A review of defect structure and chemistry in ceria and its solid solutions

R Schmitt, A Nenning, O Kraynis, R Korobko… - Chemical Society …, 2020 - pubs.rsc.org
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 …

New advances in using Raman spectroscopy for the characterization of catalysts and catalytic reactions

C Hess - Chemical Society Reviews, 2021 - pubs.rsc.org
Gaining insight into the mode of operation of heterogeneous catalysts is of great scientific
and economic interest. Raman spectroscopy has proven its potential as a powerful …

A CeO2 Semiconductor as a Photocatalytic and Photoelectrocatalytic Material for the Remediation of Pollutants in Industrial Wastewater: A Review

E Kusmierek - Catalysts, 2020 - mdpi.com
The direct discharge of industrial wastewater into the environment results in serious
contamination. Photocatalytic treatment with the application of sunlight and its enhancement …

Defect Engineering on CeO2‐Based Catalysts for Heterogeneous Catalytic Applications

C Yang, Y Lu, L Zhang, Z Kong, T Yang, L Tao… - Small …, 2021 - Wiley Online Library
With abundant crystal defects, cerium oxide (CeO2), widely used in heterogeneous
catalysis, has attracted extensive attention. In recent years, researchers have investigated …

Tuning Electronic Structure of Single Layer MoS2 through Defect and Interface Engineering

Y Chen, S Huang, X Ji, K Adepalli, K Yin, X Ling… - ACS …, 2018 - ACS Publications
Transition-metal dichalcogenides (TMDs) have emerged in recent years as a special group
of two-dimensional materials and have attracted tremendous attention. Among these TMD …

Ceria and its defect structure: new insights from a combined spectroscopic approach

A Filtschew, K Hofmann, C Hess - The Journal of Physical …, 2016 - ACS Publications
Ceria is an interesting component for a variety of catalytic and fuel cell applications. In the
study described here, ten different commercial ceria samples as well as synthesized ceria …

Toward a Consistent Prediction of Defect Chemistry in CeO2

X Zhang, L Zhu, Q Hou, J Guan, Y Lu… - Chemistry of …, 2022 - ACS Publications
Polarizable shell-model potentials are widely used for atomic-scale modeling of charged
defects in solids using the Mott–Littleton approach and hybrid Quantum …

Understanding the ionic conductivity maximum in doped ceria: trapping and blocking

J Koettgen, S Grieshammer, P Hein… - Physical Chemistry …, 2018 - pubs.rsc.org
Materials with high oxygen ion conductivity and low electronic conductivity are required for
electrolytes in solid oxide fuel cells (SOFC) and high-temperature electrolysis (SOEC). A …

Occupation matrix control of d-and f-electron localisations using DFT+ U

JP Allen, GW Watson - Physical Chemistry Chemical Physics, 2014 - pubs.rsc.org
The use of a density functional theory methodology with on-site corrections (DFT+ U) has
been repeatedly shown to give an improved description of localised d and f states over …

A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides

A Bonkowski, MJ Wolf, J Wu, SC Parker… - Journal of the …, 2024 - ACS Publications
Exsolution has emerged as an outstanding route for producing oxide-supported metal
nanoparticles. For AB O3-perovskite oxides, various late transition-metal cations can be …