Conspectus The understanding of adsorption and reactions of (large) organic molecules at
metal surfaces plays an increasingly important role in modern surface science and …

Direct alcohol fuel cells (DAFCs) represent the best alternative to batteries for portable and
auxiliary power units application due to the high energy density of short chain alcohols …

We investigate the (surface) bonding of a class of industrially and biologically important
molecules in which the chemically active orbital is a 2 p electron lone pair located on an N or …

Transition-metal (TM) nanoparticles supported on oxides or carbon black have attracted
much attention as potential catalysts for ethanol steam reforming reactions for hydrogen …

Adsorption of organics in the aqueous phase is an area which is experimentally difficult to
measure, while computational techniques require extensive configurational sampling of the …

The effect of mean metal crystallite size on activity and selectivity of Pt/Al 2 O 3 catalysts
under conditions of ethanol steam reforming at low temperatures was investigated. It was …

We report the results of extensive computational investigation of the adsorption properties of
water and ethanol on several Cu-, Pt-, and Au-based substrates, including the close-packed …

Despite extensive studies of transition metal (TM) clusters supported on ceria (CeO2),
fundamental issues such as the role of the TM atoms in the change in the oxidation state of …

Glycerol has been suggested as an additional energy source for hydrogen production for
fuel cell applications, and several experimental studies have been reported on glycerol …

Experimentally, steric and inductive effects have been suggested as key parameters in the
adsorption and reactivity of alcohols on transition-metal (TM) surfaces, however, our …