Our group is active in the area of catalysis for application in clean energy technologies including fuel cells, electrolyzers and batteries, which will all be important components of a sustainable energy economy. The overall objective of our research program is to use computational framework to gain atomic scale understanding of the frontiers of existing catalyst materials toward reactions of importance for clean energy processes and ultimately designing more efficient catalysts for energy conversion and chemical production.
Xia, C.; Back, S.; Ringe, S.; Jiang, K.; Chen, F.; Sun, X.; Siahrostami, S.*; Chan, K.*; Wang, H.* "Confined Local Oxygen Gas Promotes Electrochemical Water Oxidation to Hydrogen Peroxide",Nat. Catal. (2020).
Samira Siahrostami*, "Designing Carbon-Based Materials for Efficient Electrochemical Reduction of CO2" Ind. Eng. Chem. Res., 2019, 58 (2), pp 879–885