Exploring the stability and reactivity of Ni2P and Mo2C catalysts using ab initio atomistic thermodynamics and conceptual DFT approaches.

Morales-García, A*.; He, J.; Lyu, P.; Nachtigall, P.
Biomass Conv. Bioref., 2017, 7 (3), 377–383.

The CASCATBEL project has received funding from the European Community's Seventh
Framework Programme FP7/2007-2013 under Grant Agreement nº 604307