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学者姓名：庄春强
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摘要 ：
The structural stability of high-entropy alloys (HEAs) is closely related to their mechanical properties. The precise control of the component content is a key step toward understanding their structural stability and further determining their mechanical properties. In this study, first-principle calculations were performed to investigate the effects of different contents of each component on the structural stability and mechanical properties of Co-Cr-Fe-Ni HEAs based on the supercell model. Co-Cr-Fe-Ni HEAs were constructed based on a single face-centered cubic (FCC) solid solution. Elemental components have a clear effect on their structure and performance; the Cr and Fe elements have an obvious effect on the structural stability and equilibrium lattice constant, respectively. The Ni elements have an obvious effect on stiffness. The Pugh ratios indicate that Cr and Ni addition may increase ductility, whereas Co and Fe addition may decrease it. With increasing Co and Fe contents or decreasing Cr and Ni contents, the structural stability and stiffness of Co-Cr-Fe-Ni HEAs are improved. The structural stability and mechanical properties may be related to the strength of the metallic bonding and covalent bonding inside Co-Cr-Fe-Ni HEAs, which, in turn, is determined by the change in element content. Our results provide the underlying insights needed to guide the optimization of Co-Cr-Fe-Ni HEAs with excellent mechanical properties.
关键词 ：
CoCrFeNi CoCrFeNi first principles first principles high-entropy alloys high-entropy alloys mechanical properties mechanical properties structural stability structural stability
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| GB/T 7714 | Liu, Haibo , Xin, Cunlin , Liu, Lei et al. Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys [J]. | APPLIED SCIENCES-BASEL , 2021 , 11 (6) . |
| MLA | Liu, Haibo et al. "Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys" . | APPLIED SCIENCES-BASEL 11 . 6 (2021) . |
| APA | Liu, Haibo , Xin, Cunlin , Liu, Lei , Zhuang, Chunqiang . Effects of Different Contents of Each Component on the Structural Stability and Mechanical Properties of Co-Cr-Fe-Ni High-Entropy Alloys . | APPLIED SCIENCES-BASEL , 2021 , 11 (6) . |
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摘要 ：
Recently, there are significant progresses in the growth of organic-inorganic lead halide perovskite single crystals, however, due to their susceptible nucleation and growth mechanisms and solvent requirements, the efficient and generalized growth for these single crystals is still challenging. Here we report the work towards this target with a polymer-controlled nucleation process for the highly efficient growth of large-size high-quality simple ternary, mixed-cations and mixed-halide perovskite single crystals. Among them, the carrier lifetime of FAPbBr3 single crystals is largely improved to 10199 ns. Mixed MA/FAPbBr3 single crystals are synthesized. The crucial point in this process is suggested to be an appropriate coordinative interaction between polymer oxygen groups and Pb2+, greatly decreasing the nuclei concentrations by as much as 4 orders of magnitudes. This polymer-controlled route would help optimizing the solution-based OIHPs crystal growth and promoting applications of perovskite single crystals.
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| GB/T 7714 | Ma Lin , Yan Zhengguang , Zhou Xiaoyuan et al. A polymer controlled nucleation route towards the generalized growth of organic-inorganic perovskite single crystals. [J]. | Nature communications , 2021 , 12 (1) : 2023 . |
| MLA | Ma Lin et al. "A polymer controlled nucleation route towards the generalized growth of organic-inorganic perovskite single crystals." . | Nature communications 12 . 1 (2021) : 2023 . |
| APA | Ma Lin , Yan Zhengguang , Zhou Xiaoyuan , Pi Yiqun , Du Yiping , Huang Jie et al. A polymer controlled nucleation route towards the generalized growth of organic-inorganic perovskite single crystals. . | Nature communications , 2021 , 12 (1) , 2023 . |
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摘要 ：
The common strategy for the design of photocatalytic materials is to load small-sized cocatalysts onto large-sized photocatalysts for efficient charge separation. In this study, a new design strategy is presented to anchor smallsized TiO2 photocatalysts onto large-sized Ti3C2-Mxene cocatalysts, which can provide enriched active sites to receive photo-generated electrons, thus achieving fast charge separation. Based on this strategy, the 4h-hydrogen production rate of the optimized photocatalytic system (62.5 mu mol) is 15.2 times higher than that of pure TiO2 (4.1 mu mol), strongly demonstrating the feasibility of our design strategy. The strategy here presents an effective way to design novel photocatalytic systems with superior photocatalytic properties.
关键词 ：
Design strategy Design strategy Large-sized cocatalyst Large-sized cocatalyst Photocatalytic water splitting Photocatalytic water splitting Ultra-small photocatalyst Ultra-small photocatalyst
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| GB/T 7714 | Li, Weiming , Zhuang, Chunqiang , Li, Yuanli et al. Anchoring ultra-small TiO2 & nbsp;quantum dots onto ultra-thin and large-sized Mxene nanosheets for highly efficient photocatalytic water splitting [J]. | CERAMICS INTERNATIONAL , 2021 , 47 (15) : 21769-21776 . |
| MLA | Li, Weiming et al. "Anchoring ultra-small TiO2 & nbsp;quantum dots onto ultra-thin and large-sized Mxene nanosheets for highly efficient photocatalytic water splitting" . | CERAMICS INTERNATIONAL 47 . 15 (2021) : 21769-21776 . |
| APA | Li, Weiming , Zhuang, Chunqiang , Li, Yuanli , Gao, Chunlang , Jiang, Wenshuai , Sun, Zaicheng et al. Anchoring ultra-small TiO2 & nbsp;quantum dots onto ultra-thin and large-sized Mxene nanosheets for highly efficient photocatalytic water splitting . | CERAMICS INTERNATIONAL , 2021 , 47 (15) , 21769-21776 . |
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摘要 ：
A key challenge in photocatalysts is their rapid recombination of photo-generated elec-tron-hole pairs. To decrease the recombination probability, significant studies have been devoted to increasing potential active sites of photocatalytic systems for fast charge separation. Here we demonstrate a strategy to boost active sites that is different from conventional approaches, in which large-sized Mxene nanosheets were employed as co-catalysts, while small-sized CdS nanosheets were used as photocatalysts forming effec-tive nanocomposites. Based on our designed strategy, the enrichment of transfer routes guides the fast separation of electrons from CdS nanosheets and transferred onto large-sized Mxene nanosheets. The visible-light-driven hydrogen production of our innova-tively designed composites has been improved from 2.8 mmol/g of pure CdS nanosheets to 17.5 mmol/g of the CdS@Mxene optimized composite. The obvious improvement of hydrogen production verifies the feasibility of our design strategy as a unique way to our tactic here can be extended to the design of other kinds of photocatalytic systems.
关键词 ：
Booming active sites Booming active sites Fast charge separation Fast charge separation Improved hydrogen evolution Improved hydrogen evolution Large-sized cocatalyst Large-sized cocatalyst Small-sized photocatalyst Small-sized photocatalyst
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| GB/T 7714 | Zhang, Hang , Li, Yuanli , Li, Weiming et al. Designing large-sized cocatalysts for fast charge separation towards highly efficient visible-light-driven hydrogen evolution [J]. | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , 2021 , 46 (56) : 28545-28553 . |
| MLA | Zhang, Hang et al. "Designing large-sized cocatalysts for fast charge separation towards highly efficient visible-light-driven hydrogen evolution" . | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 46 . 56 (2021) : 28545-28553 . |
| APA | Zhang, Hang , Li, Yuanli , Li, Weiming , Zhuang, Chunqiang , Gao, Chunlang , Jiang, Wenshuai et al. Designing large-sized cocatalysts for fast charge separation towards highly efficient visible-light-driven hydrogen evolution . | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY , 2021 , 46 (56) , 28545-28553 . |
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摘要 ：
In this study, we employed in situ liquid cell transmission electron microscopy (LC-TEM) to carry out a new design strategy of precisely regulating the microstructure of large-sized cocatalysts for highly efficient energy harvesting. This unique strategy was conducted by dynamically in situ monitoring the entire process of the galvanic replacement reaction between Cu nanowires and Au ion solutions to reveal the detailed microstructural evolution at the nanometer scale, which has never been achieved by conventional chemical methods. Based on the strategy, four kinds of cocatalysts were designed and fabricated, which have typical structural characteristics that correspond to different reaction stages. By coupling them with ultrafine photocatalysts to construct photocatalytic systems, the photocatalytic hydrogen production of the optimized system is 65 times higher than that of the counterpart photocatalysts, strongly demonstrating the feasibility of the design via in situ liquid cell TEM. The strategy here provides an innovative way to design new kinds of catalytic systems.
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| GB/T 7714 | Gao, Chunlang , Zhuang, Chunqiang , Li, Yuanli et al. In situ liquid cell transmission electron microscopy guiding the design of large-sized cocatalysts coupled with ultra-small photocatalysts for highly efficient energy harvesting [J]. | JOURNAL OF MATERIALS CHEMISTRY A , 2021 , 9 (22) : 13056-13064 . |
| MLA | Gao, Chunlang et al. "In situ liquid cell transmission electron microscopy guiding the design of large-sized cocatalysts coupled with ultra-small photocatalysts for highly efficient energy harvesting" . | JOURNAL OF MATERIALS CHEMISTRY A 9 . 22 (2021) : 13056-13064 . |
| APA | Gao, Chunlang , Zhuang, Chunqiang , Li, Yuanli , Qi, Heyang , Chen, Ge , Sun, Zaicheng et al. In situ liquid cell transmission electron microscopy guiding the design of large-sized cocatalysts coupled with ultra-small photocatalysts for highly efficient energy harvesting . | JOURNAL OF MATERIALS CHEMISTRY A , 2021 , 9 (22) , 13056-13064 . |
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摘要 ：
Photocatalytic hydrogen production from water splitting has received considerable attention in recent years. The bottle-neck issue for hydrogen production efficiency is the relative slow charge separation and efficient hydrogen evolution. Currently, the major strategy for developing catalysts is to anchor small noble-metal cocatalysts onto relatively large photocatalysts. In this study, extremely small photocatalysts of TiO2 quantum dots were loaded onto the low-cost micro-sized cocatalysts of porous NiO/NiS2 nanosheets, promoting the rapid charge separation of photogenerated electrons from small-sized photocatalysts to large-sized cocatalysts. The size of cocatalysts is three orders of magnitude larger than that of photocatalysts. The hydrogen production of designed catalysts is similar to 16 times higher than that of pure TiO2 photocatalysts, clearly demonstrating the critical role of large-sized porous cocatalysts. Our game-changing strategy provides a distinctive approach to design new kinds of photocatalysts with rapid charge separation and highly efficient hydrogen evolution.
关键词 ：
Cocatalyst Cocatalyst Fast charge separation Fast charge separation Micro-sized porous nanosheet Micro-sized porous nanosheet Photocatalyst Photocatalyst Quantum dot Quantum dot
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| GB/T 7714 | Li, Yuanli , Gao, Chunlang , Jiang, Wenshuai et al. A game-changing design of low-cost, large-size porous cocatalysts decorated by ultra-small photocatalysts for highly efficient hydrogen evolution [J]. | APPLIED CATALYSIS B-ENVIRONMENTAL , 2021 , 286 . |
| MLA | Li, Yuanli et al. "A game-changing design of low-cost, large-size porous cocatalysts decorated by ultra-small photocatalysts for highly efficient hydrogen evolution" . | APPLIED CATALYSIS B-ENVIRONMENTAL 286 (2021) . |
| APA | Li, Yuanli , Gao, Chunlang , Jiang, Wenshuai , Zhuang, Chunqiang , Tan, Wuyuan , Li, Weiming et al. A game-changing design of low-cost, large-size porous cocatalysts decorated by ultra-small photocatalysts for highly efficient hydrogen evolution . | APPLIED CATALYSIS B-ENVIRONMENTAL , 2021 , 286 . |
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摘要 ：
CO2 transports in the Earth's interior play a crucial role in understanding the deep carbon cycle and the global climate changes. Currently, CO2 transports inside of the Earth under extreme condition of pressure and temperature have not been understood well. In this study, the molecular dynamics (MD) calculations were performed to study CO2 transports under different CO2 pressures in slit-like magnesite pores with different pore sizes at 350 similar to 2500 K and 3 similar to 50 GPa are presented. Diffusion of CO2 in magnesite was improved as the temperature increases but showed the different features as a function of pressure. The diffusion coefficients of CO2 in magnesite were found in the range of 9x10(-12) m(2) s(-1) similar to 28000x10(-12) m(2) s(-1). Magnesite with the pore size of 20 similar to 25 angstrom corresponds to the highest transports. Anisotropic diffusion of CO2 in magnesite may help to understand the inhomogeneous distribution of carbon in the upper mantle. The time of CO2 diffusion from the mantle to Earth surface was estimated to be around several tens of Ma and has an important effect on deep carbon cycle. The simulation of CO2 transports based on the Earth condition provides new insights to revealing the deep carbon cycle in the Earth's interiors.
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| GB/T 7714 | Liu, Lei , Yang, Longxing , Zhuang, Chunqiang et al. Diffusion of CO2 in Magnesite under High Pressure and High Temperature from Molecular Dynamics Simulations [J]. | GEOFLUIDS , 2021 , 2021 . |
| MLA | Liu, Lei et al. "Diffusion of CO2 in Magnesite under High Pressure and High Temperature from Molecular Dynamics Simulations" . | GEOFLUIDS 2021 (2021) . |
| APA | Liu, Lei , Yang, Longxing , Zhuang, Chunqiang , Yang, Guangshu , Yi, Li , Liu, Hong et al. Diffusion of CO2 in Magnesite under High Pressure and High Temperature from Molecular Dynamics Simulations . | GEOFLUIDS , 2021 , 2021 . |
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摘要 ：
Noble-metal-free photocatalysts have attracted tremendous interest in recent years. Among them, cadmium sulfide (CdS) has been considered as one of the most important photocatalysts with potential applications in hydrogen evolution. However, its efficiency is relatively low due to the fast recombination of photogenerated charge carriers. In this work, defective CdS nanospheres were designed. NiS quantum dots were introduced to facilitate the efficient separation of photogenerated electrons and holes. Without noble metals, the hydrogen production of CdS nanospheres with NiS quantum dots is similar to 24 times higher than that of pure CdS nanospheres, demonstrating the key role of NiS quantum dots for highly efficient separation of the photogenerated carriers. Meanwhile, the designed photocatalysts have good stability. They can maintain similar to 90% of photocatalytic activity during stability measurements. A potential photocatalytic mechanism was proposed.
关键词 ：
CdS photocatalysts CdS photocatalysts defect defect hydrogen production hydrogen production NiS quantum dots NiS quantum dots stability stability
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| GB/T 7714 | Tan, Wuyuan , Li, Yuanli , Jiang, Wenshuai et al. CdS Nanospheres Decorated with NiS Quantum Dots as Nobel-Metal-Free Photocatalysts for Efficient Hydrogen Evolution [J]. | ACS APPLIED ENERGY MATERIALS , 2020 , 3 (8) : 8048-8054 . |
| MLA | Tan, Wuyuan et al. "CdS Nanospheres Decorated with NiS Quantum Dots as Nobel-Metal-Free Photocatalysts for Efficient Hydrogen Evolution" . | ACS APPLIED ENERGY MATERIALS 3 . 8 (2020) : 8048-8054 . |
| APA | Tan, Wuyuan , Li, Yuanli , Jiang, Wenshuai , Gao, Chunlang , Zhuang, Chunqiang . CdS Nanospheres Decorated with NiS Quantum Dots as Nobel-Metal-Free Photocatalysts for Efficient Hydrogen Evolution . | ACS APPLIED ENERGY MATERIALS , 2020 , 3 (8) , 8048-8054 . |
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摘要 ：
Being one of the potentially important hydrous phases of the lower mantle, it is important to study the properties of phase H to understand the structure and composition of the mantle. The crystal structure, elastic modulus, and seismic wave velocity of phase H under different Fe concentrations (0, 12.5, 25, 100 at%) at 16-60 GPa were calculated by the first-principles simulation. The density of phase H linearly increases with increasing Fe concentration. The iron concentrations of 35.5-84.3 at% lead to densities matching the mantle density profile at different depths of the Earth. The effects of Fe on different elastic constants show varying tendencies. The K value increases with the Fe concentration, while the G value decreases. The values for Vp and Vs increase almost linearly with the rise in pressure. The Vp and Vs values decrease with increasing Fe content. The wave velocities of the pure-Mg phase H and Fe-bearing phase H are close to the typical velocity of the Earth at 500-1400 km depth. The FeOOH-AlOOH-MgSiH2O4-FeSiH2O4 system may be responsible for the observed seismic properties of LLSVP in the Earth's lower mantle. The quantitative effect of Fe on the density, elastic moduli (K and G), and wave velocities (Vp and Vs) are listed as fitted equations. These results help to infer the Fe concentration and structure of the deep Earth.
关键词 ：
Fe Fe First-principles simulation First-principles simulation High pressure High pressure Phase H Phase H superhydrous phase superhydrous phase
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| GB/T 7714 | Liu, Lei , Yang, Longxing , Yang, Guangshu et al. The effect of Fe on crystal structure and elasticity superhydous Phase H under high pressure by First-principles calculations [J]. | ANNALS OF GEOPHYSICS , 2020 , 63 (6) . |
| MLA | Liu, Lei et al. "The effect of Fe on crystal structure and elasticity superhydous Phase H under high pressure by First-principles calculations" . | ANNALS OF GEOPHYSICS 63 . 6 (2020) . |
| APA | Liu, Lei , Yang, Longxing , Yang, Guangshu , Yi, Li , Liu, Hong , Gu, Xiaoyu et al. The effect of Fe on crystal structure and elasticity superhydous Phase H under high pressure by First-principles calculations . | ANNALS OF GEOPHYSICS , 2020 , 63 (6) . |
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摘要 ：
We report the cation distribution in CoFe2O4 (CFO) nanofibers (NFs) fabricated by electro-spinning technique for different annealing temperatures in the range of 700-850 degrees C. Both X-ray photoelectron spectroscopy (XPS) and Raman spectra of CFO NFs have confirmed that the Co2+ and Fe3+ ions are distributed both in octahedral and tetrahedral sites, forming a mixed spinel ferrite. The analysis of XPS spectra reveals that the Co2+ ions have a tendency to occupy the tetrahedral sites with increasing the annealing temperature, whereas the Fe3+ ions are preferred to migrate to the octahedral sites with a high possibility. Besides, the redistribution of Co2+ ions towards the normal spinel is confirmed by comparing the relative peak areal intensity ratio of A(1g)(2) and T-2g(2) modes associated with the vibrational modes of tetrahedral and octahedral. The effects of the cationic redistribution of the magnetic properties were also discussed.
关键词 ：
Annealing temperature Annealing temperature Cation distribution Cation distribution CFO NFs CFO NFs Magnetization Magnetization
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| GB/T 7714 | Liu, Nannan , Du, Pengcheng , Zhou, Peng et al. Annealing temperature effects on the cation distribution in CoFe2O4 nanofibers [J]. | APPLIED SURFACE SCIENCE , 2020 , 532 . |
| MLA | Liu, Nannan et al. "Annealing temperature effects on the cation distribution in CoFe2O4 nanofibers" . | APPLIED SURFACE SCIENCE 532 (2020) . |
| APA | Liu, Nannan , Du, Pengcheng , Zhou, Peng , Tanguturi, R. G. , Qi, Yajun , Zhang, Tianjin et al. Annealing temperature effects on the cation distribution in CoFe2O4 nanofibers . | APPLIED SURFACE SCIENCE , 2020 , 532 . |
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