Results 1 to 10 of about 83,588 (201)

Research Update: Plentiful magnetic moments in oxygen deficient SrTiO3

APL Materials, 2015
Correlated band theory is employed to investigate the magnetic and electronic properties of different arrangements of oxygen di- and tri-vacancy clusters in SrTiO3.
Alejandro Lopez-Bezanilla, P. Ganesh, Peter B. Littlewood   +2 more
doaj   +3 more sources

Oxygen vacancy defects engineering on Cu-doped Co3O4 for promoting effective COS hydrolysis

Green Energy & Environment, 2023
The activation of H2O is a key step of the COS hydrolysis, which may be tuned by oxygen vacancy defects in the catalysts. Herein, we have introduced Cu into Co3O4 to regulate the oxygen vacancy defect content of the catalysts.
Guanyu Mu, Yan Zeng, Yong Zheng, Yanning Cao, Fujian Liu, Shijing Liang, Yingying Zhan, Lilong Jiang   +7 more
doaj   +3 more sources

Oxygen vacancy-induced strengthening and toughening in (K,Na)NbO3-based piezoceramics revealed via nanoindentation [PDF]

Nature Communications
Dislocations are emerging as a pivotal factor for tailoring ceramics’ functional and mechanical properties. The introduction of point defects, notably oxygen vacancies, is unavoidable during the conventional sintering process in polycrystalline ceramics.
Zhidong Zhang, Bin Yang, Longyu Chen, Zaoli Zhang, Jinming Guo   +4 more
doaj   +2 more sources

Ab-initio study of oxygen vacancies in alpha-quartz [PDF]

Journal of Non-Crystalline Solids, 1997
Extrinsic levels, formation energies, and relaxation geometries are calculated ab initio for oxygen vacancies in alpha-quartz SiO2. The vacancy is found to be thermodynamically stable in the charge states Q=+3, Q=0, Q=--2, and Q=-3.
Allan, Baldereschi, Boero, C.M. Carbonaro, Ceperley, DiStefano, Dreizler, Griscom, Griscom, Halliburton, King-Smith, Liu, Nishikawa, Perdew, Pickett, Rudra, S. Massidda, Sarnthein, Scherz, Silsbee, Snyder, Vanderbilt, Vincenzo Fiorentini, Warren, Weeks   +24 more
core   +3 more sources

Oxygen Vacancy, Oxygen Vacancy–Vacancy Pairs, and Frenkel Defects in Cubic Lutetium Oxide [PDF]

The Journal of Physical Chemistry C, 2020
Electronic and structural properties of cubic Lu2O3 with either single oxygen vacancy, oxygen vacancy-vacancy pair or a Frenkel pair (oxygen vacancy and interstitial oxygen) were analyzed using ab ...
A. Shyichuk, E. Zych
openaire   +1 more source

Sr Doping and Oxygen Vacancy Formation in La_1−xSr_xScO_3−δ Solid Solutions: Computational Modelling

Crystals, 2022
Sr-doped lanthanum scandate La1−xSrxScO3−δ (LSS) is a promising perovskite-type material for electrochemical applications such as proton conductors. Oxygen vacancy is a common defect in ABO3-type perovskites.
Yuri A. Mastrikov, Denis Gryaznov, Guntars Zvejnieks, Maksim N. Sokolov, Māra Putniņa, Eugene A. Kotomin   +5 more
doaj   +1 more source

Oxygen related defects and vacancy clusters identified in sputtering grown UOx thin films by positron annihilation techniques

Results in Physics, 2021
We experimentally studied the formation of vacancy clusters and oxygen related defects in uranium oxide (UOx) thin films (
C. Macchi, A. Somoza, J. Guimpel, S. Suárez, W. Egger, C. Hugenschmidt, S. Mariazzi, R.S. Brusa   +7 more
doaj   +1 more source

First-principles study on non-radiative carrier captures of point defects associated with proton generation in silica

AIP Advances, 2021
The non-radiative carrier captures of point defects associated with proton generation in both crystalline (α-quartz) and amorphous silica (a-SiO2) have been investigated by using first-principles calculations based on the density functional theory. Major
Yunliang Yue, Haoran Zhu, Xiao Liu, Yu Song, Xu Zuo   +4 more
doaj   +1 more source

Oxygen Vacancy Injection on (111) CeO₂ Nanocrystal Facets for Efficient H₂O₂ Detection

Biosensors, 2022
Facet and defect engineering have achieved great success in improving the catalytic performance of CeO2, but the inconsistent reports on the synergistic effect of facet and oxygen vacancy and the lack of investigation on the heavily doped oxygen vacancy ...
Tong Li, Qi Wang, Zhou Wang
doaj   +1 more source

Oxygen Vacancies in Perovskite Oxide Piezoelectrics [PDF]

Materials, 2020
The excellent electro-mechanical properties of perovskite oxide ferroelectrics make these materials major piezoelectrics. Oxygen vacancies are believed to easily form, migrate, and strongly affect ferroelectric behavior and, consequently, the piezoelectric performance of these materials and devices based thereon.
openaire   +4 more sources