High permittivity (k) gate dielectric films are widely studied to substitute SiO2 as gate oxides
to suppress the unacceptable gate leakage current when the traditional SiO2 gate oxide …

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 …

Pressure is an important thermodynamic parameter, allowing the increase of matter density
by reducing interatomic distances that result in a change of interatomic interactions. In this …

The self-interaction-corrected local-spin-density (SIC-LSD) approximation is used to
describe the electronic structure of dioxides REO 2 and sesquioxides RE 2 O 3 for the rare …

Porous aromatic frameworks (PAFs) incorporating a high concentration of acid functional
groups possess characteristics that are promising for use in separating lanthanide and …

The effects of transition metal (Fe, Co and Ni) modification (adsorption, insertion and
substitution) of CeO2 surfaces on oxygen vacancy formation and CH4 activation are studied …

Our previously defined Sparkle model (Inorg. Chem. 2004, 43, 2346) has been
reparameterized for Eu (III) as well as newly parameterized for Gd (III) and Tb (III). The …

In2O3 is a promising electrocatalyst for CO2 electroreduction (CO2ER) to formate. In2O3
nanoparticles doped with Pd, Ni, Co, Zr, and Ce promoters using flame-spray pyrolysis were …

Thin films of reduced ceria supported on metals are often applied as substrates in model
studies of the chemical reactivity of ceria based catalysts. Of special interest are the …

Crystal orbital adapted Gaussian (4s4p3d),(5s5p4d) and (6s6p5d) valence primitive basis
sets have been derived for calculating periodic bulk materials containing trivalent lanthanide …