[HTML][HTML] From earth material to energy production: Ni-based modified halloysite catalysts for CO2 methanation

AA Alkhoori, AA Dabbawala, MA Baker, S Mao… - Applied Clay …, 2024 - Elsevier
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 …

The Structure of Oxygen Vacancies in the Near-Surface of Reduced CeO2 (111) Under Strain

ZK Han, L Zhang, M Liu… - Frontiers in …, 2019 - frontiersin.org
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 …

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 …

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 …

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 …

Theoretical analysis of electrochromism of Ni-deficient nickel oxide–from bulk to surfaces

IA Pašti, AS Dobrota, DB Migas, B Johansson… - Physical Chemistry …, 2023 - pubs.rsc.org
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 …

High-temperature vacancy-induced magnetism in nanostructured materials

DH Mosca, J Varalda, CA Dartora - Physical Review B, 2023 - APS
Recently, vacancy-induced ferromagnetism in nanostructured materials, that in the pristine
state are diamagnetic, aroused great interest among researchers due to their strong …

Screened hybrid functionals applied to ceria: Effect of Fock exchange

D Du, MJ Wolf, K Hermansson, P Broqvist - Physical Review B, 2018 - APS
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+ …

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 …

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 …