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Автор: Grafiati
Опубліковано: 7 липня 2024

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1

Fantozzi, Gilbert, E. M. Bourim, and Sh Kazemi. "High Damping in Ferroelectric and Ferrimagnetic Ceramics." Key Engineering Materials 319 (September 2006): 157–66. http://dx.doi.org/10.4028/www.scientific.net/kem.319.157.

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High damping materials exhibiting a loss factor higher than 10-2 are generally considered as polymer or metallic materials. But, it will be interesting to consider ferroelectric or ferrimagnetic ceramics, in which internal friction can be due to the motion of ferroelectric or magnetic domains. High level of internal friction can be obtained in these ceramics in a given temperature range. In the case of ferroelectric ceramics, hard ferroelectrics, such as BaTiO3 or PZT, can show some relaxation peaks below the Curie temperature due the motion of domain walls and the interaction between the domain walls and the oxygen vacancies or cationic vacancies. In the case of ferrimagnetic ceramics, some anelastic manifestations due to the ferrimagnetic domain walls appear below the Curie Temperature TC. These peaks are linked to the interaction of domain walls with cation vacancies or cation interstitials or the lattice. Above the Curie temperature, a relaxation mechanism due to the exchange of cations Mn3+ and their vacancies on octahedral sites should occur.
2

Crépisson, Céline, Hélène Bureau, Marc Blanchard, Jannick Ingrin, and Etienne Balan. "Theoretical infrared spectrum of partially protonated cationic vacancies in forsterite." European Journal of Mineralogy 26, no. 2 (April 11, 2014): 203–10. http://dx.doi.org/10.1127/0935-1221/2014/0026-2366.

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3

Zhao, Baohuai, Rui Ran, Li Sun, Xingguo Guo, Xiaodong Wu та Duan Weng. "NO catalytic oxidation over an ultra-large surface area LaMnO3+δ perovskite synthesized by an acid-etching method". RSC Advances 6, № 74 (2016): 69855–60. http://dx.doi.org/10.1039/c6ra12308b.

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After etched by acid solution, abundant cationic vacancies appear in A sites of the perovskite structure, leading to a loose structural framework which may contribute the extra surface area, the formation of oxygen vacancies and Mn4+.
4

Zhang, Renpeng, Zhongwei Wang, Yanlong Ma, Yu Yan, and Lijie Qiao. "Effect of Cationic/Anionic Diffusion Dominated Passive Film Growth on Tribocorrosion." Metals 12, no. 5 (May 5, 2022): 798. http://dx.doi.org/10.3390/met12050798.

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Tribocorrosion behaviours of nickel(Ni) and (niobium)Nb in sodium sulfate(Na2SO4) solution under potentiodynamic and potentiostatic conditions were studied. Under the potentiodynamic condition, the passivation was early broken, accompanied by a sharp increase in frictional coefficient on Nb. The current was more fluctuant, and larger material loss appeared at the higher potential in the potentiostatic condition. However, these phenomena did not occur for Ni, and it even showed lower material loss at the higher potential in the potentiostatic tribocorrosion test. The differences in tribocorrosion behaviour had a close relationship to the passive film growth mechanism, which decided the passive film/metal interface structure. Nb with anionic diffusion dominated mechanism in passive growth would cause the accumulation of oxygen vacancies at the passive film/metal interface. This may weaken the adhesion between the metal and the passive film. However, with the cationic diffusion dominated passive film growth on Ni, cation vacancies concentrated at the passive film/tribo-film interface, and this did not affect the adhesion between metal and passive film. Ni or other passive elements with the cationic diffusion-dominated mechanism in passive film growth were recommended as the alloying element for improving the tribocorrosion resistance of alloys.
5

Liu, Chaofeng, Changkun Zhang, Huanqiao Song, Xihui Nan, Haoyu Fu, and Guozhong Cao. "MnO nanoparticles with cationic vacancies and discrepant crystallinity dispersed into porous carbon for Li-ion capacitors." Journal of Materials Chemistry A 4, no. 9 (2016): 3362–70. http://dx.doi.org/10.1039/c5ta10002j.

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6

Dong, Jinshi, Jun Wang, Lu Shi, Jiaqiang Yang, Jianqiang Wang, Bin Shan та Meiqing Shen. "Hydrogenous spinel γ-alumina structure". Phys. Chem. Chem. Phys. 19, № 40 (2017): 27389–96. http://dx.doi.org/10.1039/c7cp04704e.

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7

Merabet, B., S. Kacimi, A. Mir, M. Azzouz, and A. Zaoui. "Vacancy effects on the electronic structure of MgO compound." Modern Physics Letters B 29, no. 25 (September 20, 2015): 1550147. http://dx.doi.org/10.1142/s021798491550147x.

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We have investigated the possibility to find [Formula: see text] ferromagnetism (FM) in the non-stoichiometric [Formula: see text] compound using the full potential linearized augmented plane wave [Formula: see text] method. We have examined the oxygen vacancy effect on the electronic structure of [Formula: see text] compound realizing the 128 atoms supercell. Our calculations predict that the cation vacancies cause the FM in [Formula: see text], where the magnetism is often created by the oxygen atoms nearest neighbors of the Mg vacant site, with a spin magnetic moment of 0.21 [Formula: see text]B/atom. We have reported a strong evidence of the existence of FM at room temperature, as we extended our studies to demonstrate the ability to induce intrinsic magnetic moments in MgO with cationic vacancies (Mg).
8

Cortés-Gil, Raquel, José M. Alonso, M. Luisa Ruiz-González, and José M. González-Calbet. "Topotactic Migration of Cationic Vacancies in La1-tMn1-tO3." European Journal of Inorganic Chemistry 2010, no. 22 (June 16, 2010): 3436–40. http://dx.doi.org/10.1002/ejic.201000086.

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9

Caignaert, Vincent, Olivier Perez, Philippe Boullay, Md Motin Seikh, Nahed Sakly, Vincent Hardy, and Bernard Raveau. "Oxygen over stoichiometry in the 2H-perovskite related structure: the route to a large family of cation deficient Ising chain oxides Sr1+y[(Mn1−xCox)1−z□z]O3." Journal of Materials Chemistry C 8, no. 41 (2020): 14559–69. http://dx.doi.org/10.1039/d0tc03880f.

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Considering the incommensurability of the Co–Mn spin chain oxides, the concept of oxygen over stoichiometry associated with cationic vacancies is demonstrated and quantified, allowing the design of fragmented Ising chain magnet derivatives.
10

Panteix, P. J., I. Julien, P. Abélard, and D. Bernache-Assollant. "Influence of cationic vacancies on the ionic conductivity of oxyapatites." Journal of the European Ceramic Society 28, no. 4 (January 2008): 821–28. http://dx.doi.org/10.1016/j.jeurceramsoc.2007.07.019.

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11

Zhang, Xiaolei, Yingge Zhang, Hongfen Li, Yinghui Wang, Maobi Xiang, Wenying Yu, Hongwei Huang, and Hongling Ou. "Surface cationic and anionic dual vacancies enhancing photocatalytic activity of Bi2WO6." Applied Surface Science 602 (November 2022): 154311. http://dx.doi.org/10.1016/j.apsusc.2022.154311.

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12

Koketsu, Toshinari, Jiwei Ma, Benjamin J. Morgan, Monique Body, Christophe Legein, Pooja Goddard, Olaf J. Borkiewicz, Peter Strasser, and Damien Dambournet. "Exploiting cationic vacancies for increased energy densities in dual-ion batteries." Energy Storage Materials 25 (March 2020): 154–63. http://dx.doi.org/10.1016/j.ensm.2019.10.019.

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13

Pal, A., and P. Murugavel. "Impact of cationic vacancies on the physical characteristics of multiferroic GdMnO3." Journal of Applied Physics 123, no. 23 (June 21, 2018): 234102. http://dx.doi.org/10.1063/1.5029509.

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14

Spitsyn, V. I., A. I. Lebedeva, T. K. Yurik, and L. I. Barsova. "Radiation-stimulated aggregation of cationic vacancies in magnesium oxide single crystals." Bulletin of the Academy of Sciences of the USSR Division of Chemical Science 35, no. 4 (April 1986): 677–81. http://dx.doi.org/10.1007/bf00954205.

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15

Tabary, P., та C. Servant. "Crystalline and microstructure study of the AlN–Al2O3section in the Al–N–O system. I. Polytypes and γ-AlON spinel phase". Journal of Applied Crystallography 32, № 2 (1 квітня 1999): 241–52. http://dx.doi.org/10.1107/s0021889898012485.

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The crystalline structure and microstructure of some phases of the pseudo-binary system AlN–Al2O3are discussed, with special attention to the γ spinel phase. Samples with AlN content ranging between 43.3 and 3.5 mol % were studied after different thermal treatments. X-ray and neutron diffraction Rietveld peak-profile refinement allowed the determination of the cell parameters and weight fraction of the phases. By checking different hypotheses of structure, it has been shown that the positions of the anions in the γ-AlON spinel phase are not ideal and correspond to a deformed face-centred cubic (f.c.c.) structure. This deviation is not due to the presence of vacancies in the cationic sublattice. The vacancies are distributed in the octahedral sites.
16

Fuchs, Yves, Chloé Fourdrin, and Etienne Balan. "Theoretical OH stretching vibrations in dravite." European Journal of Mineralogy 34, no. 2 (April 13, 2022): 239–51. http://dx.doi.org/10.5194/ejm-34-239-2022.

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Abstract. Density functional theory is used to investigate the vibrational stretching properties of OH groups in ideal and chemically disordered dravite models. Different schemes of cationic occupancy are considered, including the occurrence of vacancies at the X site and Mg–Al inversion between the Y and Z sites. The harmonic coupling between different OH groups is found to be smaller than 1 cm−1, indicating that the OH stretching dynamic in dravite can be described by considering a collection of nearly independent single OH oscillators. Their harmonic stretching frequency is linearly correlated with the corresponding OH bond length and most of the bands observed in the experimental vibrational spectra can be interpreted as consequences of the cationic occupancy of the sites coordinated to the OH group. The V(OH) and W(OH) stretching frequencies are affected by the Mg–Al inversion and by the presence of vacancies at the X site. In this last case, the frequencies depend on the isolated or more concentrated character of the X vacancy distribution along the c axis. Based on theoretical stretching frequencies, new interpretations are proposed for some of the bands experimentally observed in synthetic samples of dravite and magnesio-foitite.
17

Ahmed, Moustafa, Yas M. Al-Hadeethi, Ali M. Abdel-Daiem, and Essam R. Shaaban. "Structural, Optical, Electric and Magnetic Characteristics of (In1−xGdx)2O3 Films for Optoelectronics." Materials 16, no. 6 (March 10, 2023): 2226. http://dx.doi.org/10.3390/ma16062226.

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After (In1−xGdx)2O3 powder with a wide x range of 0 to 10 at.% was chemically produced, (In1−xGdx)2O3 thin films were evaporated under ultra-vacuum using an electron beam apparatus. We investigated the influence of the Gd doping concentration on the magnetic, optical, electrical, and structural properties of the resultant In2O3 deposits. The produced Gd-doped In2O3 films have a cubic In2O3 structure without a secondary phase, as shown by the X-ray diffraction results. Additionally, the chemical analysis revealed that the films are nearly stoichiometric. A three-layer model reproduced the spectroscopic ellipsometer readings to determine the optical parameters and energy gap. The Egopt changed toward the lower wavelength with growing the Gd doping in (In1−xGdx)2O3 films. The Egopt in the (In1−xGdx)2O3 films was observed to increase from 3.22 to 3.45 eV when the Gd concentration climbed. Both carrier concentration and hall mobility were found during the Hall effect studies. It was possible to construct the heterojunction of Ni (Al)/n-(In1−xGdx)2O3/p-Si/Al. At voltages between −2 and 2 volts, investigations into the dark (cutting-edge-voltage) characteristics of the produced heterojunctions were made. The oxygen vacancies and cationic defects in the lattice caused by the uncompensated cationic charges resulted in significant magnetism and ferromagnetic behavior in the undoped In2O3 films. The (In1−xGdx)2O3 films, however, displayed faint ferromagnetism. The ferromagnetism seen in the (In1−xGdx)2O3 films was caused by oxygen vacancies formed during the vacuum film production process. Metal cations created ferromagnetic exchange interactions by snatching free electrons in oxygen.
18

Balan, Etienne, Lorenzo Paulatto, Jia Liu, and Jannick Ingrin. "Low-temperature infrared spectrum and atomic-scale structure of hydrous defects in diopside." European Journal of Mineralogy 32, no. 5 (October 14, 2020): 505–20. http://dx.doi.org/10.5194/ejm-32-505-2020.

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Abstract. Hydrous defects in diopside (CaMgSi2O6) play an important role in the water budget of the Earth's mantle. Related OH-stretching modes lead to a variety of infrared absorption bands observed in natural or experimental samples. In the present study, we report new low-temperature infrared spectra of reference natural diopside samples in the OH-stretching range. In parallel, the structure and vibrational properties of a series of OH-bearing defects in diopside are theoretically determined at the density functional theory level. The infrared spectra make it possible to resolve additional bands in the region above 3600 cm−1 and reveal that their anharmonic behavior differs from that of the bands at lower frequency. A comparison of theoretical results with experimental data makes it possible to propose atomic-scale geometries corresponding to observed OH-stretching bands. It confirms that the bands observed at 3620–3651 cm−1 are related to M3+ ions substituted for Si in tetrahedral sites, while the 3420 cm−1 band is associated with the Na+ for Ca2+ substitution. In both cases, H+ incorporation compensates the charge deficit due to the heterovalent substitution. The other major mechanism of water incorporation in diopside relates to the charge compensation of cationic vacancies, among which Ca vacancies play a central role. The 3357 cm−1 band corresponds to doubly protonated Ca vacancies in pure diopside. In experimental diopside-bearing trivalent cations, the bands at 3432–3460 cm−1 correspond to singly protonated Ca vacancies with a nearby octahedral M3+ ion, while the 3310 cm−1 band likely involves a more remote charge compensation by M3+ ions. More complex defects associating Ca vacancies with tetrahedral M3+ and octahedral Ti4+ ions are proposed for the bands observed between 3500 and 3600 cm−1 in natural diopside. The Fe2+ for Mg2+ and Fe2+ for Ca2+ substitutions are also found to affect nearby OH-bearing defects, causing a shift and broadening of OH stretching bands in chemically more complex diopside samples.
19

Boix, T., F. Sapiña, Z. El-Fadli, E. Martinez, A. Beltrán, J. Vergara, R. J. Ortega, and K. V. Rao. "Electronic Properties of Mixed Valence Manganates: the Role of the Cationic Vacancies." Chemistry of Materials 10, no. 6 (June 1998): 1569–75. http://dx.doi.org/10.1021/cm970749h.

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20

Hernando, Antonio, M. Luisa Ruiz-González, Omar Diaz, José M. Alonso, José L. Martínez, Andrés Ayuela, José M. González-Calbet, and Raquel Cortés-Gil. "Tuning Magnetoconductivity in LaMnO3 NPs through Cationic Vacancy Control." Nanomaterials 13, no. 10 (May 10, 2023): 1601. http://dx.doi.org/10.3390/nano13101601.

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The inclusion of La-Mn vacancies in LaMnO3 nanoparticles leads to a noticeable change in conductivity behavior. The sample retains its overall insulator characteristic, with a typical thermal activation mechanism at high temperatures, but it presents high magnetoconductivity below 200 K. The activation energy decreases linearly with the square of the reduced magnetization and vanishes when the sample is magnetized at saturation. Therefore, it turns out that electron hopping between Mn3+ and Mn4+ largely contributes to the conductivity below the Curie temperature. The influence of the applied magnetic field on conductivity also supports the hypothesis of hopping contribution, and the electric behavior can be explained as being due to an increase in the hopping probability via spin alignment.
21

Sokolenko, E. V., E. S. Buyanova, Z. A. Mikhaylovskaya, and G. V. Slusarev. "Ab initio calculation of the electronic structure of a solid solution of strontium-bismuth molybdat." Journal of Physics: Conference Series 2094, no. 2 (November 1, 2021): 022043. http://dx.doi.org/10.1088/1742-6596/2094/2/022043.

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Abstract Scheelite-like compounds based on SrMoO4 have been studied. Based on X–ray structural data, models of Sr1-3xBi2xMoO4 structures (x=0.2125) are constructed, at x≧0.175, a superstructural ordering is observed associated with the location of cationic vacancies. From the first principles, calculations of the density of states in the vicinity of the forbidden zone are performed. The calculated values of the band gap width were compared with the values obtained from the reflection spectra.
22

Arroyo, A., J. M. Alonso, R. Cortés-Gil, J. M. González-Calbet, A. Hernando, J. M. Rojo, and M. Vallet-Regı́. "Room-temperature CMR in manganites with 50% Mn4+ by generation of cationic vacancies." Journal of Magnetism and Magnetic Materials 272-276 (May 2004): 1748–50. http://dx.doi.org/10.1016/j.jmmm.2003.12.740.

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23

Novikov, V. V., K. S. Pilipenko, A. V. Matovnikov, N. V. Mitroshenkov, B. I. Kornev, M. S. Likhanov, A. S. Tyablikov, and A. V. Shevelkov. "Dynamics of the crystal structure of tin-based type-I clathrates with different degrees of disorder in their cationic frameworks." Phys. Chem. Chem. Phys. 19, no. 40 (2017): 27725–30. http://dx.doi.org/10.1039/c7cp05023b.

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The temperature dependencies of heat capacity and cubic unit cell parameter for type-I clathrates were obtained to determine the influence of the concentration of vacancies and substituting atoms on the lattice dynamics.
24

Latie, L., G. Villeneuve, Ch Cros, and P. Hagenmuller. "Influence of Cationic Vacancies on the Mobility of Li+ Ions in Some Cation-Deficient Materials. An NMR Study." physica status solidi (b) 128, no. 2 (April 1, 1985): 475–82. http://dx.doi.org/10.1002/pssb.2221280212.

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25

Li, Wei, Dario Corradini, Monique Body, Christophe Legein, Mathieu Salanne, Jiwei Ma, Karena W. Chapman, et al. "High Substitution Rate in TiO2 Anatase Nanoparticles with Cationic Vacancies for Fast Lithium Storage." Chemistry of Materials 27, no. 14 (July 2, 2015): 5014–19. http://dx.doi.org/10.1021/acs.chemmater.5b01407.

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26

Wang, J. A., A. Morales, X. Bokhimi, O. Novaro, T. López, and R. Gómez. "Cationic and Anionic Vacancies in the Crystalline Phases of Sol−Gel Magnesia−Alumina Catalysts." Chemistry of Materials 11, no. 2 (February 1999): 308–13. http://dx.doi.org/10.1021/cm9805471.

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27

Reveles, J. Ulises, Andreas M. Köster, Shiv N. Khanna, and Carlos Quintanar. "Surface Oxygen Diffusion into Neutral, Cationic, and Dicationic Oxygen Vacancies on MgO(100) Surfaces." Journal of Physical Chemistry C 114, no. 28 (June 29, 2010): 12265–70. http://dx.doi.org/10.1021/jp1040184.

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28

Liu, Xiaomeng, Lanling Zhao, Haoran Xu, Qishun Huang, Yueqing Wang, Chuanxin Hou, Yuyang Hou, Jun Wang, Feng Dang, and Jintao Zhang. "Tunable Cationic Vacancies of Cobalt Oxides for Efficient Electrocatalysis in Li–O 2 Batteries." Advanced Energy Materials 10, no. 40 (September 2, 2020): 2001415. http://dx.doi.org/10.1002/aenm.202001415.

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29

Huang, Jiangfeng, Chao Wang, Yin Huang, Yanchen Jiang, Jingwen Sun, Liang Xue, and Junwu Zhu. "Activating electrochemically inert ZnMn2O4 via a synergistic effect of cationic and anionic dual vacancies." Journal of Energy Storage 88 (May 2024): 111553. http://dx.doi.org/10.1016/j.est.2024.111553.

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30

Lee, Hwanseok, Kanghee Jo, Min-sung Park, Taewoo Kim, and Heesoo Lee. "Destabilization and Ion Conductivity of Yttria-Stabilized Zirconia for Solid Oxide Electrolyte by Thermal Aging." Materials 15, no. 19 (October 7, 2022): 6947. http://dx.doi.org/10.3390/ma15196947.

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The degradation behavior of yttria-stabilized zirconia by thermal aging was investigated in terms of phase transformation, local atomic structure, and electrical conductivity. The average grain size of 8YSZ was increased from 20.83 μm to 25.81 μm with increasing aging temperature. All 8YSZ samples degraded at different temperatures had a predominantly cubic structure. The (400) peak of 8YSZ deteriorated at 1300 and 1400 °C shifted to a high angle, and the peak of tetragonal was not indexed. For 8YSZ degraded at 1500 °C, the (400) peak shifted to a lower angle, and the peak of tetragonal was identified. Analysis of the local microstructure of aged 8YSZ using extended X-ray absorption fine structure showed that the intensity of the Zr-O peak gradually increased and that the intensity of the peak of cationic Zr decreased as the aging temperature increased. The changes in the peaks indicate that the oxygen vacancies were reduced and Y3+ ions escaped from the lattice, leading to the destabilization of 8YSZ. The activation energies of 8YSZ at 1300 °C and 1400 °C were derived to be 0.86 and 0.87 eV, respectively, and the activation energy of 8YSZ at 1500 °C increased significantly to 0.92 eV. With the thermal deterioration of 8YSZ, the cation (Y3+) escaped from the lattice and the number of oxygen vacancies decreased, resulting in the formation of a tetragonal structure and high activation energy at 1500 °C.
31

Спиридонов, Д. М., Д. В. Чайкин, Н. А. Мартемьянов, А. С. Вохминцев та И. А. Вайнштейн. "Особенности спектрально-разрешенной термолюминесценции в облученных микрокристаллах нитрида алюминия". Журнал технической физики 128, № 9 (2020): 1318. http://dx.doi.org/10.21883/os.2020.09.49872.43-20.

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The regularities of photo- and thermoluminescence processes in submicrosized AlN crystals with cationic deficiency after UV excitation are studied. The observed emission spectra are a superposition of Gaussian bands with maxima at 3.0 and 2.5 eV. The indicated spectral features are due to electronic transitions involving ON impurity and (VAl –ON) oxygen-vacancy complexes. According to a quantitative analysis in the framework of the general order kinetics, carrier capture centers based on VN nitrogen vacancies have an activation energy of 0.45 eV and are responsible for the forming of the thermally stimulated luminescence with maximum at a temperature of 345 K.
32

Rahimi, Rahmatollah, Masoumeh Mahjoub Moghaddas, and Solmaz Zargari. "SbVO4-TiO2 Cation Deficient Photocatalyst: Synthesis and Photocatalytic Investigation." Advanced Materials Research 702 (May 2013): 51–55. http://dx.doi.org/10.4028/www.scientific.net/amr.702.51.

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For the first time antimony vanadium oxide-TiO2(SbV-T) nanocomposite was synthesized via sol-gel method to improve the photocatalytic efficiency of TiO2. The samples were characterized by FT-IR, XRD, SEM, EDX, and DRS. To investigate the photocatalytic activity of the samples, the photodegradation of methyl orange was carried out under visible light irradiation with pure TiO2, SbVO4, and SbVO4-TiO2nanocomposite. The SbV-T photocatalyst exhibited higher visible light driven photocatalytic efficiency to degrade MO dye. Furthermore the effect of SbVO4 and cationic vacancies in the photocatalytic activity of the SbV-T sample are described.
33

Halem, N., Lukasz Cieniek, J. Kusinski, Gianguido Baldinozzi, C. Petot, and Georgette Petot-Ervas. "The Effect of CaO Coatings on the Oxidation Behaviour of Polycrystalline Nickel between 800 and 1200 °C." Materials Science Forum 595-598 (September 2008): 1075–81. http://dx.doi.org/10.4028/www.scientific.net/msf.595-598.1075.

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The present study is concerned with the influence of sputter-coatings CaO on the oxidation behavior of Ni polycrystals. The experiments were performed in air, in the temperature range 800°-1200°C. Below 1200°C, CaO coatings reduce the oxidation rate, while this beneficial effect disappears at 1200 °C. The oxidized specimens were examined by SEM and X-Ray diffraction, but also by EPMA depth profiling to evaluate the scale composition. Furthermore, electrical conductivity measurements and kinetic demixing studies were carried out on Ca-doped NiO single crystals, to get a better insight regarding the transport processes involved during oxidation. These last results show that the key features allowing to explain the effect of CaOcoatings on the oxidation rate of Ni are the influence of calcium on the increase of the dissociation pressure of NiO, which delays the oxidation of nickel, the kinetic demixing of the cations, which controls the distribution of CaO precipitates in the scale responsible for blocking effects, and the increase of the diffusion coefficient of both the cations and the cationic vacancies, which play a decisive role at high temperature, when the scale growth is dominated by lattice diffusion.
34

Oh, Gwangeon, and Jang-Yeon Hwang. "Enhancing the Electrochemical Properties of the Layered-Type K0.4V2O5 Cathode Materials through Cationic Metal Substitution in K Sites." ECS Meeting Abstracts MA2023-01, no. 3 (August 28, 2023): 783. http://dx.doi.org/10.1149/ma2023-013783mtgabs.

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Layered-type K0.4V2O5 have been widely investigated as cathode materials for potassium-ion batteries (PIBs) due to their high specific capacity. [1,2] However, sluggish intercalation kinetics of K ions into their crystal structure generally result in drastic capacity fading and poor power capability. [3] Here, we present significantly enhanced K-ion storage performances of the layered-type K0.4V2O5 cathode enabled by substitution of cationic metal for K-site. Density functional theory calculations data indicates that cationic metal prefer to occupy the K-site than transition metal layer. During charge and discharge process, inactive cationic metal acts as a pillar, thereby suppressing the irreversible phase transition and structural deterioration. In addition, cationic metal creates vacancies at k site, improving K-ion diffusion kinetics. Compared to K0.4V2O5, the modified cathode demonstrated the better cycling stability and power capability. A insitu X-ray diffraction and X-ray absorption near edge structure was used to verify role of cationic metal in improving electrochemical performance of the K0.4V2O5 cathode. Deng, X. Niu, G. Ma, Z. Yang, L. Zeng, Y. Zhu, L. Guo. Layered Potassium Vanadate K0.5V2O5 as a Cathode Material for Nonaqueous Potassium Ion Batteries, Adv. Func. Mater. 28 (2018) 1800670. Yang, Z. Liu, L. Deng, L. Tan, X. Niu, M. M. S. Sanad, L. Zeng, Y. Zhu. A Non-Topotactic Redox Reaction enabled K2V3O8 as a High Voltage Cathode Material for Potassium-Ion Batteries, Chem. Commun. 55 (2019) 14988–14991. Q. Fu, A. Sarapulove, L. Zhu, G. Melinte, A. Missyul, E. Welter, X. Luo, M. Knapp, H. Ehrenberg, S. Dsoke. In Operando Study of Orthorhombic V2O5 as Positive Electrode Materials for K-Ion Batteries, J. Energy Chem. 62 (2021) 627–636.
35

Bi, Hongwei, Shengli Zhu, Yanqin Liang, Hui Jiang, Zhaoyang Li, Shuilin Wu, Hao Wei, Chuntao Chang, and Zhenduo Cui. "Highly reversible electrochemical magnesium/lithium insertion performance in TiO2(B) nanosheets with Ti cationic vacancies." Chemical Engineering Journal 442 (August 2022): 136146. http://dx.doi.org/10.1016/j.cej.2022.136146.

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36

Dambournet, Damien. "Cationic Vacancies in Anatase (TiO2): Synthesis, Defect Characterization, and Ion-Intercalation Properties." Accounts of Chemical Research 55, no. 5 (February 10, 2022): 696–706. http://dx.doi.org/10.1021/acs.accounts.1c00728.

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37

Torres-Pardo, A., R. Jiménez, J. M. González-Calbet, and E. García-González. "Room Temperature Ferroelectricity in Na1−xSrx/2◻x/2NbO3through the Introduction of Cationic Vacancies." Chemistry of Materials 20, no. 22 (November 25, 2008): 6957–64. http://dx.doi.org/10.1021/cm802101r.

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38

Padole, Manjusha C., Bhanu P. Gangwar, Aman Pandey, Aditi Singhal, Sudhanshu Sharma, and Parag A. Deshpande. "Adsorption of C2 gases over CeO2-based catalysts: synergism of cationic sites and anionic vacancies." Physical Chemistry Chemical Physics 19, no. 21 (2017): 14148–59. http://dx.doi.org/10.1039/c7cp01207a.

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39

Jeanjean, J., S. McGrellis, J. C. Rouchaud, M. Fedoroff, A. Rondeau, S. Perocheau, and A. Dubis. "A Crystallographic Study of the Sorption of Cadmium on Calcium Hydroxyapatites: Incidence of Cationic Vacancies." Journal of Solid State Chemistry 126, no. 2 (November 1996): 195–201. http://dx.doi.org/10.1006/jssc.1996.0329.

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40

Kong, Zhenyu, Daohao Li, Rongsheng Cai, Tao Li, Lipeng Diao, Xiaokang Chen, Xiaoxia Wang, Huajun Zheng, Yi Jia, and Dongjiang Yang. "Electron-rich palladium regulated by cationic vacancies in CoFe layered double hydroxide boosts electrocatalytic hydrodechlorination." Journal of Hazardous Materials 463 (February 2024): 132964. http://dx.doi.org/10.1016/j.jhazmat.2023.132964.

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41

Bugaris, Daniel E., and Hans-Conrad zur Loye. "Li3Al(MoO4)3, a lyonsite molybdate." Acta Crystallographica Section C Crystal Structure Communications 68, no. 6 (May 16, 2012): i34—i36. http://dx.doi.org/10.1107/s0108270112020513.

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Trilithium aluminium trimolybdate(VI), Li3Al(MoO4)3, has been grown as single crystals from α-Al2O3and MoO3in an Li2MoO4flux at 998 K. This compound is an example of the well known lyonsite structure type, the general formula of which can be written asA16B12O48. Because this structure can accomodate cationic mixing as well as cationic vacancies, a wide range of chemical compositions can adopt this structure type. This has led to instances in the literature where membership in the lyonsite family has been overlooked when assigning the structure type to novel compounds. In the title compound, there are two octahedral sites with substitutional disorder between Li+and Al3+, as well as a trigonal prismatic site fully occupied by Li+. The (Li,Al)O6octahedra and LiO6trigonal prisms are linked to form hexagonal tunnels along the [100] axis. These polyhedra are connected by isolated MoO4tetrahedra. Infinite chains of face-sharing (Li,Al)O6octahedra extend through the centers of the tunnels. A mixed Li/Al site, an Li, an Mo, and two O atoms are located on mirror planes.
42

Lesnichyova, Alyona, Semyon Belyakov, Anna Stroeva, Sofia Petrova, Vasiliy Kaichev та Anton Kuzmin. "Densification and Proton Conductivity of La1-xBaxScO3-δ Electrolyte Membranes". Membranes 12, № 11 (31 жовтня 2022): 1084. http://dx.doi.org/10.3390/membranes12111084.

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Bain La1-xBaxScO3-δ impairs sintering and leads to a decrease in its ceramic density. Two approaches have been studied for obtaining dense ceramics: using a high processing temperature and the introduction of a Co3O4 sintering additive. An addition of only 0.5 wt% of Co3O4 sintering additive, despite the positive sintering effect, causes a noticeable violation of stoichiometry, with partial decomposition of the material. This can lead to the formation of cationic vacancies, which form associates with oxygen vacancies and significantly reduce the oxygen ion and proton conductivity of the materials. There is also a partial substitution of Co for Sc in La1-xBaxScO3-δ, which reduces the stability of protons: it reduces the enthalpy of the hydration reaction, but increases the mobility of protons. Thus, the Co3O4 sintering additive causes a complex of negative effects on the conductivity of La1-xBaxScO3-δ materials. Only high-temperature (1800 °C) processing with protection against Ba loss contributes to the production of dense La1-xBaxScO3-δ ceramics. The chemical composition of such ceramics corresponds well to the specified one, which ensures high water uptake and, consequently, high proton conductivity.
43

Stanimirova, Tsveta, Rositsa Nikolova, and Nadia Petrova. "Crystal Structure of New Zinc-Hydroxy-Sulfate-Hydrate Zn4(OH)6SO4·2–2.25H2O." Crystals 14, no. 2 (February 12, 2024): 183. http://dx.doi.org/10.3390/cryst14020183.

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A theoretical model of the crystal structure of the newly obtained compound Zn4(OH)6SO4·2–2.25H2O based on the compilation of the crystal–chemical properties of two known zinc-hydroxy-sulfate phases—mineral namuwite and hemihydrate—is proposed. The single XRD data confirmed the model and determined the structure, with a trigonal symmetry SG of P-3, the unit cell with a = 8.3418(15) Å and c = 17.595(7) Å, and a cell volume of 1060.3(6) Å3, with Z = 2. The results show that the Zn4(OH)6SO4·2–2.5H2O crystal structure consists of an alternating paired octahedral–tetrahedral doubly decorated hydroxide layer with cationic vacancies and an aqueous interlayer.
44

Sabaté, Ferran, and María J. Sabater. "Recent Manganese Oxide Octahedral Molecular Sieves (OMS–2) with Isomorphically Substituted Cationic Dopants and Their Catalytic Applications." Catalysts 11, no. 10 (September 24, 2021): 1147. http://dx.doi.org/10.3390/catal11101147.

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The present report describes the structural and physical–chemical variations of the potassium manganese oxide mineral, α–MnO2, which is a specific manganese octahedral molecular sieve (OMS) named cryptomelane (K–OMS–2), with different transition metal cations. We will describe some frequently used synthesis methods to obtain isomorphic substituted materials [M]–K–OMS–2 by replacing the original manganese cationic species in a controlled way. It is important to note that one of the main effects of doping is related to electronic environmental changes, as well as to an increase of oxygen species mobility, which is ultimately related to the creation of new vacancies. Given the interest and the importance of these materials, here, we collect the most recent advances in [M]–K–OMS–2 oxides (M = Ag, Ce, Mo, V, Nb, W, In, Zr and Ru) that have appeared in the literature during the last ten years, leaving aside other metal–doped [M]–K–OMS–2 oxides that have already been treated in previous reviews. Besides showing the most important structural and physic-chemical features of these oxides, we will highlight their applications in the field of degradation of pollutants, fine chemistry and electrocatalysis, and will suggest potential alternative applications.
45

Syrotyuk, S. V. "Influence of Cationic Vacancies and Hydrostatic Pressure on Electronic and Magnetic Properties of Doped ZnTe:Mn Crystal." Acta Physica Polonica A 141, no. 4 (April 2022): 333–37. http://dx.doi.org/10.12693/aphyspola.141.333.

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46

Dambournet, Damien, Alain Demourgues, Charlotte Martineau, Etienne Durand, Jérôme Majimel, Christophe Legein, Jean-Yves Buzaré, et al. "Microwave Synthesis of an Aluminum Fluoride Hydrate with Cationic Vacancies: Structure, Thermal Stability, and Acidic Properties." Chemistry of Materials 20, no. 22 (November 25, 2008): 7095–106. http://dx.doi.org/10.1021/cm8023617.

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47

Torres-Pardo, Almudena, Ricardo Jiménez, Jose M. González-Calbet, and Ester García-González. "Induction of Relaxor Behavior in Na1−xSrx/2◻x/2NbO3through the Introduction of Cationic Vacancies." Chemistry of Materials 21, no. 11 (June 9, 2009): 2193–200. http://dx.doi.org/10.1021/cm9000834.

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48

Garcés, Diana, Cristian F. Setevich, Alberto Caneiro, Gabriel Julio Cuello та Liliana Mogni. "Effect of cationic order–disorder on the transport properties of LaBaCo2O6–δand La0.5Ba0.5CoO3–δperovskites". Journal of Applied Crystallography 47, № 1 (18 січня 2014): 325–34. http://dx.doi.org/10.1107/s1600576713031233.

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A-site cationic ordered LaBaCo2O6−δand disordered La0.5Ba0.5CoO3−δperovskite phases were obtained by solid state reaction. Their structural properties were studied at room temperature and 673 K, by combining powder diffraction techniques, X-ray diffraction and neutron powder diffraction with an independent determination of the oxygen content of the samples by thermogravimetry. La0.5Ba0.5CoO3−δexhibits cubic symmetry with cations randomly distributed, whereas LaBaCo2O6−δshows tetragonal symmetry with the La3+and Ba2+ions distributed in alternating layers. The diffraction data were analyzed using the Rietveld method and different structural and microstructural models. Bond valence and Fourier methods were used to determine bond distances and neutron/electron density maps. LaBaCo2O6−δexhibits a higher concentration of oxygen vacancies than La0.5Ba0.5CoO3−δ, because the O atom is weakly bonded to the LaO layers. The anisotropic atomic displacement and the neutron density distribution suggest a two-dimensional O-migration path for LaBaCo2O6−δand a three-dimensional path for La0.5Ba0.5CoO3−δ.The mechanism of electrical conductivity isviaelectron holes with high mobilities (μLa0.5Ba0.5CoO3−δ= 2.49 cm2 V−1 s−1and μLaBaCo2O6−δ= 1.48 cm2 V−1 s−1at room temperature) and low activation energy (EaLaBaCo2O6−δ = 0.019 eV andEaLa0.5Ba0.5CoO3−δ= 0.030 eV). It has also been found that the higher electronic and ionic conductivities in La0.5Ba0.5CoO3−δcompared to those in LaBaCo2O6−δare due to the higher dimensionality of transport and to greater overlapping between the Co 3dand O 2porbitals.
49

Wang, Jinhua, and Gyaneshwar P. Srivastava. "Tunable Electronic Properties of Lateral Monolayer Transition Metal Dichalcogenide Superlattice Nanoribbons." Nanomaterials 11, no. 2 (February 19, 2021): 534. http://dx.doi.org/10.3390/nano11020534.

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The structural stability and structural and electronic properties of lateral monolayer transition metal chalcogenide superlattice zigzag and armchair nanoribbons have been studied by employing a first-principles method based on the density functional theory. The main focus is to study the effects of varying the width and periodicity of nanoribbon, varying cationic and anionic elements of superlattice parent compounds, biaxial strain, and nanoribbon edge passivation with different elements. The band gap opens up when the (MoS2)3/(WS2)3 and (MoS2)3/(MoTe2)3 armchair nanoribbons are passivated by H, S and O atoms. The H and O co-passivated (MoS2)3/(WS2)3 armchair nanoribbon exhibits higher energy band gap. The band gap with the edge S vacancy connecting to the W atom is much smaller than the S vacancy connecting to the Mo atom. Small band gaps are obtained for both edge and inside Mo vacancies. There is a clear difference in the band gap states between inside and edge Mo vacancies for symmetric nanoribbon structure, while there is only a slight difference for asymmetric structure. The electronic orbitals of atoms around Mo vacancy play an important role in determining the valence band maximum, conduction band minimum, and impurity level in the band gap.
50

Corradi, Gábor, and László Kovács. "‘Horror Vacui’ in the Oxygen Sublattice of Lithium Niobate Made Affordable by Cationic Flexibility." Crystals 11, no. 7 (June 29, 2021): 764. http://dx.doi.org/10.3390/cryst11070764.

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The present review is intended for a broader audience interested in the resolution of the several decades-long controversy on the possible role of oxygen-vacancy defects in LiNbO3. Confronting ideas of a selected series of papers from classical experiments to brand new large-scale calculations, a unified interpretation of the defect generation and annealing mechanisms governing processes during thermo- and mechanochemical treatments and irradiations of various types is presented. The dominant role of as-grown and freshly generated Nb antisite defects as traps for small polarons and bipolarons is demonstrated, while mobile lithium vacancies, also acting as hole traps, are shown to provide flexible charge compensation needed for stability. The close relationship between LiNbO3 and the Li battery materials LiNb3O8 and Li3NbO4 is pointed out. The oxygen sublattice of the bulk plays a much more passive role, whereas oxygen loss and Li2O segregation take place in external or internal surface layers of a few nanometers.

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