We have recently explored the behaviors of chemically doped MoSeX (X = O, Se, Te) systems in hydrogen evolution reaction (HER), a catalytic approach to generate clean H2 gas from water. We have also developed a theoretical algorithm to compute the exchange current associated with a HER process, which makes us possible to directly compare/motivate many experimental measurements.
The paper by Yu Hao et al. has been available now:
"Chemical optimization towards superior electrocatalysis of Janus 1T-MoSX (X = O, Se, Te) for hydrogen evolution: Small composition tuning makes big difference"
Y. Hao, L.C. Xu, Z. Yan, R.P. Liu, X.-Y. Li, J. Pu, and L.-F. Huang
Electrochimica Acta (2019) DOI: 10.1016/j.electacta.2019.04.101.
Reaction Paths and Potential Barriers
Reaction Rate, Adsorbate Coverage, Exchange Current