Defects at transition metal (TM) and rare earth (RE) oxide surfaces, neutral oxygen
vacancies in particular, play a major role in a variety of technological applications. This is the …

The actinide oxides have been extensively studied in the context of the nuclear fuel cycle.
They are also of fundamental interest as members of a class of strongly correlated materials …

The spillover of oxygen species is fundamentally important in redox reactions, but the
spillover mechanism has been less understood compared to that of hydrogen spillover …

This work assesses the Heyd-Scuseria-Ernzerhof (HSE) screened Coulomb hybrid density
functional for the prediction of lattice constants and band gaps using a set of 40 simple and …

Hierarchical SnO2 fibers assembled from wrinkled thin tubes are synthesized by controlling
the microphase separation between tin precursors and polymers, by varying flow rates …

Density functional theory incorporating hybrid exchange–correlation functionals has been
extraordinarily successful in providing accurate, computationally tractable treatments of …

Despite its importance in oxidation catalysis, the active phase of Pt remains uncertain, even
for the Pt (111) single-crystal surface. Here, using a ReactorSTM, the catalytically relevant …

Various platinum doped TiO 2 with different doping ratios was successfully synthesized by a
facile sol–gel method. The structural and optical properties of as-synthesized samples were …

The predicted structures and electronic properties of Ce O 2 and Ce 2 O 3 have been
studied using conventional and hybrid density functional theory. The lattice constant and …

The catalytic oxidation activity of platinum particles in automobile catalysts is thought to
originate from the presence of highly reactive superficial oxide phases which form under …