CatMath

A Predictive Platform for Thermal + Electrocatalysis

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

ACS Catalysis 2021 11 (19), 12052-12057; ACS Catalysis 2023 13 (14), 9695-9705

ACS Catal. 2020, 10, 14, 7915–7921 ; Adv. Energy Mater.2021, 11, 200341

Applied Catalysis B: Environmental, 2022, 305: 121048; Fuel, 2022, 320: 123909

J. Phys. Chem. C 2018, 122, 5, 2712–2716; ACS Catal. 2019, 9, 9, 7957–7966

Environ. Sci.: Nano, 2022, 9, 2041; ChemCatChem2022,14, e202201016

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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

Contributors:

Dr. Heng Liu, Dr. Di Zhang, 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)

Contact:

Prof. Hao Li (li.hao.b8@tohoku.ac.jp)

More information of our group can be found Here

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

H. Liu, H. Zheng, Z. Jia, B. Zhou, Y. Liu, X. Chen, Y. Feng, L. Wei, W. Yang, and H. Li*, "The CatMath: An Online Predictive Platform for Thermal + Electrocatalysis" , Frontiers of Chemical Science and Engineering, 2023.

Watch our open online course (language in Chinese)

Acknowledgement:

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

JSPS KAKENHI

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Update News

(11 May 2024) pH- & RHE-dependent surface Pourbaix diagram is now available!

(7 April 2024) pH-field coupled microkinetic modeling is available upon reasonable request : li.hao.b8@tohoku.ac.jp

(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!