Electrocatalysis

Electrocatalysis

At Suncat we are developing a methodology for analyzing electrochemical reactions at surfaces with density functional theory. We utilize this methodology to understand elementary electrochemical processes at the solid-liquid interface and to computationally search for novel electrocatalytic materials. We particularly focus on fuel cell chemistry, electrolysis, electrochemical synthesis of hydrocarbons, and electrocatalytic ammonia production as a small-scale alternative to the Haber-Bosch process.

Publications

Displaying 1 - 20 of 272

Jihyun Baek, Kiran Srinivasan Hamkins, Yuzhe Li, Angel T. Garcia-Esparza, Tianying Liu, Cheng-Tai Kuo, Jun-Sik Lee, Adam Wallace Potter, Sungsoon Kim, Yifan Wang, Honghe Ding, Jialu Li, Zengqing Zhuo, Jinghua Guo, Michal Bajdich, Xiaolin Zheng. Nature Communications. 2026.

Kiran Srinivasan Hamkins, Pooja Basera, Xiaolin Zheng, Michal Bajdich. The Journal of Physical Chemistry C. 2026.

Michael T. Tang, Michal Bajdich, Frank Abild-Pedersen. The Journal of Physical Chemistry C. 2026.

Kyra M. K. Yap. Journal of the American Chemical Society, 148, 5132-5145. 2026.

Kyra M. K. Yap, Swathilakshmi, Timothy Lin, Ashton M. Aleman, Katherine Yan, Ryan T. Hannagan, Aniket S. Mule, Cindy Y. Wang, Sang-Won Lee, Judith Zander, Jingjing Qiu, Thomas F. Jaramillo, Adam C. Nielander. Journal of the American Chemical Society, 148, 5132-5145. 2026.

Raul A. Marquez, Adam C. Nielander, Joaquin Resasco, Thomas F. Jaramillo, C. Buddie Mullins. ACS Energy Letters, 11, 1241-1259. 2026.

Wrayzene Willoughby, Ryan Hannagan, Jinyu Guo, Peter Benedek, Kyra Yap, Michaela Burke Stevens, Adam C. Nielander, William A. Tarpeh, Thomas F. Jaramillo. ACS Electrochemistry, 2, 353-363. 2026.

Isabela Rios Amador, Ryan T. Hannagan, Allen Qiang, Sang-Won Lee, Nhi Thi Thu Tran, Kyra M. K. Yap, Ashton M. Aleman, Daniela H. Marin, Milenia Rojas Mendoza, Michaela Burke Stevens, Thomas F. Jaramillo, Adam C. Nielander. Energy and Environmental Sciencew, 18. 2025.

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

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.

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

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.

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.

Andrew A. Peterson, Frank Abild-Pedersen, Felix Studt, Jan Rossmeisl, Jens K. Nørskov. Energy & Environmental Science, 3, 1311-1315. 2010.

Egill Skúlason, Vladimir Tripkovic, Mårten E. Björketun, Sigrídur Gudmundsdóttir, Gustav Karlberg, Jan Rossmeisl, Thomas Bligaard, Hannes Jónsson, Jens K. Nørskov. The Journal of Physical Chemistry C, 114, 18182-18197. 2010.

Mårten E. Björketun, Gustav S. Karlberg, Jan Rossmeisl, Ib Chorkendorff, Holger Wolfschmidt, Ulrich Stimming, Jens K. Nørskov. Physical Review B, 84, 45407. 2011.

Georgios A. Tritsaris, Jeff Greeley, Jan Rossmeisl, Jens K. Nørskov. Catalysis Letters, 141, 909-913. 2011.

William J. Durand, Andrew A. Peterson, Felix Studt, Frank Abild-Pedersen, Jens K. Nørskov. Surface Science, 605, 1354-1359. 2011.

Mónica García-Mota, Aleksandra Vojvodic, Horia Metiu, Isabela C. Man, Hai-Yan Su, Jan Rossmeisl, Jens K. Nørskov. ChemCatChem, 3, 1607-1611. 2011.

Georgios A. Tritsaris, Jens K. Nørskov, Jan Rossmeisl. Electrochimica Acta, 56, 9783-9788. 2011.