Metal-oxide interfaces are of great importance in catalytic applications since each material
can provide a distinct functionality that is necessary for efficient catalysis in complex reaction …

The water–gas shift (WGS, CO+ H2O→ H2+ CO2) reaction was studied on a series of
gold/oxide catalysts. The results of in situ measurements with X-ray absorption spectroscopy …

The traditional approach to the optimization of metal/oxide catalysts has focused on the
properties of the metal and the selection of the proper oxide for its dispersion. The …

The water-gas shift (WGS, CO+ H2O! CO2+ H2) is an important reaction frequently used in
the chemical industry for the production of clean H2.[1] Oxide-supported copper catalysts …

The performance of various commonly used density functionals is established by comparing
calculated values of atomic structure data, cohesive energies, and bulk moduli of all …

Water dissociation on transition-metal catalysts is an important step in steam reforming and
the water-gas shift reaction. To probe the effect of translational and vibrational activation on …

At small coverages of ceria on TiO2 (110), the CeO x nanoparticles have an unusual
coordination mode. Scanning tunneling microscopy and density-functional calculations point …

Tests of the RPBE, revPBE, τ-HCTHhyb, ωB97X-D⁠, and MOHLYP density functional
approximations and 29 others against representative databases for diverse bond energies and …

The low cost and high selectivity toward CO2 and H2 of Ni–Cu catalysts for the methanol
steam reforming (MSR) make them excellent candidates for the production of hydrogen from …

Three CuO/CeO2 catalyst with different morphologies of ceria, namely nanospheres,
nanorods and nanocubes, were synthesized and used to catalyze the water-gas shift (WGS) …