Publications

Displaying 101 - 150 of 629

Trends in oxygenate/hydrocarbon selectivity for electrochemical CO (2) reduction to C2 products

Hong-Jie Peng, Michael T Tang, Joakim Halldin Stenlid, Xinyan Liu, Frank Abild-Pedersen. Nature Communication, 13, 1-11. 2022.

Engineering metal–metal oxide surfaces for high-performance oxygen reduction on Ag–Mn electrocatalysts

Jose A. Zamora Zeledon, G.T. Kasun Kalhara Gunasooriya, Gaurav A. Kamat, Melissa E. Kreider, Micha Ben-Naim, McKenzie A. Hubert, Jaime E. Aviles Acosta, Jens K. Norskov, Michaela Burke Stevens, Thomas F. Jaramillo. Energy & Environmental Science, 15, 1611-1629. 2022.

Vernier template synthesis of molecular knots

Zoe Ashbridge, Elisabeth Kreidt, Lucian Pirvu, Fredrik Schaufelberger, Joakim Halldin Stenlid, Frank Abild-Pedersen, David A Leigh. Science, 375, 1035-1041. 2022.

Characterization of a Dynamic Y2Ir2O7 Catalyst during the Oxygen Evolution Reaction in Acid

McKenzie A. Hubert, Alessandro Gallo, Yunzhi Liu, Eduardo Valle, Joel Sanchez, Dimosthenis Sokaras, Robert Sinclair, Laurie A. King, Thomas F. Jaramillo. The Journal of Physical Chemistry C, 126, 1751-1760. 2022.

Overcoming Hurdles in Oxygen Evolution Catalyst Discovery via Codesign

Karun K. Rao, Yungchieh Lai, Lan Zhou, Joel A. Haber, Michal Bajdich, John M. Gregoire. ACS Chemistry of Materials, 34, 899-910. 2022.

Demonstration of photoreactor platform for on-sun unassisted photoelectrochemical hydrogen generation with tandem III–V photoelectrodes

Ben-Naim, Micha, Aldridge, Chase, Steiner, Myles A., Nielander, Adam C., Deutsch, Todd G., Young, James L., Jaramillo, Thomas F.. Chem Catalysis, 2, 195-209. 2022.

Colloidal Platinum–Copper Nanocrystal Alloy Catalysts Surpass Platinum in Low-Temperature Propene Combustion

Nadia Tahsini, An-Chih Yang, Verena Streibel, Baraa Werghi, Emmett D Goodman, Aisulu Aitbekova, Simon R Bare, Yuejin Li, Frank Abild-Pedersen, Matteo Cargnello. Journal of the American Chemical Society, 144, 1612-1621. 2022.

Microkinetic modeling of propene combustion on a stepped, metallic palladium surface and the importance of oxygen coverage

Verena Streibel, Hassan Aljama, An-Chih Yang, Tej S Choksi, Roel S Sánchez-Carrera, Ansgar Schäfer, Yuejin Li, Matteo Cargnello, Frank Abild-Pedersen. ACS Catalysis, 12, 1742-1757. 2022.

Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches

Gabriel L. S. Rodrigues, Elias Diesen, Johannes Voss, Patrick Norman, Lars G. M. Pettersson. Structural Dynamics, 9, 14101. 2022.

Engineering Surface Architectures for Improved Durability in III−V Photocathodes

Ben-Naim, Micha, Aldridge, Chase, Steiner, Myles A., Britto, Reuben J., Nielander, Adam C., King, Laurie A., Deutsch, Todd G., Young, James L., Jaramillo, Thomas F.. ACS Applied Materials and Interfaces. 2022.

Exploring Trends on Coupling Mechanisms toward C3 Product Formation in CO(2)R

Michael T Tang , Hong-Jie Peng, Joakim H Stenlid , Frank Abild-Pedersen. The Journal of Physical Chemistry C, 125, 26437-26447. 2021.

Assessing Density Functionals for Describing Methane Dissociative Chemisorption on Pt(110)-(2×1) Surface

Fenfei Wei, Egidius WF Smeets, Johannes Voss, Geert-Jan Kroes, Sen Lin, Hua Guo. Chinese Journal of Chemical Physics. 2021.

Modeling Potential-Dependent Electrochemical Activation Barriers: Revisiting the Alkaline Hydrogen Evolution Reaction

Jiang Li, Joakim Halldin Stenlid, Thomas Ludwig, Philomena Schlexer Lamoureux, Frank Abild-Pedersen. Journal of the American Chemical Society, 143, 19341-19355. 2021.

Designing a Zn–Ag Catalyst Matrix and Electrolyzer System for CO2 Conversion to CO and Beyond

Sarah Lamaison, David Wakerley, Frauke Kracke, Thomas Moore, Lan Zhou, Dong Un Lee, Lei Wang, McKenzie Hubert, Jaime E. Aviles Acosta, John M. Gregoire, Eric B. Duoss, Sarah Baker, Victor A. Beck, Alfred M. Spormann, Marc Fontecave, Christopher Hahn, Thomas F. Jaramillo. Advanced Materials, 2103963. 2021.

Efficient Screening of Bi–Metallic Electrocatalysts for Glycerol Valorization

Egon Campos dos Santos, Rafael B Araujo, Mikael Valter, German Salazar-Alvarez, Mats Johnsson, Michal Bajdich, Frank Abild-Pedersen, Lars Gunnar Moody Pettersson. Electrochimica Acta, 398, 139283. 2021.

Identifying higher oxygenate synthesis sites in Cu catalysts promoted and stabilized by atomic layer deposited Fe2O3

Arun S. Asundi , Sindhu S. Nathan , Jiyun Hong , Adam S. Hoffman , Makenna Pennel , Simon R. Bare, Stacey F. Bent. Journal of catalysis, 404, 210-223. 2021.

Improving intrinsic oxygen reduction activity and stability: Atomic layer deposition preparation of platinum-titanium alloy catalysts

Yongmin Kim, Shicheng Xu, Joonsuk Park, Anup Lal Dadlani, Olga Vinogradova, Dilip Krishnamurthy, Marat Orazov, Dong Un Lee, Sam Dull, Peter Schindler, Hyun Soo Han, Zhaoxuan Wang, Tanja Graf, Thomas D. Schladt, Jonathan E. Mueller, Ritimuka Sarangi, Ryan Davis, Ventkatasubramanian Viswanathan, Thomas F. Jaramillo, Drew C. Higgins, Fritz B. Prinz. Applied Catalysis B: Environmental, 300. 2022.

Monolayer support control and precise colloidal nanocrystals demonstrate metal-support interactions in heterogeneous catalysts

Emmett D. Goodman , Arun S. Asundi , Adam S. Hoffman , Karen C. Bustillo , Jonathan F. Stebbins , Simon R. Bare, Stacey F. Bent, Matteo Cargnello. Advanced Materials, 33, 2104533. 2021.

Combining artificial intelligence and physics-based modeling to directly assess atomic site stabilities: from sub-nanometer clusters to extended surfaces

Philomena Schlexer Lamoureux , Verena Streibel, Tej Choksi, Frank Abild-Pedersen. Physical Chemistry Chemical Physics, 23, 22022-22034. 2021.

Chemical Modifications of Ag Catalyst Surfaces with Imidazolium Ionomers Modulate H2 Evolution Rates during Electrochemical CO2 Reduction

David M. Koshy, Sneha A. Akhade, Adam Shugar, Kabir Abiose, Jingwei Shi, Siwei Liang, James S. Oakdale, Stephen E. Weitzner, Joel B. Varley, Eric B. Duoss, Sarah E. Baker, Christopher Hahn, Zhenan Bao, Thomas F. Jaramillo. Journal of the American Chemical Society, 143, 14712-14725. 2021.

Origin of Enhanced Water Oxidation Activity in an Iridium Single Atom Anchored on NiFe Oxyhydroxide Catalyst

Xueli Zheng, Jing Tang, Alessandro Gallo, Jose A. Garrido Torres, Xiaoyun Yu, Constantine J. Athanitis, Emily May Been, Peter Ercius, Haiyan Mao, Sirine C. Fakra, Chengyu Song, Ryan C. Davis, Jeffrey A. Reimer, John Vinson, Michal Bajdich, Yi Cui. Proceedings of the National Academy of Sciences. 2021.

The Role of Roughening to Enhance Selectivity to C2+ Products during CO2 Electroreduction on Copper

Joseph A Gauthier, Joakim Halldin Stenlid, Frank Abild-Pedersen , Martin Head-Gordon , Alexis T Bell. ACS Energy Letters, 6, 3252-3260. 2021.

Guiding the Catalytic Properties of Copper for Electrochemical CO2 Reduction by Metal Atom Decoration

Yusaku F. Nishimura, Hong-Jie Peng, Stephanie Nitopi, Michal Bajdich, Lei Wang, Carlos G. Morales-Guio, Frank Abild-Pedersen, Thomas F. Jaramillo, Christopher Hahn. ACS Appl. Mater. Interfaces, 13, 52044-52054. 2021.

MCML: combining physical constraints with experimental data for a multi-purpose meta-generalized gradient approximation

Kris Brown, Yasheng Maimaiti, Kai Trepte, Thomas Bligaard, Johannes Voss. Journal of Computational Chemistry. 2021.

Electrolyte-Guided Design of Electroreductive CO Coupling on Copper Surfaces

Akhade, Sneha A., Jayathilake, Buddhinie S., Weitnzer, Stephen E., Eshelman, Hannah V., Hamilton, Julie, Feaster, Jeremy T., Wakerley, David W., Wang, Lei, Lamaison, Sarah, Lee, Dong Un, Hahn, Christopher, Jaramillo, Thomas F., Duoss, Eric B., Baker, Sarah E., Varley, Joel B.. ACS Applied Energy Materials, 4, 8201-8210. 2021.

Dynamics and Hysteresis of Hydrogen Intercalation and Deintercalation in Palladium Electrodes: A Multimodal In Situ X-ray Diffraction, Coulometry, and Computational Study

Alan T. Landers, Hongjie Peng, David M. Koshy, Soo Hong Lee, Jeremy T. Feaster, John C. Lin, Jeffrey W. Beeman, Drew Higgins, Junko Yano, Walter S. Drisdell, Ryan C. Davis, Michal Bajdich, Frank Abild-Pedersen, Apurva Mehta , Thomas F. Jaramillo, Christopher Hahn. Chemistry of Materials , 33, 5872-5884. 2021.

Achieving industrial ammonia synthesis rates at near-ambient conditions through modified scaling relations on a confined dual site

Tao Wang, Frank Abild-Pedersen. Proceedings of the National Academy of Sciences, 118, e2106527118. 2021.

Probing the Effects of Acid Electrolyte Anions on Electrocatalyst Activity and Selectivity for the Oxygen Reduction Reaction

Zamora Zeledon, Jose A., Kamat, Gaurav Ashish, Gunasooriya, G. T. Kasun, Norskov, Jens K., Stevens, Michaela Burke, Jaramillo, Thomas F.. ChemElectroChem, 8, 2467-2478. 2021.

Ultrafast Adsorbate Excitation Probed with Subpicosecond-Resolution X-Ray Absorption Spectroscopy

Elias Diesen, Hsin-Yi Wang, Simon Schreck, Matthew Weston, Hirohito Ogasawara, Jerry LaRue, Fivos Perakis, Martina Dell’Angela, Flavio Capotondi, Luca Giannessi, Emanuele Pedersoli, Denys Naumenko, Ivaylo Nikolov, Lorenzo Raimondi, Carlo Spezzani, Martin Beye, Filippo Cavalca, Boyang Liu, Jörgen Gladh, Sergey Koroidov, Piter S. Miedema, Roberto Costantini, Tony F. Heinz, Frank Abild-Pedersen, Johannes Voss, Alan C. Luntz, Anders Nilsson. Physical Review Letters, 127, 16802. 2021.

Insights and comparison of structure–property relationships in propane and propene catalytic combustion on Pd-and Pt-based catalysts

An-Chih Yang , Verena Streibel , Tej S Choksi , Hassan Aljama , Baraa Werghi , Simon R Bare , Roel S Sánchez-Carrera, Ansgar Schäfer , Yuejin Li , Frank Abild-Pedersen , Matteo Cargnello. Journal of Catalysis, 401, 89-101. 2021.

Size-controlled nanocrystals reveal spatial dependence and severity of nanoparticle coalescence and Ostwald ripening in sintering phenomena

Emmett D. Goodman, Evan Z. Carlson, Elisabeth M. Dietze, Nadia Tahsini, Arun Johnson, Aisulu Aitbekova, Temy Nguyen Taylor, Philipp N. Plessow and Matteo Cargnello. Nanoscale, 13, 930-938. 2021.

Direct Integration of Strained-Pt Catalysts into Proton-Exchange-Membrane Fuel Cells with Atomic Layer Deposition

Xu, Shicheng, Wang, Zhaoxuan, Dull, Sam, Liu, Yunzhi, Lee, Dong Un, Lezama Pacheco, Juan S., Orazov, Marat, Vullum, Per Erik, Dadlani, Anup Lai, Vinogradova, Olga, Schindler, Peter, Tan, Qizhan, Schladt, Thomas D., Mueller, Jonathan E., Kirsch, Sebastian, Huebner, Gerold, Higgins, Drew, Torgensen, Jan, Viswanathan, Venkatasubramanian, Jaramillo, Thomas Francisco, Prinz, Fritz B.. Advanced Materials, 33. 2021.

Bimetallic effects on Zn-Cu electrocatalysts enhance activity and selectivity for the conversion of CO2 to CO

Lei Wang , Hongjie Peng, Sarah Lamaison, Zhifu Qi, David M. Koshy, Michaela Burke Stevens, David Wakerley, José A. Zamora Zeledón, Laurie A. King, Lan Zhou, Yungchieh Lai, Marc Fontecave, John Gregoire, Frank Abild-Pedersen, Thomas F. Jaramillo, Christopher Hahn. Chemical Catalysis. 2021.

Theory-Aided Discovery of Metallic Catalysts for Selective Propane Dehydrogenation to Propylene

Tao Wang, Xinjiang Cui, Kirsten T Winther, Frank Abild-Pedersen, Thomas Bligaard, Jens K Nørskov. ACS Catalysis, 11, 6290-6297. 2021.

Phosphate-passivated mordenite for tandem-catalytic conversion ofsyngas to ethanol or acetic acid

Upham, D. Chester, Orazov, Marat, Jaramillo, Thomas F.. Journal of Catalysis, 39, 132-141. 2021.

Isolating the Electrocatalytic Activity of a Confined NiFe Motif within Zirconium Phosphate

Joel Sanchez , Michaela Burke Stevens , Alexandra R. Young, Alessandro Gallo , Meng Zhao , Yunzhi Liu , Mario V. Ramos‐Garcés , Micha Ben‐Naim , Jorge L. Colón , Robert Sinclair, Laurie A. King, Michal Bajdich, Thomas F. Jaramillo. Adv. Energy Mater., 2003545. 2021.

Bridging thermal catalysis and electrocatalysis: Catalyzing CO2 conversion with carbon‐based materials

David M. Koshy, Sindhu Nathan, Arun Asundi, Ahmed Abdellah, Samuel Dull, David Cullen, Drew Higgins, Zhenan Bao, Stacey Bent, Thomas F. Jaramillo. Angewandte Chemie International Edition. 2021.

Epitaxial Stabilization and Oxygen Evolution Reaction Activity of Metastable Columbite Iridium Oxide

Kyuho Lee, Raul A. Flores, Yunzhi Liu, Bai Yang Wang, Yasuyuki Hikita, Robert Sinclair, Michal Bajdich, Harold Y. Hwang. ACS Applied Energy Materials, 4, 3074-3082. 2021.

Identification of earth-abundant materials for selective dehydrogenation of light alkanes to olefins

Tao Wang, Guomin Li, Xinjiang Cui, Frank Abild-Pedersen. Proceedings of the National Academy of Sciences, 118, e2024666118. 2021.

Operando Study of Thermal Oxidation of Monolayer MoS2

Sangwook Park, Angel T. Garcia-Esparza, Hadi Abroshan, Baxter Abraham, John Vinson, Alessandro Gallo, Dennis Nordlund, Joonsuk Park, Taeho Roy Kim, Lauren Vallez, Roberto Alonso-Mori, Dimosthenis Sokaras, Xiaolin Zheng. Advanced Science, 2002768. 2021.

Impurity control in catalyst design: The role of sodium in promoting and stabilizing Co and Co2C for syngas conversion

Arun S. Asundi , Adam S. Hoffman , Sindhu S. Nathan, Alexey Boubnov , Simon R. Bare, Stacey F. Bent. ChemCatChem, 13, 1186-1194. 2021.

Advanced manufacturing for electrosynthesis of fuels and chemicals from CO2

Daniel Corral, Jeremy T. Feaster, Sadaf Sobhani, Joshua R. DeOtte, Dong Un Lee, Andrew A. Wong, Julie Hamilton, Victor A. Beck, Amitava Sarkar, Christopher Hahn, Thomas F. Jaramillo, Sarah E. Baker, Eric B. Duoss. Energy and Environmental Science. 2021.

A refraction correction for buried interfaces applied to in situ grazing-incidence X-ray diffraction studies on Pd electrodes

Alan T. Landers, David M. Koshy, Soo Hong Lee, Walter S. Drisdell, Ryan C. Davis, Christopher Hahn, Apurva Mehta, Thomas F. Jaramillo. Journal of Synchrotron Radiation, 28, 919-923. 2021.

Tuning the electronic structure of Ag-Pd alloys to enhance performance for alkaline oxygen reduction

José A. Zamora Zeledón, Michaela Burke Stevens, G. T. Kasun Kalhara Gunasooriya, Alessandro Gallo, Alan T. Landers, Melissa E. Kreider, Christopher Hahn, Jens K. Nørskov, Thomas F. Jaramillo. Nature Communication, 12, 1-9. 2021.

Understanding Support Effects of ZnO-Promoted Co Catalysts for Syngas Conversion to Alcohols Using Atomic Layer Deposition

Sindhu S. Nathan, Arun S. Asundi , Joseph A. Singh , Adam S. Hoffman , Alexey Boubnov , Jiyun Hong , Simon R. Bare, Stacey F. Bent. ChemCatChem, 13, 770-781. 2021.

Oxidation State and Surface Reconstruction of Cu under CO2 Reduction Conditions from In Situ X-ray Characterization

Soo Hong Lee, John C. Lin, Maryam Farmand, Alan T. Landers, Jeremy T. Feaster, Jaime E. Avilés Acosta, Jeffrey W. Beeman, Yifan Ye, Junko Yano, Apurva Mehta, Ryan C. Davis, Thomas F. Jaramillo, Christopher Hahn, Walter S. Drisdell. Journal of the American Chemical Society, 143, 588-592. 2021.

Understanding Selectivity in CO2 Hydrogenation to Methanol for MoP Nanoparticle Catalysts Using In Situ Techniques

Melis S. Duyar, Alessandro Gallo , Samuel K. Regli, Jonathan L. Snider, Joseph A. Singh , Eduardo Valle, Joshua McEnaney, Stacey F. Bent , Magnus Rønning, Thomas F. Jaramillo. Catalysts, 11, 143. 2021.

CO as a Probe Molecule to Study Surface Adsorbates during Electrochemical Oxidation of Propene

Anna Winiwarter, Michael J. Boyd , Soren B. Scott, Drew C. Higgins , Brian Seger, Ib Chorkendorff, Thomas F. Jaramillo. ChemElectroChem, 8, 250-256. 2021.

Tuning electrochemially driven surface transformation in atomically flat LaNiO3 thin films for enhanced water electrolysis

Christoph Baeumer, Jiang Li, Qiyang Lu, Allen Yu-Lun Liang, Lei Jin, Henrique Perin Martins, Tomáš Duchoň, Maria Glöß, Sabrina M. Gericker, Marcus A. Wohlgemuth, Margret Giesen, Emily E. Penn, Regina Dittmann, Felix Gunkel, Rainer Waser, Michal Bajdich, Slavomír Nemšák, J. Tyler Mefford , William C. Chueh . Nature Materials

Bottom-Up Fabrication of Oxygen Reduction Electrodes with Atomic Layer Deposition for High-Power-Density PEMFCs

Samuel M. Dull, Shicheng Xu, Timothy Goh, Dong Un Lee, Drew Higgins, Marat Orazov, David M. Koshy, Per Erik Vullum, Sebastian Kirsch, Gerold Huebner, Jan Torgersen, Thomas F. Jaramillo, Fritz Prinz. Cell Reports Physical Science, 2

Center for Interface Science and Catalysis

Publications