Structural studies of TiC1−xOx solid solution by Rietveld refinement and first-principles calculations

Jiang, Bo; Hou, Na; Huang, Shan-Yan; Zhou, Guangpeng; Hou, Jungang; Cao, Zhanmin; Zhu, Hongmin

doi:10.1016/j.jssc.2013.05.009

Cited by 66 publications

(41 citation statements)

References 26 publications

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“…It is also worth noticing that the same methodology was also adopted to study the extent of the TiCxO(1-x) solid solution at 1500°C and the results at this temperature were similar to those obtained at 1600°C. The discrepancies existing between our results and the cell parameter values reported from the work of Jiang et al [14] could be explained by the fact these authors did not use an internal standard to correct samples positioning errors or that their targeted compositions, which highly depend on the synthesis conditions, were not controlled by elemental analysis.…”

Section: Powder Samples: Establishing a Model Linking Parameter Cell contrasting

confidence: 98%

“…This observation means that the first sublattice in the f.c.c structure The same global process was finally implemented on a hafnium oxycarbide sample (Table 4 The measured values by Neumann et al [17], Nishimura et al [13] and Jiang and al. [14] have been added in order compare them. …”

Section: Bulk Samples: Towards Reliable Analysis Of Light Elementsmentioning

confidence: 99%

“…Indeed, the stability domain of the TiCxOy solid solution has already been investigated in the literature and it has been shown that the solid solution was complete between TiC and TiO, [13,14] giving rise to a wide compositional range of TiCxOy compounds. This chemical system was also retained because some of the authors of this publication share a long standing experience in synthesis and characterisation of these compounds [3,15,16].…”

Section: Introductionmentioning

confidence: 99%

“…In this part, a special attention has been paid to accurately determine the cell parameters by minimizing systematic errors related to X-ray powder diffraction measurements. In the past, several models linking the oxycarbide cell parameter with its chemical composition had already been proposed in the literature [13,14,17]. However, none of these works used an internal standard to correct for sample positioning errors, which results in large uncertainties in the measurement of the cell parameters.…”

Section: Introductionmentioning

confidence: 99%

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Novel insight into the chemical analysis of light elements in oxycarbides

et al. 2018

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Pure powders of TiCxO(1-x) solid solution were synthesized through the carbothermal route. The chemical analysis of the light elements in the as-obtained TiCxO(1-x) oxycarbides powders were performed by Instrumented Gas Analysis (IGA). The cell parameters of the samples were determined with an accuracy of about 2% by means of X-ray powder diffraction and the internal standard method. As a result, a model correlating the cell parameters to the chemical composition was established. These reference TiCxO(1-x) oxycarbides powders were then sintered in order to obtain pellets of dense ceramics. After having determined that the sintering process does not change the chemical composition of the starting powder, chemical analysis of the different samples of the solid solution were successfully undertaken by Ion Beam Analysis techniques (IBA). The Nuclear Reaction Analysis (NRA) method -that was used to analyse light elements with very high sensitivity -was coupled with Rutherford Back Scattering (RBS) analysis in order to accurately determine the metallic over light elements ratio and to determine the stoichiometry of the phase on massive samples. Exhaustive simulations of the NRA spectra were performed and demonstrated that discrete compositions of the TiCxO(1-x) can be efficiently measured locally for bulk samples. Compared to IGA results, the relative amounts of carbon and oxygen of bulk materials were determined with a bias lower than 5%. This protocol being implemented for the TiCxO(1-x) system was then tested on HfCxO(1-x)with the same success.3

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Section: Powder Samples: Establishing a Model Linking Parameter Cell contrasting

confidence: 98%

Section: Bulk Samples: Towards Reliable Analysis Of Light Elementsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Novel insight into the chemical analysis of light elements in oxycarbides

et al. 2018

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“…Figure S4, and the peak position for each diffraction of the plane shifts slightly toward lower angles upon increasing the carbon content, which is consistent with previous work. 54 To verify the microstructure of the fractographs of the TiC 1-x O x @TiO y -TiO 2 bulks after SPS treatment, SEM images of the TiC 1-x O x @TiO y -5wt.%TiO 2 bulks with 8-V anodization are displayed in Supplementary Figure S7. The images of all the bulks clearly show that the porosity increases with increasing carbon content, which is consistent with the image in Supplementary Figure S8.…”

Section: Resultsmentioning

confidence: 99%

High thermoelectric performance of all-oxide heterostructures with carrier double-barrier filtering effect

Hou

Wei

et al. 2015

NPG Asia Mater

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Thermoelectric materials can realize significant energy savings by generating electricity from untapped waste heat; however, the coupling of the thermoelectric parameters unfortunately limits their efficiency and practical applications. Herein, rational all-oxide TiC 1-x O x @TiO y -TiO 2 (xo1, 1oyo2) heterostructures with significantly enhanced thermoelectric properties have been designed, and a high dimensionless figure of merit (ZT) value of up to 0.84 at 973 K was achieved in the all-oxide TiC 0.1 O 0.9 @TiO y -TiO 2 heterostructures, which is one of the highest values in n-type oxide bulk thermoelectric materials to date. The TiC 1-x O x @TiO y heterostructures, which include a thin film of approximately 5-10 nm on the surface of TiC 1-x O x compounds prepared by a facile anodization process, exhibit an obvious improvement of the thermoelectric power factor. Furthermore, an excellent dimensionless figure of merit value was obtained in the TiC 1-x O x @TiO y -TiO 2 heterostructures prepared by the anodization process assisted by the sol-gel chemical route, which can be attributed to the decrease in the carrier concentration via the carrier double-barrier filtering effect. This work develops a facile strategy for synthesizing core-shell heterostructures and demonstrates their superior ability to optimize thermoelectric energy harvesting.

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Molten Salt Electrochemical Synthesis of Ternary Carbide Ti₃AlC₂ from Titanium‐Rich Slag

Pang

Zou

et al. 2020

Adv Eng Mater

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Ti3AlC2 is electrochemically synthesized from titanium‐rich slag/Al2O3/C mixtures in molten salts. The intermediate products are systematically analyzed to investigate the formation process of Ti3AlC2. The results show that the synthesis process typically involves an electrodeoxidation process and in situ carburization/combination process. In addition, most of the undesired metallic oxides contained in the titanium‐rich slag are removed effectively during the electrolysis process, and the removal mechanism of these undesired metallic oxides is further discussed. The influences of different molten salts (including molten CaCl2 and CaCl2–NaCl) and temperatures (range of 800–1000 °C) on the final products are also studied. The results show that these electrosynthesis conditions influence the morphology and phase composition of the products. The synthesized Ti3AlC2 particles possess an irregular plate‐like morphology. It is suggested that the molten salt electrochemical synthesis technology is a promising process to produce Ti3AlC2 and/or other MAX phases from multicomponent complex ores.

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Structural studies of TiC1−xOx solid solution by Rietveld refinement and first-principles calculations

Cited by 66 publications

References 26 publications

Novel insight into the chemical analysis of light elements in oxycarbides

Novel insight into the chemical analysis of light elements in oxycarbides

High thermoelectric performance of all-oxide heterostructures with carrier double-barrier filtering effect

Molten Salt Electrochemical Synthesis of Ternary Carbide Ti₃AlC₂ from Titanium‐Rich Slag

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Structural studies of TiC1−xOx solid solution by Rietveld refinement and first-principles calculations

Cited by 66 publications

References 26 publications

Novel insight into the chemical analysis of light elements in oxycarbides

Novel insight into the chemical analysis of light elements in oxycarbides

High thermoelectric performance of all-oxide heterostructures with carrier double-barrier filtering effect

Molten Salt Electrochemical Synthesis of Ternary Carbide Ti3AlC2 from Titanium‐Rich Slag

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Molten Salt Electrochemical Synthesis of Ternary Carbide Ti₃AlC₂ from Titanium‐Rich Slag