A review of defect structure and chemistry in ceria and its solid solutions
Ceria and its solid solutions play a vital role in several industrial processes and devices.
These include solar energy-to-fuel conversion, solid oxide fuel and electrolyzer cells …
These include solar energy-to-fuel conversion, solid oxide fuel and electrolyzer cells …
Asymmetric oxygen vacancies: the intrinsic redox active sites in metal oxide catalysts
K Yu, LL Lou, S Liu, W Zhou - Advanced Science, 2020 - Wiley Online Library
To identify the intrinsic active sites in oxides or oxide supported catalysts is a research
frontier in the fields of heterogeneous catalysis and material science. In particular, the role of …
frontier in the fields of heterogeneous catalysis and material science. In particular, the role of …
Raman Spectra of Polycrystalline CeO2: A Density Functional Theory Study
C Schilling, A Hofmann, C Hess… - The Journal of …, 2017 - ACS Publications
Cerium oxide is an important material for catalytic and fuel cell applications. We present an
ab initio density functional theory (DFT) study of the vibrational properties of ceria focusing …
ab initio density functional theory (DFT) study of the vibrational properties of ceria focusing …
Reaction product-driven restructuring and assisted stabilization of a highly dispersed Rh-on-ceria catalyst
Understanding the structural dynamics of a catalyst under reaction conditions is challenging
but crucial regarding catalyst design. Here, by a combination of in situ/operando …
but crucial regarding catalyst design. Here, by a combination of in situ/operando …
High-throughput computational screening of perovskites for thermochemical water splitting applications
The use of hydrogen as fuel is a promising avenue to aid in the reduction of greenhouse
effect gases released in the atmosphere. In this work, we present a high-throughput density …
effect gases released in the atmosphere. In this work, we present a high-throughput density …
Applications and limitations of two step metal oxide thermochemical redox cycles; a review
Two step metal oxide thermochemical redox cycles have seen growing interest in the
research community over the last two decades. In particular, they have often been studied as …
research community over the last two decades. In particular, they have often been studied as …
Toward a Consistent Prediction of Defect Chemistry in CeO2
Polarizable shell-model potentials are widely used for atomic-scale modeling of charged
defects in solids using the Mott–Littleton approach and hybrid Quantum …
defects in solids using the Mott–Littleton approach and hybrid Quantum …
Rare earth doped ceria: The complex connection between structure and properties
The need for high efficiency energy production, conversion, storage and transport is serving
as a robust guide for the development of new materials. Materials with physical-chemical …
as a robust guide for the development of new materials. Materials with physical-chemical …
Exsolution of Metallic Ru Nanoparticles from Defective, Fluorite-Type Solid Solutions Sm2RuxCe2–xO7 To Impart Stability on Dry Reforming Catalysts
A key challenge in the catalytic conversion of CH4 and CO2 into a synthesis gas (CO and
H2) via the dry reforming of methane (DRM) is the development of stable catalysts. We …
H2) via the dry reforming of methane (DRM) is the development of stable catalysts. We …
Cu, Sm co-doping effect on the CO oxidation activity of CeO2. A combined experimental and density functional study
The co-doping effect of a rare earth (RE) metal and a transition metal (TM) on ceria oxidation
catalysis through the evaluation of samarium-copper co-doped catalysts with Ce-Sm-xCu-O …
catalysis through the evaluation of samarium-copper co-doped catalysts with Ce-Sm-xCu-O …