Hydrogen adsorption on the primarily exposed (001),(100),(101), and (201) surfaces of the
hexagonal Mo2C phase at different coverage has been investigated at the level of density …

Cu–Ni/γ-Al2O3 catalysts with different metal contents for dimethyl ether steam reforming
(DME SR) were prepared by the method of deposition–precipitation. Characterization of …

The adsorption and reaction pathways of dimethyl and diethyl ethers have been investigated
on pure and Mo2C-containing ZSM-5. The catalysts have been characterized by XPS and …

Mo2C prepared by the reduction and reaction of MoO3 with carbon Norit catalyzed the
decomposition of dimethyl ether at 673–923K to give H2 (∼ 43%), CO (∼ 32%) and CH4 …

High coverage hydrogen adsorption on twenty two terminations of orthorhombic Mo 2 C has
been systematically studied by using density functional theory and ab initio thermodynamics …

This work has been an investigation of the catalytic conversion of syngas into mixed
alcohols with Mo-based catalysts. The primary focus has been on the use of alkali promoted …

The co-reaction of dimethyl ether and benzene has been investigated on pure and promoted-
ZSM-5 catalysts at 473–773 K. It was found that the addition of benzene to dimethyl ether …

The effect of surface hydroxyls on the adsorption of ether on ceria was explored. Adsorption
of dimethyl ether (DME) and diethyl ether (DEE) on oxidized and reduced CeO 2 (111) films …

Diethyl ether is a common industrial reagent and medical anesthetic. It is necessary to carry
out real-time monitoring of this molecule due to its harmful effects on human health. In this …

This thesis mainly focuses on theoretical investigations of CO and H2 activation on the
surfaces of iron and molybdenum carbide (Mo2C) catalysts, which have been used in …