Yuhsuan Lee

Graduate Research Assistant

Advised by Professor Jeffrey Greeley

Professional Networks




  • Advanced Organic Materials Lab, School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, China, Research intern (Summer 2011)
  • Conjugated Conducting Polymer Lab, NTHU, Taiwan, Research assistant (2012-2014)
  • Academia Sinica, Taiwan, Research assistant (2014-2015)

Project Description

The first-principles calculations of Density Functional Theory (DFT) allows us to acquire a fundamental understandings about the reaction kinetics. Also, it rapidly screen potential catalysts and provides insights into measure physical data which is unaccessible to experiments. The purpose of prediction is critical and important.

Since there is an abundance in natural shale-gas deposit, we are trying to efficiently transform light alkanes into more desired and high-value products, such as propylene. Propene is a valuable raw material in the petrochemical application.One of the ways to produce propylene is propane dehydrogenation.

My research interest is to perform DFT to gain more understandings about of the characteristics of the bimetallic alloy catalysts. It allows us to shed light on the role in the propane dehydrogenation reaction, such as the selectivity, activity performance. Also, the reaction kinetics is one of our purposes in the project. By mapping different alloy catalysts, we hope to predict potential catalysts for the propane dehydrogenation.