Charlie Tsai

Graduate Student

My research interests mainly involve:

  • Studying non-precious catalysts for electrochemical hydrogen evolution, ammonia synthesis, CO2 reduction as well as thermochemical alcohol synthesis and methane activation.
  • Developing approximate physical models for predicting the energetics and kinetics of catalytic reactions.
  • Using supervised machine learning methods for the high-throughput screening of catalytic materials such as metal alloys

I have also created a web interface for searching and visualizing catalytic data here.


Understanding the Reactivity of Layered Transition-Metal Sulfides: A Single Electronic Descriptor for Structure and Adsorption. Charlie Tsai, Karen Chan, Jens K. Nørskov, Frank Abild-Pedersen. Journal of Physical Chemistry Letters, 5, 3884-3889. 2014. Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO2 Reduction. Karen Chen, Charlie Tsai, Heine A. Hansen, Jens K. Nørskov. ChemCatChem, 6, 2149-2149. 2014.
Active edge sites in MoSe2 and WSe2 catalysts for the hydrogen evolution reaction: a density functional study. Charlie Tsai, Karen Chan, Frank Abild-Pedersen, Jens K. Nørskov. Physical Chemistry Chemical Physics, 16, 13156-13164. 2014. Tuning the MoS2 Edge-Site Activity for Hydrogen Evolution via Support Interactions. Charlie Tsai , Frank Abild-Pedersen, Jens K. Nørskov. Nano letters, 14, 1381-1387. 2014.