Publications

Displaying 1 - 50 of 629

Stabilization of molybdenum in CMP: Operando insights into distinct inhibitor adsorption pathways

Seung-Hoon Choi, Dong Un Lee, Melissa E. Kreider, Adam C. Nielander, Michaela Burke Stevens, Donggeun Park, Ilhwa Hong, Ki-Hyun Park, Kiho Bae, Hoyoung Kim, Bo Un Yoon, Sun Jung Kim, Thomas F. Jaramillo, Kangchun Lee. Journal of Electroanalytical Chemistry, 996, 119377. 2025.

Crossing the Oxo-Peroxo Wall for Selective Electrochemical Epoxidation

Pooja Basera, Shyama Charan Mandal, Frank Abild-Pedersen, Michal Bajdich. Advanced Science. 2025.

Bridging Artificial Intelligence with Photovoltaics

Sang-Won Lee, Seungtae Lee, Solhee Lee, Ji-Seong Hwang, Wonwook Oh, Kirsten Winther, Dong Un Lee, Donghwan Kim, Adam C. Nielander, Thomas F. Jaramillo, Yoonmook Kang, Hae-Seok Lee. Cell Reports Physical Science, 6. 2025.

A research database for experimental electrocatalysis: Advancing data sharing and reusability

Ruchika Mahajan, Ashton M. Aleman, Colin F. Crago, Suman Bhasker-Ranganath, Melissa E. Kreider, Jose A. Zamora Zeledon, Johanna Schroeder, Gaurav A. Kamat, McKenzie A. Hubert, Adam C. Nielander, Thomas F. Jaramillo, Michaela Burke Stevens, Johannes Voss, Kirsten T. Winther. The Journal of Chemical Physics. 2025.

Spin State Modulation in M–N–C Single-Atom Catalysts for Oxygen Electrocatalysis

Hyeonjung Jung, Roman Fanta, Md Delowar Hossain, Michal Bajdich. ACS Catalysis. 2005.

Titanium-, Nitrogen-Doped Carbon Flowers Catalyze Electrochemical Nitrate Reduction Reaction to Ammonia

Matthew J Liu, Carlos A Fernández Otero, Diego Uruchurtu Patino, Huaxin Gong, Md Delowar Hossain, Jesse E Matthews, Kindle S Williams, Alfred Vargas, Michael J Zachman, Adam S Hoffman, Dennis Nordlund, Michal Bajdich, Simon R Bare, Michaela Burke Stevens, Thomas F Jaramillo, Zhenan Bao, William A Tarpeh. 2025.

Controlling Chloride Crossover in Bipolar Membrane Water Electrolysis

Maria F. Rochow, Daniela H. Marin, Harrison J. Cassady, Ryan T. Hannagan, Katherine Yan, Joseph T. Perryman, Adam C. Nielander, Thomas F. Jaramillo, Michael A. Hickner. ACS Electrochemistry, 1, 1812-1820. 2025.

Off-Equilibrium Reactivity of Boron-Enriched Metal Diboride Surfaces in Electroreduction Conditions

Zisheng Zhang, Frank Abild-Pedersen. ACS Catalysis, 15, 12340-12350. 2025.

Chemistry of Materials Underpinning Photoelectrochemical Solar Fuel Production

Schichtl, Zebulon G., Carvalho, O. Quinn, Tan, Jeiwan, Saund, Simran S., Ghoshal, Debjit, Wilder, Logan M., Gish, Melissa K., Nielander, Adam C., Burke Stevens, Michaela, Greenaway, Ann L.. Chemical Reviews, 125, 4768-4839. 2025.

The Role of Cu3+ in the Oxygen Evolution Activity of Copper Oxides

Pooja Basera, Yang Zhao, Angel T. Garcia-Esparza, Finn Babbe, Neha Bothra, John Vinson, Dimosthenis Sokaras, Junko Yano, Shannon W. Boettcher, Michal Bajdich. JACS. 2025.

CO2 Oxidative Ethane Dehydrogenation on CeO2/SiO2-Supported NiFe3 Catalysts

Rachel Spurlock, Ezgi Erdem, Sang-Won Lee, Junjie Chen, Alessandro Gallo, Adam C. Nielander, Thomas F. Jaramillo. ChemCatChem, 17, e202402030. 2025.

Active Sites on Titanium and Hydrogen-Covered Transition Metal Surfaces for Nitrate Reduction

Michael T Tang, Joakim Halldin Stenlid, Jinyu Guo, Elizabeth Corson, William Tarpeh, Frank Abild-Pedersen. ACS Electrochemistry, 1, 607-616. 2025.

In Situ Neutron Reflectometry Reveals the Interfacial Microenvironment Driving Electrochemical Ammonia Synthesis

Valerie A. Niemann, Mathieu Doucet, Peter Benedek, Niklas H. Deissler, Jon Bjarke Valbaek, Sang-Won Lee, Isabela Rios Amador, Wrayzene L. Willoughby, Ib Chorkendorff, Adam C. Nielander, Willam A. Tarpeh, Thomas F. Jaramillo. Journal of the American Chemical Society, 147, 12469-12480. 2025.

Multimodal In Situ Characterization Uncovers Unexpected Stability of a Cobalt Electrocatalyst for Acidic Sustainable Energy Technologies

Ashton M. Aleman, Colin F. Crago, Gaurav A. Kamat, Aniket S. Mule, Jaime E. Aviles Acosta, Jesse E. Matthews, Nathaniel Keyes, Ryan T. Hannagan, Adam C. Nielander, Michaela Burke Stevens, Thomas F. Jaramillo. Journal of the American Chemical Society, 147, 10309-10319. 2025.

Nitrate Reduction Modeling under Acidic Conditions with Late Transition Metals

Michael T Tang, Joakim Halldin Stenlid, Jinyu Guo, Elizabeth Corson, William Tarpeh, Frank Abild-Pedersen. ACS Catalysis, 15, 4489-4498. 2025.

Facet-Dependent Catalytic Selectivity for Electrochemical Reduction of CO on Copper

Viswanath Pasumarthi , Michal Bajdich, Frank Abild-Pedersen. J. Phys. Chem C.. 2025.

Resolution of Selectivity Steps of CO Reduction Reaction on Copper by Quantum Monte Carlo

Roman Fanta, Michal Bajdich. The Journal of Physical Chemistry Letters

Electrochemical formation of bis (fluorosulfonyl) imide-derived solid-electrolyte interphase at Li-metal potential

Weilai Yu, Kuan-Yu Lin, David T Boyle, Michael T Tang, Yi Cui, Yuelang Chen, Zhiao Yu, Rong Xu, Yangju Lin, Guangxia Feng, Zhuojun Huang, Lukas Michalek, Weiyu Li, Stephen J Harris, Jyh-Chiang Jiang, Frank Abild-Pedersen, Jian Qin, Yi Cui, Zhenan Bao. Nature Chemistry, 17, 246-255. 2025.

On-line Inductively Coupled Plasma Mass Spectrometry Reveals Material Degradation Dynamics of Au and Cu Catalysts during Electrochemical CO2 Reduction

Katherine Yan, Sang-Won Lee, Kyra M. K. Yap, Aniket S. Mule, Ryan T. Hannagan, Jesse E. Matthews, Gaurav A. Kamat, Dong Un Lee, Michaela Burke Stevens, Adam C. Nielander, Thomas F. Jaramillo. Journal of the American Chemical Society, 147, 4079-4088. 2025.

Operando Characterization of Fe in Doped Nix(Fe1–x)OyHz Catalysts for Electrochemical Oxygen Evolution

Joakim Halldin Stenlid, Mikaela Görlin, Oscar Diaz-Morales, Bernadette Davies, Vladimir Grigorev, David Degerman, Aleksandr Kalinko, Mia Börner, Mikhail Shipilin, Matthias Bauer, Alessandro Gallo, Frank Abild-Pedersen, Michal Bajdich, Anders Nilsson, Sergey Koroidov. JACS

Temperature-dependent solid electrolyte interphase reactions drive performance in lithium-mediated nitrogen reduction to ammonia

Peter Benedek, Yamile E. Cornejo-Carrillo, Alden H. O'Rafferty, Valerie A. Niemann, Sang-Won Lee, Eric J. McShane, Matteo Cargnello, Adam C. Nielander, Thomas F. Jaramillo. Joule, 9, 101810. 2025.

Structural Transformation and Degradation of Cu Oxide Nanocatalysts during Electrochemical CO2 Reduction

Soo Hong Lee, Jaime E. Aviles Acosta, Daewon Lee, David M. Larson, Hui Li, Junjie Chen, Jinyoung Lee, Ezgi Erdem, Dong Un Lee, Sarah J. Blair, Alessandro Gallo, Haimei Zheng, Adam C. Nielander, Christopher J. Tassone, Thomas F. Jaramillo, Walter Drisdell. Journal of the American Chemical Society. 2025.

Coupling Anionic Oxygen Redox with Selenium for Stable High-Voltage Sodium Layered Oxide Cathodes

Zhichen Xue, Neha Bothra, Dechao Meng, Dechao Meng, Guangxia Feng, Yuqi Li, Tony Cui, Hongchang Hao, Sang‐Jun Lee, Yijin Liu, Michal Bajdich, Jagjit Nanda, Xueli Zheng. Advanced Functional Materials

Bidentate Lewis Base Ligand-Mediated Surface Stabilization and Modulation of the Electronic Structure of CsPbBr3 Perovskite Nanocrystals

Md Samim Hassan, Pooja Basera, Bilawal Khan, Arsenii S Portniagin, Kunnathodi Vighnesh, Ye Wu, Daniil A Rusanov, Maria Babak, Jr-Hau He, Michal Bajdich, Andrey L Rogach. JACS. 2025.

Operando Surface-Enhanced Infrared Spectroscopy Connects Interfacial Dynamics with Reaction Kinetics During Electrochemical CO2 Reduction on Copper

Jesse E. Matthews, Jaime E. Avilés Acosta, Sang-Won Lee, Dongrak Oh, Tiras Y. Lin, Kyra M. K. Yap, Junjie Chen, Ji-Wook Jang, Dong Un Lee, Adam C. Nielander, Thomas F. Jaramillo. ACS Catalysis, 15, 381-391. 2025.

Metal-Independent Correlations for Site-Specific Binding Energies of Relevant Catalytic Intermediates

Shyama C Mandal, Frank Abild-Pedersen. JACS Au, 4, 4790-4798. 2024.

Electrodialysis and nitrate reduction (EDNR) to enable distributed ammonia manufacturing from wastewaters

Jinyu Guo, Matthew J. Liu, Chloe Laguna, Dean M. Miller, Kindle S. Williams, Brandon D. Clark, Carolina Muñoz, Sarah J. Blair, Adam C. Nielander, Thomas F. Jaramillo, William A. Tarpeh. Energy and Environmental Science. 2024.

Addressing challenges for operating electrochemical solar fuels technologies under variable and diurnal conditions

Kyra M. K. Yap, Sol A Lee, Tobias A. Kistler, Darci K. Collins, Emily L. Warren, Harry A. Atwater, Thomas F. Jaramillo, Chengxiang Xiang, Adam C. Nielander. Frontiers in Energy Research, 12. 2024.

In situ formation of liquid crystal interphase in electrolytes with soft templating effects for aqueous dual-electrode-free batteries

Yuqi Li, Xueli Zheng, Evan Z. Carlson, Xin Xiao, Xiwen Chi, Louisa C. Greenburg, Ge Zhang, Elizabeth Zhang, Chenwei Liu, Yufei Yang, Mun Sek Kim, Guangxia Feng, Pu Zhang, Hance Su, Xun Guan, Jiawei Zhou, Yecun Wu, Zhichen Xue, Weiyu Li, Michal Bajdich, Yi Cui. Nature Energy. 2024.

CO2 Conversion to Butene via a Tandem Photovoltaic–Electrochemical/Photothermocatalytic Process: A Co-Design Approach to Coupled Microenvironments

Kyra M. K. Yap, Aisulu A. Aitbekova, Matthew Salazar, Tobias A. Kistler, Melane Rodriguez Pabon, Magel P. Su, Nicholas B. Watkins, Sang-Won Lee, Peter Agbo, Adam Z. Weber, Jonas C. Peters, Theodor Agapie, Adam C. Nielander, Harry A. Atwater, Thomas F. Jaramillo, Alexis T. Bell. ACS Energy Letters, 4369-4377. 2024.

Density Functional Tight-Binding Models for Band Structures of Transition-Metal Alloys and Surfaces across the d-Block

Filippo Balzaretti, Johannes Voss. Journal of Chemical Theory and Computation. 2024.

Oxidizing Role of Cu Cocatalysts in Unassisted Photocatalytic CO2 Reduction Using p‑GaN/Al2O3/Au/Cu Heterostructures

Marija R. Zoric, Pooja Basera, Levi D. Palmer, Aisulu Aitbekova, Natalia Powers-Riggs, Hyeongtaek Lim, Wenhui Hu, Angel T. Garcia-Esparza, Hori Sarker, Frank Abild-Pedersen, Harry A. Atwater, Scott K. Cushing, Michal Bajdich, Amy A. Cordones. ACS Nano

Alkali Cation-Induced Cathodic Corrosion in Cu Electrocatalysts

Liu, S., Li, Y., Wang, D., Xi, S., Xu, H., Wang, Y., Li, X., Zang, W., Liu, W., Su, M., Yan, K., Nielander, A. C., Wong, A. B., Lu, J., Jaramillo, T. F., Wang, L., Canepa, P., He, Q.. Nature Communications , 15, 5080. 2024.

Application of machine learning to discover new intermetallic catalysts for the hydrogen evolution and the oxygen reduction reactions

Carmen Martínez-Alonso, Valentin Vassilev-Galindo, Benjamin M. Comer, Frank Abild-Pedersen, Kirsten T. Winther, Javier LLorca. Catalysis Science and Technology, 14, 3784-3799. 2024.

Sub-Volt Conversion of Activated Biochar and Water for H2 Production near Equilibrium via Biochar-Assisted Water Electrolysis

Kani, N. C., Chauhan, R., Olusegun, S. A., Sharan, I., Katiyar, A., House, D. W., Lee, S.-W., Jairamsingh, A., Bhawnani, R. R., Choi, D., Nielander, A. C., Jaramillo, T. F., Lee, H.-S., Oroskar, A., Srivastava, V. C., Sinha, S., Gauthier, J. A., Singh, M. R.. Cell Reports Physical Science, 5, 102013. 2024.

Coverage, repulsion, and reactivity of hydrogen on High-Entropy alloys

Frederik C Østergaard, Frank Abild-Pedersen, Jan Rossmeisl. Journal of Catalysis, 435, 115570. 2024.

Tuning Two-Dimensional Phthalocyanine Dual Site Metal–Organic Framework Catalysts for the Oxygen Reduction Reaction

Lingze Wei, Md Delowar Hossain, Gan Chen, Gaurav A. Kamat, Melissa E. Kreider, Junjie Chen, Katherine Yan, Zhenan Bao, Michal Bajdich, Michaela Burke Stevens , Thomas Francisco Jaramilo. 2024.

Machine learning for accuracy in density functional approximations

Johannes Voss. Journal of Computational Chemistry. 2024.

Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance

Shyam Deo, Melissa Kreider, Gaurav Kamat, McKenzie Hubert, José A. Zamora Zeledón, Lingze Wei, Jesse Matthews, Nathaniel Keyes, Ishaan Singh, Thomas Jaramillo, Frank Abild-Pedersen, Michaela Burke Stevens, Kirsten Winther, Johannes Voss. ChemPhysChem. 2024.

Center for Interface Science and Catalysis

Publications