[HTML][HTML] From earth material to energy production: Ni-based modified halloysite catalysts for CO2 methanation
In present study, halloysite (Hal) clay mineral was modified by promoters, such as ceria, Cu-
doped and La-doped ceria. Comprehensive techniques were used to study the …
doped and La-doped ceria. Comprehensive techniques were used to study the …
The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO2 (111) Under Strain
Strain has been widely recognized as important for tuning the behavior of defects in metal
oxides since properties such as defect configuration, electronic structure, excess charge …
oxides since properties such as defect configuration, electronic structure, excess charge …
Polaron mobility in oxygen-deficient and lithium-doped tungsten trioxide
N Bondarenko, O Eriksson, NV Skorodumova - Physical Review B, 2015 - APS
Electron localization and polaron mobility in oxygen-deficient as well as Li-doped
monoclinic tungsten trioxide have been studied in the adiabatic limit in the framework of …
monoclinic tungsten trioxide have been studied in the adiabatic limit in the framework of …
A DFT+ U study on the contribution of 4f electrons to oxygen vacancy formation and migration in Ln-doped CeO 2
M Alaydrus, M Sakaue, H Kasai - Physical Chemistry Chemical Physics, 2016 - pubs.rsc.org
A rare earth doped form of ceria (CeO2) is of interest as a potential candidate for solid oxide
fuel cells (SOFCs) because of its relatively high oxygen ion conductivity at temperatures …
fuel cells (SOFCs) because of its relatively high oxygen ion conductivity at temperatures …
Oxygen Vacancy Ordering and Electron Localization in CeO2: Hybrid Functional Study
X Han, N Amrane, Z Zhang… - The Journal of Physical …, 2016 - ACS Publications
Oxygen vacancies in bulk CeO2 have been investigated using the Heyd–Scuseria–
Ernzerhof (HSE) hybrid functional method. Results show that oxygen vacancies tend to …
Ernzerhof (HSE) hybrid functional method. Results show that oxygen vacancies tend to …
Theoretical analysis of electrochromism of Ni-deficient nickel oxide–from bulk to surfaces
The development of new electrochromic materials and devices, like smart windows, has an
enormous impact on the energy efficiency of modern society. One of the crucial materials in …
enormous impact on the energy efficiency of modern society. One of the crucial materials in …
High-temperature vacancy-induced magnetism in nanostructured materials
Recently, vacancy-induced ferromagnetism in nanostructured materials, that in the pristine
state are diamagnetic, aroused great interest among researchers due to their strong …
state are diamagnetic, aroused great interest among researchers due to their strong …
Screened hybrid functionals applied to ceria: Effect of Fock exchange
We investigate how the redox properties of ceria are affected by the fraction of Fock
exchange in screened HSE06-based hybrid density functionals, and we compare with PBE+ …
exchange in screened HSE06-based hybrid density functionals, and we compare with PBE+ …
Unusual lattice evolution and magnetochemistry of Nb doped CeO2
T Kolodiazhnyi, H Sakurai, AA Belik, OV Gornostaeva - Acta Materialia, 2016 - Elsevier
We report on the effect of Nb substitution on the lattice evolution and magnetic properties of
the Ce 1− x Nb x O 2. Based on the microstructure analysis the solubility limit of Nb was …
the Ce 1− x Nb x O 2. Based on the microstructure analysis the solubility limit of Nb was …
Oxygen diffusion in ceria doped with rare-earth elements
JO Nilsson, M Leetmaa, OY Vekilova… - Physical Chemistry …, 2017 - pubs.rsc.org
We examine the effects of the dopant type and the dopant distribution on the ion diffusion in
ceria doped with rare-earth elements (Pr, Nd, Pm, Sm, Eu, and Gd). Diffusion is simulated by …
ceria doped with rare-earth elements (Pr, Nd, Pm, Sm, Eu, and Gd). Diffusion is simulated by …