This Review describes recent advances in the design, synthesis, reactivity, selectivity,
structural, and electronic properties of the catalysts for reforming of a variety of oxygenates …

This review is concerned with the theoretical and computational modeling of bimolecular
reactions, especially with generally applicable methods for kinetics (ie, overall rates as …

More than five years have passed since the first edition of this book was published. Surface
science is still a very active field of research, and the fact that the Nobel Prize 2007 in …

Electrosynthesis, a historically powerful tool for the production of a number of industrial-
scale inorganic or organic materials, has experienced a renaissance over the last ten years …

The electro-oxidation of methanol on Pt (111) is studied based on periodic density functional
theory calculations. The aqueous electrolyte is taken into account using an implicit solvent …

The metal-oxide interaction has been proven to have extremely favorable effects on the
improvement of adsorption strength tuning and catalytic performance. FeO x was found to …

A robust, efficient, dynamic, and automated nudged elastic band (AutoNEB) algorithm to
effectively locate transition states is presented. The strength of the algorithm is its ability to …

Water dissociation on clean and oxygen-preadsorbed transition metal surfaces was
investigated by the DFT-GGA method. The total energy change and the reaction barrier were …

The CuZnO catalyst with excellent low-temperature catalytic activity is widely used in
methanol steam reforming (MSR). Here, a series of CuZnO/γ-Al 2 O 3/Al catalysts were …

Cu-based catalysts have been widely used for hydrogen production from methanol
decomposition, methanol oxidation and steam reforming of methanol (MSR). In this study …