on LaNiO₃ particles, LaNiO₃ epitaxial films, and an analogous Ruddlesden-Popper phase, La₂NiO₄

Influence of the Mechanism of Discharge Product Formation on the Electrochemical Performance and Cyclability of Aprotic Na–O₂ Batteries

Kunal Kalpesh Velinkar, Alex Von Gunten, Jeffrey Greeley*, and Eranda Nikolla*, ACS Energy Lett. 2023, 8, 4555–4562

Evaluating discharge mechanisms occurring at the electrode/electrolyte interfaces and how this governs the overall stability of Na-O₂ systems

Elucidation of Parasitic Reaction Mechanisms at Interfaces in Na–O₂ Batteries

Alex Von Gunten, Kunal Velinkar, Eranda Nikolla*, and Jeffrey Greeley*, Chem. Mater. 2023, 35, 15, 5945–5952

Coupling density functional theory calculations with experimental observations to study the surface chemistry of the NaO₂ discharge product

Strategies for Designing the Catalytic Environment Beyond the Active site of Heterogeneous Supported Metal Catalysts

Samiha Bhat, Yomaira J. Pagán-Torres* & Eranda Nikolla*, Top. Catal., 2023.

Strategies for Designing the Catalytic Environment Beyond the Active Site of Heterogeneous Supported Catalysts. Approaches highlighted include: (i) alloys, (ii) inverted/encapsulated systems, and (iii) surface ligand bound metal nanoparticles.

Deciphering the Mechanistic Role of Individual Oxide Phases and Their Combinations in Supported Mn–Na₂WO₄ Catalysts for Oxidative Coupling of Methane

Yixiao Wang, Sagar Sourav, Jason P. Malizia, Brooklyne Thompson, Bingwen Wang, M. Ross Kunz, Eranda Nikolla, Rebecca Fushimi*, ACS Catal., 2022.

Temporal analysis of products (TAP) and steady-state experiments are conducted to understand the role of individual oxide phases and their combinations in supported Mn–Na₂WO₄/SiO₂ catalysts for Oxidative Coupling of Methane (OCM)

Electrochemical Reduction of CO₂ using Solid Oxide Electrolysis Cells: Insights into Catalysis by Nonstoichiometric Mixed Metal Oxides

Elif Tezel, Ariel Whitten, Genevieve Yarema, Reinhard Denecke*, Jean-Sabin McEwen*, Eranda Nikolla*, ACS Catal., 2022.

Performance of Nonstoichiometric Mixed Metal Oxides for Electrochemical Reduction of CO₂ to CO (inset schematic): Literature mining that targets Experimental and Theoretical techniques

Mechanistic pathways and role of oxygen in oxidative coupling of methane derived from transient kinetic studies

Wang, Y., Wang, B., Sourav, S., Batchu, R., Fang, Z., Kunz, M.R., Yablonsky, G., Nikolla, E., and Fushimi, R.*, Catalysis Today, 2022.

Transient Kinetic Studies on Oxidative Coupling of Methane

Supported Bifunctional Molybdenum Oxide-Palladium Catalysts for Selective Hydrodeoxygenation of Biomass-Derived Polyols and 1,4-Anhydroerythritol

Herrera, L.P. ‡, Freitas de Lima e Freitas, L. ‡, Albarracin-Suazo, S., MacQueen, B., Heyden, A., Lauterbach, J.A., Nikolla, E.*, and Pagán-Torres, Y.J.*, ACS Sustainable Chemistry & Engineering, 2022, 10, 18, 5719-5727.

Elucidating the Role of B-Site Cations toward CO₂ Reduction in Perovskite-Based Solid Oxide Electrolysis Cells

Tezel, E. ‡, Guo, D. ‡, Whitten, A., Yarema, G., Freire, M.A., Denecke, R.*, McEwen, J.S.* and Nikolla, E.*, Journal of The Electrochemical Society, 169, 034532, 2022.

‡ These authors contributed equally to this work

CO₂ Reduction in Perovskite-Based Solid Oxide Electrolysis Cells: Significance of B-Site Cations

Reactivity of Pd-MO₂ inverted catalytic systems for CO oxidation

Herrera, L.P. ‡, Freitas de Lima e Freitas, L. ‡, Hong, J., Hoffman, A.S., Bare, S.R., Nikolla, E.*, and Medlin, J.W.*, Catalysis Science & Technology, 2022, 12, 1476-1486.

‡ These authors contributed equally to this work

Reactivity of Pd-MO2 inverted catalytic systems for CO oxidation

Dynamic Surface Reconstruction Unifies the Electrocatalytic Oxygen Evolution Performance of Nonstoichiometric Mixed Metal Oxides

Samira, S. ‡, Hong, J. ‡, Camayang, J.C.A., Sun, K., Hoffman, A.S., Bare, S.R., and Nikolla, E.*, JACS Au, 2021, 1, 2224-2241.

‡ These authors contributed equally to this work

Insights on Dynamic Surface Reconstruction of Nonstoichiometric Mixed Metal Oxides and their Impacts

Modulating Catalytic Properties of Targeted Metal Cationic Centers in Nonstoichiometric Mixed Metal Oxides for Electrochemical Oxygen Reduction

Samira, S., Camayang, J. C. A., Patel, K., Gu, X. K.*, and Nikolla, E.*, ACS Energy Letters, 2021, 6, 1065-1072.

Tuning Catalytic Properties of Targeted Metal Cationic Centers in Nonstoichiometric Mixed Metal Oxides

Aprotic Alkali Metal-O₂ Batteries: Role of Cathode Surface-Mediated Processes and Heterogeneous Catalysis

Samira, S. ‡, Deshpande, S. ‡, Greeley, J.*, and Nikolla, E.*, ACS Energy Letters, 2021, 6, 665-674.

‡ These authors contributed equally to this work

Selective C-O Bond Cleavage of Bio-Based Organic Acids over Palladium Promoted MoO_x/TiO₂

Nacy, A.M. ‡, Freitas de Lima e Freitas, L. ‡, Albarracin-Suazo, S., Ruiz-Valentin, G., Roberts, C.A., Nikolla, E.*, and Pagan-Torres, Y.J.*, ChemCatChem, 2020, 12, 1-6.

‡ These authors contributed equally to this work

MoO_x-Pd catalysts supported on titania assist in selective C-O bond cleavage of Bio-Based Organic Acids (inset reaction schematic)

Electrochemical Reduction of CO₂ on Metal-Based Cathode Electrocatalysts of Solid Oxide Electrolysis Cells

Carneiro, J.S.A., Gu, X.K., Tezel, E., and Nikolla, E.*, Industrial & Engineering Chemistry Research, 2020, 59, 15884-15893.

Metal Based Cathode Electrocatalysts for Electrochemical Reduction of CO₂ to CO

Oxygen Evolution Electrocatalysis using Mixed Metal Oxides under Acidic Conditions: Challenges and Opportunities

Gu, X. K. ‡, Camayang, J. C. A. ‡, Samira, S., and Nikolla, E.*, Journal of Catalysis, 2020, 388, 130-140.

‡ These authors contributed equally to this work

Mixed Metal Oxides in OEE under Acidic Conditions

Tunable Catalytic Performance of Palladium Nanoparticles for H₂O₂ Direct Synthesis via Surface-Bound Ligands

Freitas de Lima e Freitas, L. ‡, Puértolas, B. ‡, Zhang, J., Wang, B., Hoffman, A.S., Bare, S.R., Pérez-Ramírez, J.*, Medlin, J.W.*, and Nikolla, E.*, ACS Catalysis, 2020, 10, 5202-5207.

‡ These authors contributed equally to this work

Surface-Bound Ligands on Pd Nanoparticles alter catalytic performance for Direct Synthesis of H₂O₂

Embracing the Complexity of Catalytic Structures: A viewpoint on the Synthesis of Nonstoichiometric Mixed Metal Oxides for Catalysis

Carneiro, J.S.A., Williams, J., Gryko, A., Herrera, L.P., and Nikolla, E.*, ACS Catalysis, 2020, 10, 516-527.

Nonstoichiometric Mixed Metal Oxide Synthesis (A Viewpoint)

Design Strategies for Efficient Nonstoichiometric Mixed Metal Oxide Electrocatalysts: Correlating Measurable Oxide Properties to Electrocatalytic Properties

Samira, S. ‡, Gu, X.K. ‡, and Nikolla, E.*, ACS Catalysis, 2019, 9, 10575-10586.

‡ These authors contributed equally to this work

Oxide properties to Electrocatalytic properties: Parallels drawn to Design Efficient Nonstoichiometric Mixed Metal Oxides

Non-Precious Metal Catalysts for Tuning Discharge Product Distribution at Solid-Solid Interfaces of Aprotic Li-O₂ Batteries

Samira, S., Deshpande, S., Roberts, C.A., Nacy, A.M., Kubal, J., Matesić, K., Oesterling, O., Greeley, J.P*., and Nikolla, E.*, Chemistry of Materials, 2019, 31, 7300-7310.

Reaction Paths for Hydrodeoxygenation of Furfuryl Alcohol at TiO₂/Pd Interfaces

Deo S., Medlin J. W., Nikolla E., and Janik M. J.*, Journal of Catalysis, 2019, 377, 28-40.

TiO₂/Pd interfaces: Reaction Paths for Hydrodeoxygenation of Furfuryl Alcohol

Nanoengineering of Solid Oxide Electrochemical Cell Technologies: An Outlook

Carneiro, J. and Nikolla, E.*, Nano Research, 2019, 12, 2081-2092.

Outlook: Nanoengineering Solid Oxide Electrochemical Cell Technologies

Electrochemical Conversion of Biomass-Based Oxygenated Compounds

Carneiro, J. and Nikolla, E.*, Annual Review of Chemical and Biomolecular Engineering, 2019, 10, 85-104.

110th Anniversary: Fabrication of Inverted Pd@TiO₂ Nanostructures for Selective Catalysis

Wang, B.‡, Zhang, J.‡, Herrera, L. P., Medlin, J. W.*, and Nikolla, E.*, Industrial & Engineering Chemistry Research, 2019, 58, 4032-4041.

‡ These authors contributed equally to this work

Pd@TiO₂ Encapsulated Nanostructures for Selective Catalysis

Electrochemical oxygen reduction on layered mixed metal oxides: Effect of B-site substitution

Samira, S. ‡, Camayang, J. C. A. ‡, Nacy, A. ‡, Diaz, M., Meira, S. M., and Nikolla, E.*, Journal of Electroanalytical Chemistry, 2019, 833, 490-497.

‡ These authors contributed equally to this work

Impact of B-site Substitution in Electrochemical Oxygen Reduction

Efficient Oxygen Electrocatalysis By Nanostructured Mixed Metal Oxides

Gu, X. K. ‡, Carneiro, J. S. ‡, Samira, S., Das, A., Ariyasingha, N., and Nikolla, E.*, Journal of the American Chemical Society, 2018, 140, 8128-8137.

‡ These authors contributed equally to this work

Nanostructured Mixed Metal Oxides Driving Oxygen Electrocatalysis

Oxygen Sponges for Electrocatalysis: Oxygen Reduction/Evolution on Nonstoichiometric, Mixed Metal Oxides

Gu, X. K. ‡, Samira, S. ‡, and Nikolla, E.* Chemistry of Materials, 2018, 30, 2860-2872.

‡ These authors contributed equally to this work

ORR or OER on Nonstoichiometric Mixed Metal Oxides

Control of interfacial acid-metal catalysis with organic monolayers

Zhang, J.; Ellis, L. D.; Wang, B.; Dzara, M. J.; Sievers, C.; Pylypenko, S.; Nikolla, E.; Medlin, J. W.*, Nature Catalysis, 2018, 1, 148-155.

Multicomponent Catalysts: Limitations and Prospects

Kumar, G.; Nikolla, E.*; Linic, S.*; Medlin, J. W.*; and Janik, M. J.*, ACS Catalysis, 2018, 8, 3202-3208.

Design of Ruddlesden –Popper Oxides with Optimal Surface Oxygen Exchange Properties for Oxygen Reduction and Evolution

Gu, X. K. and Nikolla, E.*, ACS Catalysis, 2017, 7, 5912-5920.

Directing Reaction Pathways through Controlled Reactant Binding at Pd–TiO₂ Interfaces

Zhang, J. ‡, Wang, B. ‡, Nikolla, E.*, and Medlin, J. W.*, Angewandte Chemie International Edition, 2017, 56, 6594-6598.

‡ These authors contributed equally to this work

Selective Catalysis Pathways using Encapsulated Catalysts (inset reaction mechanism studied)

First-Principles Study of High Temperature CO₂ Electrolysis on Transition Metal Electrocatalysts

Gu, X.K., Carneiro, J.S.A., and Nikolla, E.* Industrial & Engineering Chemistry Research, 2017, 56, 6155-6163.; Special issue “Class of Influential Researchers”.

Transition Metal Electrocatalysts for High Temp CO₂ Electrolysis: First-Principles Study

Advances in methane conversion processes

Wang, B., Albarracín-Suazo, S., Pagán-Torres, Y.J.*, & Nikolla, E.*, Catalysis Today, 2017, 285, 147-158.

Methane Conversion Processes: Advancements

Heterogeneous Electrocatalysts for CO₂ Reduction

Gu , X.K. ‡, Carneiro, J. S. A. ‡, and Nikolla, E., in Catalysis Vol. 29, Royal Society of Chemistry 2017.

‡ These authors contributed equally to this work

Heterogeneous Electrocatalysts: CO₂ Reduction

Well-defined Nanostructures for Catalysis by Atomic Layer Deposition

Pagán-Torres, Y.J., Lu, J., Nikolla, E., and Alba-Rubio, A.C., Morphological, compositional, and shape control of materials for catalysis, Volume 177. Editors: P. Fornasiero and M. Cargnello. Elsevier 2017. ISBN: 9780128050903.

Atomic Layer Deposition: Well-Defined Nanostructures

Optimizing Cathode Materials for Intermediate-Temperature Solid Oxide Fuel Cells (SOFCs): Oxygen Reduction on Nanostructured Lanthanum Nickelate Oxides

Carneiro J. S. A., Brocca R. A., Lucena, M. L. R. S., and Nikolla, E.*, Applied Catalysis B: Environmental, 2017, 200, 106-113

Oxygen Reduction on Nanostructured Lanthanum Nickelate Oxides

Electro- and Thermal-Catalysis by Layered, First Series Ruddlesden – Popper Oxides

Das A., Xhafa E., and Nikolla E.*, Catalysis Today, 2016, 277, 214-226.

Layered First Series Ruddlesden-Popper Oxides: Electro- and Thermal-Catalysis

Fundamental Insights into High-Temperature Water Electrolysis Using Ni-Based Electrocatalysts

Gu X.K. and Nikolla E.*, Journal of Physical Chemistry C, 2015, 119, 26980-26988.

Ni-Based Electrocatalysts: High temperature Water Electrolysis

Engineering Complex, Layered Metal Oxides: High-Performance Nickelate Oxide Nanostructures for Oxygen Exchange and Reduction

Ma X. ‡, Carneiro J. S. A. ‡, Gu X-K. ‡, Qin H., Xin H., Sun K., Nikolla E., ACS Catalysis, 2015, 5, 4013-4019.

‡ These authors contributed equally to this work

Nanostructured Nickelate Oxides as Efficient and Stable Cathode Electrocatalysts for Li–O₂ Batteries

Nacy A., Ma, X., and Nikolla, E.*, Topics in Catalysis, 2015, 58, 513-521.

Stable Cathode Electrocatalysts for Li-O₂ Batteries: Nanostructured Nickelate Oxides

Hydropyrolysis of Lignin Using Pd/HZSM-5

Jan, O., Marchand, R., Anjos, L. C. A., Seufitelli, G. V. S., Nikolla, E., and Resende, F. L. P.*, Energy & Fuels, 2015, 29, 1793-1800.

Pd/HZSM-5 towards Hysdopyrolysis of Lignin

Synthesis of shape-controlled La₂NiO₄₊_δ nanostructures and their anisotropic properties for oxygen diffusion

Ma X., Wang B., Xhafa E., Nikolla E.*, Chemical Communications, 2015, 51, 137-140.

Shape Controlled LNO Nanostructures: Associated Anisotropic Properties

Molybdenum-based polyoxometalates as highly active and selective catalysts for the epimerization of aldoses

Ju F., VanderVelde D., Nikolla E.*, ACS Catalysis, 2014, 4, 1358-1364.

Previous Publications (2002 – 2013)

Holewinski A., Xin H., Nikolla E., Linic S.*, “Identifying optimal active sites for heterogeneous catalysis by metal alloys based on molecular descriptors and electronic structure engineering”, Current Opinion in Chemical Engineering, 2013, 2, 312-319.
Xin H., Holewinski A., Schweitzer N., Nikolla E., Linic S.*, “Electronic Structure Engineering in Heterogeneous Catalysis: Identifying Novel Alloy Catalysts Based on Rapid Screening for Materials with Desired Electronic Properties”, Topics in Catalysis, 2012, 55, 376-390.
Bermejo-Deval R., Assary R. S., Nikolla E., Moliner M., Román-Leshkov Y., Hwang S., Palsdottir A., Silverman D., Lobo R., Curtiss L. A., Davis M.E.*, “Metalloenzyme-like Catalyzed Isomerizations of Sugars by Lewis Acid Zeolites”, PNAS, 2012, 109, 9727-9732.
Nikolla E., Román-Leshkov Y., Moliner M., Davis M.E., “One-Pot Synthesis” of HMF from Carbohydrates using Tin-Beta Zeolite”, ACS Catal.,1 (4), 2011.
Xin H., Schweitzer N., Nikolla E., Linic S., “Developing Relationships between the local chemical activity of alloy catalysts and physical characteristics of constituent metal elements”, J. Chem. Phys., 132, 111101, 2010.
Schweitzer N., Xin H., Nikolla E., Linic S., “Establishing relationships between the geometric structure and chemical reactivity of alloy catalysts based on their measured electronic structure”, Topics in Catalysis, 53, 483, 2010.
Nikolla E., Schwank J., Linic S., “Direct Electrochemical Oxidation of Hydrocarbon Fuels on SOFCs: Improved Carbon Tolerance of Ni Alloy Anodes”, J. Electrochem. Soc., 156, B1312, 2009.
Nikolla E., Schwank J., Linic S., “Comparative study of the kinetics of methane steam reforming on supported Ni and Sn/Ni alloy catalysts: The impact of the formation of Ni alloy on chemistry”, J. Catal., 263 (2), 220-227, 2009.
Nikolla E., Schwank J., Linic S., “Measuring and relating the electronic structure of non-model supported catalytic materials to their performance”, J. Amer. Chem. Soc, 31 (7), 2747-2754, 200.
Nikolla E., Holewinski A., Schwank J., Linic S., “Hydrocarbon Steam Reforming on Ni Alloys at Solid Oxide Fuel Cell conditions”, Catal. Today, 136 (3-4), 243-248, 2008.
Nikolla E., Schwank J., Linic S., “Promotion of the long-term stability of reforming catalysts by surface alloying”, J. Catal., 250 (1), 85-93, 2007.
Nikolla E., Holewinski A., Schwank J., Linic S., “Controlling Carbon Chemistry by Alloying: Carbon Tolerant Reforming Catalyst”, J. Am. Chem. Soc., 128 (35), 11354-11355, 2006.
Nikolla E., Harmon K. M., Armstrong., “Hydrogen bonding. Part 83. The bistroponehydrogen cation: preperation, IR, and MO study of a proton bridged dimer of tropone with a covalent three-center OHO bond”, J. Mol. Struct., 691 (1-3), 211-216, 2004.
Nikolla E., Harmon K. M., “Hydrogen bonding. Part 82. Thermodynamic and infrared study of dimethonium and pentamethonium halide dehydrates”, J. Mol. Struct., 657 (1-3), 117-123, 2003.
Nikolla E., Harmon K. M., “Ionic organoboranes. Part 9. Ab initio molecular orbital study of energy, structure, and frontier orbitals of the isomeric[7.7.10^x,y]ousenes”, J. Mol. Struct., 655 (2), 251-257, 2003.
Nikolla E., Harmon K. M., Benning N., “Hydrogen bonding. Part 81. Infrared and molecular orbital study of hydrate of N,N-dimethyl-1-adamanamine-hydrogen fluoride.” J. Mol. Struct., 642, 85-91, 2002.
Nikolla E., Harmon K. M., Drum D., “Hydrogen bonding. Part 80. Molecular orbital evaluation of CH hydrogen bonding in tetramethylammonium tetrahydroborate.” J. Mol. Struct., 616 (1-3), 181-186, 2002.