Title
Synthesis, characterization, and computation of catalysts at the center for atomic-level catalyst design
Document Type
Article
Publication Date
1-1-2014
Abstract
© 2014 American Chemical Society. Energy Frontier Research Centers have been developed by the Department of Energy to accelerate research synergism among experimental and theoretical scientists in catalysis. The overall goal is to advance tools of synthesis, characterization, and computation of solid catalysts to design and predict catalytic properties at the atomic level. The Center for Atomic-Level Catalyst Design (CALC-D) has the goal of significantly advancing: (a) the tools of materials synthesis, allowing catalysts identified by computation to be prepared with atomic-level precision, (b) characterization methods such as advanced spectroscopy to understand surface structures of the working catalyst unambiguously, and (c) the ability of computational catalysis to accurately model reactions at working conditions.
Publication Source (Journal or Book title)
Journal of Physical Chemistry C
First Page
20043
Last Page
20069
Recommended Citation
Spivey, J., Krishna, K., Kumar, C., Dooley, K., Flake, J., Haber, L., Xu, Y., Janik, M., Sinnott, S., Cheng, Y., Liang, T., Sholl, D., Manz, T., Diebold, U., Parkinson, G., Bruce, D., & De Jongh, P. (2014). Synthesis, characterization, and computation of catalysts at the center for atomic-level catalyst design. Journal of Physical Chemistry C, 118 (35), 20043-20069. https://doi.org/10.1021/jp502556u