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71.
Santanu Mondal Andriy Durygin Vadym Drozd Jose Belisario Zhe Cheng 《Journal of the American Ceramic Society》2020,103(9):4876-4893
In this research, near fully dense single phase bulk multicomponent transition metal nitride (Nb1/3Ta1/3Ti1/3)N1−δ has been successfully synthesized from mixed commercial powders of NbN, TaN and TiN via reaction flash sintering technique. This was performed with an applied pressure of ~ 35 MPa at 25°C under a constant DC electric field (~24-32 V/cm). The flash event, which is the abrupt increase in current (up to ~ 25.2 A/mm2) and temperature, occurred without preheating. The threshold power dissipation on the sample right before the flash is ~ 0.7 W/mm3. The formation of single phase (Nb1/3Ta1/3Ti1/3)N1−δ random solid solution and its compositional uniformity were confirmed by XRD and EDS, respectively. The effects of ball milling duration and limiting current density on phase formation were studied. Simulation based on Joule heating provides an estimate of the ultimate sample temperature of ~ 1850°C. Vickers hardness of the obtained (Nb1/3Ta1/3Ti1/3)N1−δ is 17.6 ± 0.6 GPa, which is comparable to similarly flash sintered ingredient binary nitrides of TaN and NbN. TGA in air shows that the oxidation resistance of (Nb1/3Ta1/3Ti1/3)N1−δ is better than that of TaN and NbN but inferior to TiN. The study demonstrates that reaction flash sintering can be a highly efficient technique for synthesizing bulk multicomponent ceramics for both material fundamental investigations and application development. 相似文献
72.
Gabriela Ben-Melech Stan Kapil Dhaka Maytal Caspary Toroker 《Israel journal of chemistry》2020,60(8-9):888-896
Two-dimensional transistors are promising candidates for the next generation of nanoscale devices. Like the other alternatives, they also encounter problems such as instability under standard condition (STP), low channel mobility, small band gaps, and difficulty to integrate metal contacts. The latter poses a great challenge since metal/semiconductor interface significantly affects the transistor‘s performance. Some of these obstacles can be solved by using two-dimensional transition metal di-chalcogenides (TMDC) materials. In this study, we performed charge transport calculation based on density functional theory (DFT) followed by wave dynamics to evaluate the performance of six two-dimensional TMDC metal/semiconductor/metal systems. Each semiconductor monolayer was laterally connected, at both ends to metal contacts consisting of VS2 or FeS2 monolayers. We found that charge transport was more efficient in systems containing a CrS2 semiconductor monolayer compared to systems with MoS2 or WS2 as the semiconductor monolayer. The electronic characterization of the monolayer TMDC materials by DFT estimates well the trend in charge transport efficiency calculated using wave packet dynamics. 相似文献
73.
Jing Zhao Chunliang Zhou Yiju Li Kui Cheng Kai Zhu Ke Ye Jun Yan Dianxue Cao Ying Xie Guiling Wang 《国际能源研究杂志》2020,44(5):3883-3892
Sodium-ion hybrid capacitors are a prospective energy storage device candidate that couples the superiorities of battery-type and capacitive storage mechanisms. In this study, we fabricate a composite of NiCo2O4 nanowires with carbon tubular bundles (CTBs) via a facile hydrothermal and annealing procedure. The density functional theory (DFT) calculations are performed to evaluate the bonding strength between the two components of the composite, the binding energy of the NiCo2O4 is calculated to be −0.952 J m−2, indicating that the NiCo2O4 nanowires can be stabilized on both sides of the carbon tubular bundles, which leads to a good cycling performance. Moreover, the composite in this work exhibits a metallic property because of the introduction of carbon material. As expected, when used for sodium storage, the NiCo2O4/CTBs shows a high capacity of 298 mA h g−1 at 1 A g−1 and high capacity retention of 92% after 500 cycles, which are superior than the bare NiCo2O4 electrode. Consequently, the sodium-ion hybrid capacitor is also assembled with NiCo2O4/carbon tubular bundles and commercial activated carbon, which achieves high energy density of 99 Wh kg−1 in a wide potential range from 0.5 V to 4.0 V. 相似文献
74.
75.
《International Journal of Hydrogen Energy》2019,44(21):11079-11087
The sluggish activity of cathode at intermediate-temperature limits commercialization of proton-conducting solid oxide fuel cells (H-SOFCs). In this investigation, a novel cathode of Ba0.95Ca0.05Fe0.85Sn0.05Y0.1O2.9−δF0.1 was successfully developed by co-doping of anion F and cations Ca, Sn, Y. We studied the effect of F−-doping on phase structure, electrical conductivity and electrochemical properties of the cell. Compared with Ba0.95Ca0.05Fe0.85Sn0.05Y0.1O3−δ, F−-doped Ba0.95Ca0.05Fe0.85Sn0.05Y0.1O3−δ exhibited higher conductivity. Composite cathode consisting of Ba0.95Ca0.05Fe0.85Sn0.05Y0.1O2.9−δF0.1 and Sm0.2Ce0.8O2−δ was applied in H-SOFCs with BaZr0.1Ce0.7Y0.2O3−δ electrolyte which achieves an encouraging performance with the maximum power density of 1050 mW cm−2 and polarization resistance of 0.04 Ω cm2 at 700 °C. The result of First-principles calculations based on spin-polarized Density Functional Theory shows that doping of F− reduces the activation energy required for migration of oxygen ions. These results demonstrate that the anions and cations co-doped strategy can provide a new horizon for the cathode in H-SOFCs. 相似文献
76.
《International Journal of Hydrogen Energy》2019,44(50):27421-27428
Electrochemical water splitting to hydrogen is considered as a promising approach for clean H2 production. However, developing highly active and inexpensive electrocatalysts is an important part of the hydrogen evolution reaction (HER). Herein, we present a multifaceted atom (sp2-and sp-hybridized boron) doping strategy to directly fine-modify the electronic structures of the active site and the HER performance by the density functional theory calculations. It is found that the binding strength between the Co atom and the B doped graphyne nanosheets can be enhanced by doping B atoms. Meanwhile, the Co@B1-GY and Co@B2-GY catalysts exhibit good thermodynamic stability and high HER catalytic activity. Interestingly, the Co@B2-GY catalyst has an ideal HER performance with the ΔGH* value of −0.004 eV. Moreover, the d-band center of the Co atoms is upshifted by the sp2-or sp-hybridized B dopants. The concentrations of the sp-hybridized B atoms have a positive effect on the electrons transformation of the Co atoms. The interaction between the H and Co atoms becomes strong with the increase of the concentrations of the sp-hybridized B atoms and thus the corresponding catalysts show sluggish HER kinetics. This investigation could provide useful guidance for the experimental groups to directly and continuously control the catalytic activity towards HER by precisely doping multifaceted atoms. 相似文献
77.
Donatella Restuccia Gianluca Giorgi Umile Gianfranco Spizzirri Fabio Sciubba Giorgio Capuani Vittoria Rago Gabriele Carullo Francesca Aiello 《International Journal of Food Science & Technology》2019,54(4):1313-1320
Seeds and skins from grape pomaces of Pecorello and Mantonico cv underwent extraction (ultrasound–assisted or maceration), in order to obtain added-value ingredients for the production of a functional pear jam. The antioxidant features of the extracts were tested by in vitro colorimetric assays. Among seeds, Mantonico by maceration (MSC) showed the best results, as well as Mantonico by ultrasound-assisted extraction (MBs) among skin extracts. The selected extracts were fully characterised by NMR and MS techniques, confirming the presence of many polyphenols, flavonoids and tannins among others. Pectin was then derivatised by the grafting procedure with the active molecules of MBs and MSC. The latter produced the best antioxidant polymer also without toxicity evaluated using Caco-2 cells and was used for the jam preparation. The functional pear jam showed improved antioxidant performances in comparison with its non-functional counterparts as well as its maintenance over time (15 days). 相似文献
78.
Ana Clara Sabbione Santiago Suárez María Cristina Añón Adriana Scilingo 《International Journal of Food Science & Technology》2019,54(5):1506-1513
In this study, amaranth flour was used as an ingredient to prepare gluten-free cookies. The production process and attributes of amaranth cookies were characterised, and the potential use of amaranth flour as a functional ingredient was analysed. Cookies exhibited a non-uniform reddish brown colour and a cookie factor ratio of 4.5 ± 0.6. Storage studies indicated that after 3 weeks at room temperature cookies presented slight variations in the texture. Simulated gastrointestinal digestion of this product was able to release peptides capable of exerting potential antithrombotic and antihypertensive activities, IC50 values of 0.22 ± 0.04 and 0.23 ± 0.03 mg mL−1 protein, respectively. This work demonstrates for the first time that food made with amaranth flour exerts potential antithrombotic and antihypertensive activity. In conclusion, these amaranth cookies could be an alternative way of incorporating potentially health beneficial products for people who choose a conscious diet, including coeliac or vegan consumers. 相似文献
79.
Kai Cheng Chunchun Li Changzhi Yin Ying Tang Yihua Sun Liang Fang 《Journal of the European Ceramic Society》2019,39(13):3738-3743
The effects of Sr2+ substitution for Ba2+ on microwave dielectric properties and crystal structure of Ba3-xSrx(VO4)2 (0 ≤ x ≤ 3, BSVO) solid solution were investigated. Such Sr2+ substitution contributes to significant reduction in sintering temperature from 1400 °C to 1150 °C. Both permittivity (∑r) and quality factor (Q × f) values decreased with increasing x value, which was determined to be related with the descending values of average polarizability and packing fraction, whereas the increase in τf value was explained by the decreased average VO bond length, A-site bond valence. BSVO ceramics possessed encouraging dielectric performances with ∑r = 12.2–15.6 ± 0.1, Q × f = 44,340 - 62,000 ± 800 GHz, and τf = 24.5–64.5 ± 0.2 ppm/°C. Low-temperature sintering was manipulated by adding B2O3 as sintering additive for the representative Sr3V2O8 (SVO) ceramic and only 1 wt.% B2O3 addition successfully contributed to a 21.7% decrease in sintering temperature to 900 °C, showing good chemical compatibility with silver electrodes, which render BSVO series and SVO ceramics potential candidates in multilayer electronic devices fabrication. 相似文献
80.