The role of doping and microstructure on hydrogen solubility in monoclinic ZrO2: Experimental validations of simulated defect chemistry
Sign Up to like & getrecommendations! Published in 2020 at "Acta Materialia"
DOI: 10.1016/j.actamat.2020.04.020
Abstract: Abstract The effect of chemical doping and ceramic microstructure on H solubility was measured systematically for the first time in monoclinic ZrO2. Excitingly, the influence of chemical doping by Fe, Cr and Ta cations on… read more here.
Keywords: monoclinic zro2; role doping; chemistry; solubility ... See more keywords
Electrochemically controlled defect chemistry: From oxygen excess to deficiency
Sign Up to like & getrecommendations! Published in 2021 at "Acta Materialia"
DOI: 10.1016/j.actamat.2021.116866
Abstract: Abstract Fundamental understanding of materials properties requires the study and development of defect chemical reactions and models. In-depth analysis of the defect chemistry of metal oxides, however, has generally been limited to the oxygen deficient… read more here.
Keywords: defect chemical; defect chemistry; electrochemically controlled; chemistry ... See more keywords
Interplay between Gd and oxygen vacancy on the electronic properties and defect chemistry of Gd-doped CeO2: A DFT + U study
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2020.110741
Abstract: Abstract The electronic properties and defect chemistry of Gd-doped CeO2 have been systematically investigated using the density functional theory with the Hubbard U correction. Three types of doping are considered in 2 × 2 × 2 CeO2 supercell: one… read more here.
Keywords: defect chemistry; doped ceo2; oxygen vacancy; chemistry ... See more keywords
Crystalline Planes templated engineering of defect chemistry in Cobalt(II, III) oxide anodes for lithium ion batteries
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2020.156858
Abstract: Abstract Transition metal oxide (TMO) anodes show promising applications in energy storage due to the unique physical and chemical properties and high theoretical capacity to storage ions. Their practical usages are restricted by low intrinsic… read more here.
Keywords: chemistry; crystalline planes; ion batteries; defect chemistry ... See more keywords
Analysis of Defect Chemistry and Microstructural Effects of Non-Stoichiometric Ceria by the High-Temperature Microwave Cavity Perturbation Method
Sign Up to like & getrecommendations! Published in 2021 at "Journal of The European Ceramic Society"
DOI: 10.1016/j.jeurceramsoc.2021.08.053
Abstract: Abstract The defect chemistry of ceria has been studied using a microwave resonator. The dielectric properties of powder samples were investigated up to 600 °C and at different oxygen partial pressures pO2 (10-26 – 0.2 bar) and… read more here.
Keywords: ceria; cavity perturbation; non stoichiometric; defect chemistry ... See more keywords
Defect chemistry and transport properties of SrCo1 − xTaxO2.5 + δ as a promising oxygen electrocatalyst for reversible solid oxide fuel cells
Sign Up to like & getrecommendations! Published in 2017 at "Solid State Ionics"
DOI: 10.1016/j.ssi.2017.07.001
Abstract: Abstract In this study, we report on thermodynamic and transport properties of SrCo 1 − x Ta x O 2.5 + δ (SCT) derived from a defect chemistry model encompassing oxygen interstitials as the ionic point defect and holes/excess… read more here.
Keywords: oxygen; transport properties; chemistry; hole ... See more keywords
Defect Chemistry as a Crystal Structure Design Parameter: Intrinsic Point Defects and Ga Substitution in InMnO3
Sign Up to like & getrecommendations! Published in 2017 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.6b04207
Abstract: The effect of defect chemistry on the polar and nonpolar phases of hexagonal InMnO3 is investigated using first-principles density functional calculations. Our motivation is to show how point defects and substitutional atoms can modify the… read more here.
Keywords: inmno3; chemistry; point defects; structure ... See more keywords
Defect Chemistry in Heterogeneous Catalysis: Recognition, Understanding, and Utilization
Sign Up to like & getrecommendations! Published in 2020 at "ACS Catalysis"
DOI: 10.1021/acscatal.0c03034
Abstract: Heterogeneous catalysis plays an important role in modern industries. Exploring catalysts with high efficiency, low-cost and high stability is an important issue for the research of heterogeneous c... read more here.
Keywords: chemistry heterogeneous; heterogeneous catalysis; catalysis recognition; chemistry ... See more keywords
Voltage and partial pressure dependent defect chemistry in (La,Sr)FeO3–δ thin films investigated by chemical capacitance measurements
Sign Up to like & getrecommendations! Published in 2018 at "Physical Chemistry Chemical Physics"
DOI: 10.1039/c7cp07845e
Abstract: Chemical capacitance measurements are used to study the defect chemistry of La0.6Sr0.4FeO3–δ thin films and their polarization (η) and pO2 dependence. Important point defects are oxygen vacancies (), electrons (e′) and holes (h˙). read more here.
Keywords: capacitance measurements; thin films; chemical capacitance; chemistry ... See more keywords
Complex Defect Chemistry of Hydrothermally-synthesized Nb-substituted β′-LiVOPO4
Sign Up to like & getrecommendations! Published in 2023 at "Journal of Materials Chemistry A"
DOI: 10.1039/d3ta01152f
Abstract: Lithium vanadyl phosphate (LiVOPO4) is a next-generation multielectron battery cathode that can intercalate up to two Li-ions per V-ion through the redox couples of V4+/V3+ and V5+/V4+. However, its rate... read more here.
Keywords: hydrothermally synthesized; chemistry hydrothermally; chemistry; defect chemistry ... See more keywords
Defect Chemistry and Chemical Looping Performance of La1−xMxMnO3 (M = Sr, Ca, (x = 0–0.5)) Perovskites
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano12193461
Abstract: La1−xMxMnO3 (M = Sr, Ca, (x = 0–0.5)) materials of the perovskite structure are synthesized by a co-precipitation method. They are subsequently investigated for their performance in a chemical looping process (fuel CH4) using thermogravimetric… read more here.
Keywords: chemistry; defect chemistry; chemical looping; la1 xmxmno3 ... See more keywords