(6f) Transition Metal-Oxides for Sustainable Energy Conversion and Storage: The Computational Catalysis Perspective
- Conference: AIChE Annual Meeting
- Year: 2016
- Proceeding: 2016 AIChE Annual Meeting
- Group: Meet the Faculty Candidate Poster Session – Sponsored by the Education Division
Sunday, November 13, 2016 - 1:00pm-3:30pm
Research Interests: The main goal of my research is to use the state-of-the-art computational methods in tandem with experiment to achieve understanding of the structure and the reaction mechanism of the most promising heterogeneous catalysts [1,2]. The largest breakthrough is needed in the catalysis of the electro-chemical water splitting, CO2 reduction and ammonia synthesis, where the efficient, stable and earth-abundant catalysts are still to be discovered. I am especially interested in the catalytic functionality of the novel nanostructured first-row transition-metal oxides , which can be precisely synthesized and exhibit high level of activity and tunability.
Teaching Interests: Core level courses Chem. E, Chemistry Physics and Material Science. Ideally envision designing my own course in either Computational heterogeneous catalysis or in the Modern approaches to computational materials design.
 Bajdich, Sargent,el.al., Homogeneously-Dispersed Multi-Metal Oxygen-Evolving Catalysts, Science10.1126/science.aaf1525 (2016).
 Bajdich, Jaramillo, el.al., Gold-supported cerium-doped NiOx catalysts for water oxida- tion, Nature Energy10.1038/NENERGY.2016.53 (2016)
 Bajdich, Lauritsen, ACS Nano10.1021/acsnano.5b00158 (2015); Special Issue in Topics in Catalysis (2016); Nat. Materials (under review).
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