Oxygen vacancy stabilized zirconia (OVSZ); a joint experimental and theoretical study

Raza, Mohsin; Cornil, David; Cornil, Jérôme; Lucas, Stéphane; Snyders, Rony; Konstantinidis, Stéphanos

doi:10.1016/j.scriptamat.2016.06.025

Cited by 56 publications

(23 citation statements)

References 49 publications

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“…Figure 2f shows that the spacing of the measured lattice fringes was 0.35 nm, matching well with the (101) crystal face of anatase TiO 2 . Furthermore, the formation of O V s caused by lattice distortion led to some obscure regions in the HRTEM image [33–35] …”

Section: Resultsmentioning

confidence: 99%

Promoting the Electrocatalytic Activity of Ti₃C₂T_x MXene by Modulating CO₂ Adsorption through Oxygen Vacancies for High‐Performance Lithium‐Carbon Dioxide Batteries

et al. 2020

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Lithium‐carbon dioxide (Li‐CO2) batteries are considered as a most auspicious energy storage systems owing to their high capacity and the ability of capturing CO2. However, there are still some critical issues needed to be addressed before their practical application, such as high charge potential and poor cyclability. Herein, oxygen vacancy‐enriched TiO2 nanoparticles grown in situ on Ti3C2Tx MXene (OV‐TiO2/MXene) are synthesized as catalysts for Li‐CO2 batteries by facile one‐step ethanol heat treatment of the MXene nanosheets. The thermodynamically metastable Ti atom on the surface of MXenes serves as nucleating sites, which play a critical role in generating the relatively stable vacancy‐rich TiO2 nanoparticles. The spontaneously generated oxygen vacancies can enhance CO2 adsorption, which is beneficial to CO2 involved electrode reactions. The Li‐CO2 batteries with OV‐TiO2/MXene electrodes deliver noteworthily reduced charge voltage of 3.37 V at 100 mA g−1, and a superb cycling performance of 158 cycles. This work highlights the significant role of oxygen vacancies in activating CO2 in Li‐CO2 batteries, instrumental to the development of high‐performance electrocatalysts for Li‐CO2 batteries and beyond.

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Section: Resultsmentioning

confidence: 99%

Promoting the Electrocatalytic Activity of Ti₃C₂T_x MXene by Modulating CO₂ Adsorption through Oxygen Vacancies for High‐Performance Lithium‐Carbon Dioxide Batteries

et al. 2020

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“…The monoclinic peaks in the oxide layer formed under irradiation have a lower d-spacing than those in the reference sample: this suggests a more compressed oxide or a different stoichiometry. The lower tetragonal phase fraction in the irradiated sample could be due to two factors: the first could be that less tetragonal oxide has formed during the corrosion of the irradiated sample, which could be linked to a different state of equilibrium which could lead to a lower quantity of vacancies thus less tetragonal phase stabilized by oxygen vacancies [27]; the second could be that the same amount of tetragonal phase has formed but it has been more destabilized due to the relaxation of the higher stresses in the oxide (which could in turn be due to a harder matrix). In the current experiment, the distinction between those two possibilities cannot be assessed.…”

Section: Discussionmentioning

confidence: 99%

Microstructure Evolution in Ion-Irradiated Oxidized Zircaloy-4 Studied with Synchrotron Radiation Microdiffraction and Transmission Electron Microscopy

Colas

Verlet

Tupin

et al. 2018

Zirconium in the Nuclear Industry: 18th International Symposium

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The corrosion process (oxidation and hydriding) of the zirconium alloy cladding is one of the limiting factors on the fuel rod lifetime, in particular for the Zircaloy-4 alloy. The corrosion rate of this alloy shows indeed a great acceleration at high burn-up in Light Water Reactors. Understanding the corrosion behavior under irradiation for this alloy is an important technological issue for the safety and efficiency of LWRs. In particular, understanding the effect of irradiation on the metal and the oxide layers is a key parameter in the study of corrosion behavior of zirconium alloys. Zircaloy-4 samples have undergone helium and proton ion-irradiation up to 0.3 dpa forming a uniform defect distribution up to 1 µm deep. Both as-received and pre-corroded samples have been irradiated in order to compare the effect of metal irradiation to that of oxide layer irradiation. After irradiation, samples have been corroded in order to study the impact of irradiation defects in the metal and in preexisting oxide layers on the formation of new oxide layers. Synchrotron X-ray micro-diffraction and micro-fluorescence are used to follow the evolution of oxide crystallographic phases, texture and stoichiometry both in the metal and in the oxide in cross-section. In particular, the tetragonal oxide phase fraction, which has been known to have an important role on corrosion behavior, is mapped in both unirradiated and irradiated metal at the sub-micron scale and appears to be significantly affected by irradiation. These observations, complemented with electron microscopy analyses on samples in carefully chosen areas of interest are combined in order to fully characterize changes due to irradiation in metal and oxide phases of both alloys.

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“…The tetragonal and cubic phases are metastable at room temperature, but both modelling and experimental results suggest that these phases can be stabilized by oxygen vacancies [32,33], stress [34,35] and cation dopants [36,37]. The obvious question is which are the dominant mechanism(s) that may stabilise these metastable phases under the conditions experienced in service.…”

Section: Phase Transformations and Stabilisation Mechanisms Under Irradiationmentioning

confidence: 99%

“…The obvious question is which are the dominant mechanism(s) that may stabilise these metastable phases under the conditions experienced in service. From modelling studies, Fabris et al [32] and Raza et al [33] have…”

Section: Phase Transformations and Stabilisation Mechanisms Under Irradiationmentioning

confidence: 99%

“…Anionic point defects generate stronger strain fields than Zr point defects [38], and the structural distortions around oxygen vacancies can affect the relative stability of the cubic phase [39,40]. Incorporating oxygen vacancies at concentrations as low as 3 at% is predicted to stabilize the high-temperature cubic phase at room temperature [33]. An attempt to quantify the concentration of defects in irradiated zirconia using molecular dynamics simulations [41] predicted that a 30 keV Zr recoil can create 0.0016 displacements per atom (dpa) and ~ 0.08 at% of both interstitials and vacancies in the cascade.…”

Section: Phase Transformations and Stabilisation Mechanisms Under Irradiationmentioning

confidence: 99%

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In-situ TEM study of irradiation-induced damage mechanisms in monoclinic-ZrO2

Liu

Mir

et al. 2020

Acta Materialia

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We have investigated the microstructural and crystallographic evolution of nanocrystalline zirconia under heavy ion irradiation using in-situ transmission electron microscopy (TEM) and have studied the atomic configurations of defect clusters using aberration-corrected scanning transmission electron microscopy (STEM). Under heavy ion irradiation the monoclinic-ZrO2 is observed to transform into cubic phase, stabilised by the strain induced by irradiationinduced defect clusters. We suggest that the monoclinic-to-cubic transformation is martensitic in nature with an orientation relationship identified to be (100)m∥(100)c and [001]m∥[001]c. By increasing the damage dose, both the formation of voids and irradiationinduced grain growth were observed. A model for the formation of voids is proposed, taking defect interactions into consideration. The study has also demonstrated that high resolution orientation mapping by transmission Kikuchi diffraction (TKD) combined with in-situ irradiation in a TEM is a powerful method to probe the mechanisms controlling irradiationinduced processes, including grain boundary migration, phase transformations and texture evolution.

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Oxygen vacancy stabilized zirconia (OVSZ); a joint experimental and theoretical study

Cited by 56 publications

References 49 publications

Promoting the Electrocatalytic Activity of Ti₃C₂T_x MXene by Modulating CO₂ Adsorption through Oxygen Vacancies for High‐Performance Lithium‐Carbon Dioxide Batteries

Promoting the Electrocatalytic Activity of Ti₃C₂T_x MXene by Modulating CO₂ Adsorption through Oxygen Vacancies for High‐Performance Lithium‐Carbon Dioxide Batteries

Microstructure Evolution in Ion-Irradiated Oxidized Zircaloy-4 Studied with Synchrotron Radiation Microdiffraction and Transmission Electron Microscopy

In-situ TEM study of irradiation-induced damage mechanisms in monoclinic-ZrO2

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Oxygen vacancy stabilized zirconia (OVSZ); a joint experimental and theoretical study

Cited by 56 publications

References 49 publications

Promoting the Electrocatalytic Activity of Ti3C2Tx MXene by Modulating CO2 Adsorption through Oxygen Vacancies for High‐Performance Lithium‐Carbon Dioxide Batteries

Promoting the Electrocatalytic Activity of Ti3C2Tx MXene by Modulating CO2 Adsorption through Oxygen Vacancies for High‐Performance Lithium‐Carbon Dioxide Batteries

Microstructure Evolution in Ion-Irradiated Oxidized Zircaloy-4 Studied with Synchrotron Radiation Microdiffraction and Transmission Electron Microscopy

In-situ TEM study of irradiation-induced damage mechanisms in monoclinic-ZrO2

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Promoting the Electrocatalytic Activity of Ti₃C₂T_x MXene by Modulating CO₂ Adsorption through Oxygen Vacancies for High‐Performance Lithium‐Carbon Dioxide Batteries

Promoting the Electrocatalytic Activity of Ti₃C₂T_x MXene by Modulating CO₂ Adsorption through Oxygen Vacancies for High‐Performance Lithium‐Carbon Dioxide Batteries