Surface reconstruction and the effect of Ni-modification on the selective hydrogenation of 1,3-butadiene over Mo2C-based catalysts

In the current study, Mo2C, NiMo2C, H–Mo2C and H–NiMo2C were synthesized to understand the effects of Ni modification and surface reconstruction.

Ni-modified Ti3C2MXene with enhanced microwave absorbing ability

Ni-modification of Ti3C2MXene enables enhanced microwave absorption ability.

DFT insights into oxygen vacancy formation and CH4 activation over CeO2 surfaces modified by transition metals (Fe, Co and Ni)

The effects of transition metal (Fe, Co and Ni) modification (adsorption, insertion and substitution) of CeO2 surfaces on oxygen vacancy formation and CH4 activation are studied on the basis of first principles calculations.