In this publication, led by Ankit Gautam and supervised by Prof. Alex Mironenko, the authors examined the role of surface oxidation on the catalytic properties of transition metal carbide, specifically -MoC. Using DFT and ab initio thermodynamics, the electrocatalyst surface was characterized, revealing a significant extent of surface oxidation. Combined with the experimental results from Prof Hong Yang’s group, this paper, published in ACS Catalysis, extends our previous work on -Mo₂C.

Check out the paper at https://doi.org/10.1021/acscatal.4c06544