First-principles investigation of the bonding, optical and lattice dynamical properties of CeO2

Effect of Zn doping on structural, optical and thermal properties of CeO2 nanoparticles

“…This peak is highly blue shifted compared to the peak value of bulk (388 nm) [28]. This peak originates from charge transfer from 2p valence band of O 2-to 4f band of Ce 4+ [29,30]. In CeO 2 , the valence band consists of O 2p level with a width of 4eV and conduction band of Ce 5d level.…”

“…In CeO 2 , the valence band consists of O 2p level with a width of 4eV and conduction band of Ce 5d level. In between these two states and just above the Fermi level, Ce 4f level is present [30]. For Zn doped CeO 2 nanoparticles (from 0.20 wt % Zn to 1 wt % Zn), absorption peaks are blue-shifted compared with undoped and bulk CeO 2 .…”

First-principles investigation on redox properties ofM-dopedCeO2(M=Tang1, Zhang2, Cui3 et al. 2010Phys. Rev. BSelf Cite1168480View full textAdd to dashboardCite

“…Da Silva 19 explained the effect of the volume expansion on the reduction in CeO 2 . Shi et al 20,21 calculated the bonding, optical, lattice dynamical, and surface properties of ceria.…”

Research on microstructure and catalysis effects on hydrogen storage alloy of nanosized three ions co‐doped Ce 1−3 x Cu x Fe x Zn x O 2

“…Figure A records the UV absorption spectra of Ce 1−3 x Cu x Fe x Zn x O 2 solid solutions. It is observed that the maximum absorptions bands located from 260 to 310 nm, which were originated from the valence band of O2p to the conduction band of Ce4f . Comparing with pure CeO 2 , another absorption band with broad width from 600 to 800 nm is appeared for the doped solid solutions.…”