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51.
Gang Liu Ya Wang Jianpeng Li Ying Liu Maryam Salehabadi 《Journal of Sulfur Chemistry》2021,42(1):40-50
Based on the experimental reports, Au-decoration on the ZnO nanostructures dramatically increases the electronic sensitivity to H2S gas. In the current study, we computationally scrutinized the mechanism of Au-decoration on a ZnO nanotube (ZON) and the influence on its sensing behavior toward H2S gas. The intrinsic ZON weakly interacted with the H2S gas with an adsorption energy of ?11.2 kcal/mol. The interaction showed no effect on the HOMO–LUMO gap and conductivity of ZON. The predicted response of intrinsic ZON toward H2S gas is 6.3, which increases to 78.1 by the Au-decoration at 298 K. The corresponding experimental values are about 5.0 and 80.0, indicating excellent agreement with our findings. We showed that the Au atom catalyzes the reaction 3O2?+?2H2S?→?2SO2?+?2H2O. Our calculated energy barrier (at 298 K) is about 12.3 kcal/mol for this reaction. The gap and electrical conductance Au-ZON largely changed by this reaction are attributed to the electron donation and back-donation processes. The obtained recovery time is about 1.35 ms for desorption of generated gases from the surface of the Au-ZON sensor. 相似文献
52.
Jiatong Zhu Xuanyu Meng Ping Zhang Zhuolun Li Jie Xu Michael J. Reece Feng Gao 《Journal of the European Ceramic Society》2021,41(4):2861-2869
A series of rare earth zirconates (RE2Zr2O7) high-entropy ceramics with single- and dual-phase structure were prepared. Compared with La2Zr2O7 and Yb2Zr2O7, the smaller “rattling” ions (Yb3+, Er3+, Y3+) have been incorporated into pyrochlore lattice in (La0.2Nd0.2Y0.2Er0.2Yb0.2)2Zr2O7 (LNYEY) while larger ions (La3+, Nd3+, Sm3+, Eu3+) incorporated into fluorite lattice in (La0.2Nd0.2Sm0.2Gd0.2Yb0.2)2Zr2O7 (LNSGY). Due to high-entropy lattice distortion and resonant scattering derived from smaller ions Yb3+, Er3+, and Y3+, LNYEY shows a lower glass-like thermal conductivity (1.62-1.59 W m-1 K-1, 100-600℃) than LNSGY (1.74-1.75 W m-1 K-1, 100-600℃). Moreover, LNYEY and LNSGY exhibit enhanced Vickers’ hardness (LNYEY, Hv = 11.47 ± 0.41 GPa; LNSGY, Hv = 10.96 ± 0.26 GPa) and thermal expansion coefficients (LNYEY, 10.45 × 10-6 K-1, 1000℃; LNSGY, 11.02 × 10-6 K-1, 1000℃). These results indicate that dual-phase rare-earth-zirconate high-entropy ceramics could be desirable for thermal barrier coatings. 相似文献
53.
54.
The mechanical properties of complex concentrated alloys (CCAs) depend on their formed phases and corresponding microstructures.The data-driven prediction of the phase formation and associated mechanical properties is essential to discovering novel CCAs.The present work collects 557 samples of various chemical compositions,comprising 61 amorphous,167 single-phase crystalline,and 329 multi-phases crystalline CCAs.Three classification models are developed with high accuracies to category and understand the formed phases of CCAs.Also,two regression models are constructed to predict the hard-ness and ultimate tensile strength of CCAs,and the correlation coefficient of the random forest regression model is greater than 0.9 for both of two targeted properties.Furthermore,the Shapley additive expla-nation (SHAP) values are calculated,and accordingly four most important features are identified.A significant finding in the SHAP values is that there exists a critical value in each of the top four fea-tures,which provides an easy and fast assessment in the design of improved mechanical properties of CCAs.The present work demonstrates the great potential of machine learning in the design of advanced CCAs. 相似文献
55.
Yuguang Chao Peng Zhou Jianping Lai Weiyu Zhang Huawei Yang Shiyu Lu Hui Chen Kun Yin Menggang Li Lu Tao Changshuai Shang Meiping Tong Shaojun Guo 《Advanced functional materials》2021,31(24):2100923
Designing a semiconductor-based heterostructure photocatalyst for achieving the efficient separation of photogenerated electron-hole pairs is highly important for enhancing H2 releasing photocatalysis. Here, a new class of Ni1−xCoxSe2–C/ZnIn2S4 hierarchical nanocages with abundant and compact ZnIn2S4 nanosheets/Ni1−xCoxSe2 C nanosheets 2D/2D hetero–interfaces, is designed and synthesized. The constructed heterostructure photocatalyst exposes rich hetero-junctions, supplying the broad and short transfer paths for charge carriers. The close contacts of these two kinds of nanosheets induce a strong interaction between ZnIn2S4 and Ni1−xCoxSe2 C, improving the separation and transfer of photo-generated electron-hole pairs. As a consequence, the distinctive Ni1−xCoxSe2 C/ZnIn2S4 hierarchical nanocages without using additional noble-metal cocatalysts, display remarkable H2-relaesing photocatalytic activity with a rate of 5.10 mmol g−1 h−1 under visible light irradiation, which is 6.2 and 30 times higher than those of fresh ZnIn2S4 nanosheets and bare Ni1−xCoxSe2 C nanocages, respectively. Spectroscopic characterizations and theory calculations reveal that the strong interaction between ZnIn2S4 and Ni1−xCoxSe2 C 2D/2D hetero-interfaces can powerfully promote the separation of photo-generated charge carriers and the electrons transfer from ZnIn2S4 to Ni1−xCoxSe2 C. 相似文献
56.
Zhuolong Tu Mi Chen Min Wang Zhenxuan Shao Xiaoqi Jiang Kangyan Wang Zhe Yao Shiwei Yang Xingxing Zhang Weiyang Gao Cai Lin Bo Lei Cong Mao 《Advanced functional materials》2021,31(30):2100924
Diabetic wound healing still faces great challenges due to the excessive inflammation, easy infection, and impaired angiogenesis in wound beds. The immunoregulation of macrophages polarization toward M2 phenotype that facilitates the transition from inflammation to proliferation phase has been proved to be an effective way to improve diabetic wound healing. Herein, an M2 phenotype-enabled anti-inflammatory, antioxidant, and antibacterial conductive hydrogel scaffolds (GDFE) for producing rapid angiogenesis and diabetic wound repair are reported. The GDFE scaffolds are fabricated facilely through the dynamic crosslinking between polypeptide and polydopamine and graphene oxide. The GDFE scaffolds possess thermosensitivity, self-healing behavior, injectability, broad-spectrum antibacterial activity, antioxidant and anti-inflammatory ability, and electronic conductivity. GDFE effectively activates the polarization of macrophages toward M2 phenotype and significantly promotes the proliferation of dermal fibroblasts, the migration, and in vitro angiogenesis of endothelial cells through paracrine mechanisms. The in vivo results from a full-thickness diabetic wound model demonstrate that GDFE can rapidly promote the diabetic wound repair and skin regeneration, through fast anti-inflammation and angiogenesis and M2 macrophage polarization. This study provides highly efficient strategy for treating diabetic wound repair through designing the M2 polarization-enabled anti-inflammatory, antioxidant, and antibacterial bioactive materials. 相似文献
57.
Sichen Gu Si-Wei Zhang Junwei Han Yaqian Deng Chong Luo Guangmin Zhou Yanbing He Guodan Wei Feiyu Kang Wei Lv Quan-Hong Yang 《Advanced functional materials》2021,31(28):2102128
Lithium metal anodes (LMAs) are promising for next-generation batteries but have poor compatibility with the widely used carbonate-based electrolytes, which is a major reason for their severe dendrite growth and low Coulombic efficiency (CE). A nitrate additive to the electrolyte is an effective solution, but its low solubility in carbonates is a problem that can be solved using a crown ether, as reported. A rubidium nitrate additive coordinated with 18-crown-6 crown ether stabilizes the LMA in a carbonate electrolyte. The coordination promotes the dissolution of NO3− ions and helps form a dense solid electrolyte interface that is Li3N-rich which guides uniform Li deposition. In addition, the Rb (18-crown-6)+ complexes are adsorbed on the dendrite tips, shielding them from Li deposition on the dendrite tips. A high CE of 97.1% is achieved with a capacity of 1 mAh cm−2 in a half cell, much higher than when using the additive-free electrolyte (92.2%). Such an additive is very compatible with a nickel-rich ternary cathode at a high voltage, and the assembled full battery with a cathode material loading up to 10 mg cm−2 shows an average CE of 99.8% over 200 cycles, indicating a potential for practical use. 相似文献
58.
The Fe/C/SiCN composite ceramics were synthesized by polymer-derived method to obtain the integration of structure and functions. The electromagnetic waves (EMW) absorption properties at X and Ku bands were investigated. The addition of nano-sized Fe particles improved the magnetic loss and impedance matching, and the carbon nanotubes generated by the iron in-situ catalysis increased the internal relaxation polarization and interfacial polarization, which together improved the EMW absorption properties significantly. In particular, the Fe/C/SiCN-9 showed the optimum reflection loss (RL) of ?31.06 dB at 10.03 GHz with an effective absorption bandwidth (EAB, RL < ?10 dB) of 3.03 GHz at 2.51 mm, indicating the excellent EMW absorption properties of Fe/C/SiCN composite ceramics. 相似文献
59.
Fangjun Zhu You Shi Guorong Hu Zhongdong Peng Yanbing Cao Qian Sun Zhichen Xue Yinjia Zhang Ke Du 《Ceramics International》2021,47(3):3070-3078
Titanium and boron are simultaneously introduced into LiNi0.8Co0.1Mn0.1O2 to improve the structural stability and electrochemical performance of the material. X-ray diffraction studies reveal that Ti4+ ion replaces Li+ ion and reduces the cation mixing; B3+ ion enters the tetrahedron of the transition metal layers and enlarges the distance of the [LiO6] layers. The co-doped sample has spherical secondary particles with elongated and enlarged primary particles, in which Ti and B elements distribute uniformly. Electrochemical studies reveal the co-doped sample has improved rate performance (183.1 mAh·g-1 at 1 C and 155.5 mAh·g-1 at 10 C) and cycle stability (capacity retention of 94.7% after 100 cycles at 1 C). EIS and CV disclose that Ti and B co-doping reduces charge transfer impedance and suppresses phase change of LiNi0.8Co0.1Mn0.1O2. 相似文献
60.
Wenxiao Zhang Ying Feng Yifan Niu Ting Liu Xiaoyu Zhai Jiaxiang Liu 《Ceramics International》2021,47(17):23834-23843
SiC is a promising functional ceramic material with many great properties. High concentrated SiC slurry with excellent rheology and stability is required in some processes of ceramic forming. In this work, the dispersion of SiC powders was obviously improved by ternary modifiers: γ-(2,3-epoxypropoxy) propytrimethoxysilane (KH560), sodium humate and sodium dodecyl sulfate (SDS). Modified SiC slurry showed the lowest viscosity of 0.168 Pa s at a solid content of 50 vol%. The maximum absolute value of zeta potential of SiC increased from 47.3 to 61.6 mV by modification. Sedimentation experiments showed that a highly stable suspension of modified SiC was obtained at pH 10. SiC green body with high density of 2.643 g/cm3 was prepared with modified powders by slip casting. X-ray photoelectron spectra (XPS) and thermogravimetry (TG) measurements indicated the adsorption of modifiers on SiC surface. Therefore, modified SiC powders could stably disperse in aqueous media due to the increase of electrosteric repulsion between particles. The novel strategy used in this study could further improve the dispersion of SiC powders. 相似文献