Descriptors

Descriptors

The descriptor based approach to design of new catalysts and materials is founded on the existence of property correlations. Such correlations are products of the underlying electronic structure of the surface or the bulk system and a classification of the property correlations is crucial in further developing the necessary screening methods to efficiently identify new leads for better catalysts or materials with superior properties.

Publications

Displaying 61 - 69 of 69

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.

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

Michael John Craig, Felix Kleuker, Michal Bajdich , Max Garcia-Melchor . Catalysis Science & Technology. 2023.

Jihyun Baek , Md Delowar Hossain , Pinaki Mukherjee, Junghwa Lee , Kirsten Winther , Juyoung Leem , Yue Jiang , William Chueh , Michal Bajdich, Xiaolin Zheng. Nature Communications. 2023.

Shikha Saini , Joakim Halldin Stenlid, Shyam Deo, Philipp N. Plessow, Frank Abild-Pedersen. ACS Catalysis, 14, 874-885. 2024.

Sukanya Sinha, Tejs Vegge, Kirsten T. Winther, Heine Anton Hansen. ChemPhysChem, e202300865. 2024.

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.

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.

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