A Predictive Platform for Thermal + Electrocatalysis

Hao Li Lab@Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, Japan


Current available reactions in catalytic volcano module:

i) Electrocatalysis:

  • Hydrogen evolution reaction
  • Oxygen evolution reaction
  • Ozone evolution reaction
  • Oxygen reduction reaction
  • CO2 reduction reaction towards CO/HCOOH
  • Water oxidation reaction towards H2O2
  • Electrolytic propylene epoxidation

ii) Thermal catalysis

  • Ethylene epoxidation
  • CO oxidation
  • Nitrite reduction towards NH3/N2
  • Hg oxidation
  • NO oxidation


  • Heng Liu, Prof. Hao Zheng and Prof. Hao Li* (Tohoku University)
  • Prof. Weijie Yang, Xuelu Chen, Yajun Feng, Binghui Zhou, Yan Liu and Zhenhe Jia (North China Electric Power University, Baoding)
  • Mr. Jin-Tao Jiang, Dr. Zhongyuan Guo, and Prof. Li-Hua Cheng (Zhejiang University, China)
  • Dr. Li Wei (The University of Sydney)


Prof. Hao Li (

More information of our group can be found Here

If you use the CatMath in your research or publication, please cite the following paper:


We are grateful to all the sponsors who have made this research possible.


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Update News

(7 April 2024) pH-field coupled microkinetic modeling is available upon reasonable request :

(12 December 2023) Ozone evolution reaction is now available! Many thanks to the contribution from the Group of Prof. Li-Hua Cheng from Zhejiang University, China

(25 October 2023) CatMath is officially released!

(8 September 2023) Surface Pourbaix Module is now accessible!

(18 August 2023) CatMath 1.0 is now released!