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Fabrication of MgO-Y2O3 Composite Nanopowders by Combining Hydrothermal and Seeding Methods
No full textIn this study, the combination of hydrothermal technique and seed-doping method was conducted to coordinately control the formation of fine MgO-Y2O3 powders, which are promising mid-infrared materials applied to hypersonic aircraft windows due to their excellent infrared transmissions over wide regions. Y(NO3)(3)center dot 6H(2)O, Mg(NO3)(2)center dot 6H(2)O, Y2O3 seeds and MgO seeds were used as raw materials to prepare the MgO-Y2O3 composite powders (50:50 vol.%), and the influences of the seed contents and hydrothermal treatment temperatures on the final powders and hot-pressed ceramics were investigated by XRD, SEM and TEM techniques. The results show that powders with a seed content of 5% that are hydrothermally synthesized at 190 degrees C can present a better uniformity and dispersion with a particle size of similar to 125 nm. Furthermore, the ceramics prepared with the above powders displayed a homogenous two-phase microstructure, fewer pores and a fine grain size with Y2O3 of similar to 1 mu m and MgO of similar to 620 nm. The present study may open an avenue for developing transparent ceramics based on MgO-Y2O3 nanopowders prepared by hydrothermal technique
Scientific Research Common Program of Beijing Municipal Commission of Education[KM202010017006]
No full textRevisiting the structure, interaction, and dynamical property of ionic liquid from the deep learning force field
No full textRational understanding of interaction and structure of ionic liquids (ILs) is vital for their application in super -capacitors. The force field trained by machine learning has aroused considerable interest in the molecular design of ILs, which can effectively balance the competition between computational accuracy and efficiency. In this work, a new deep learning force field (DPFF) for 10 different ILs was obtained, where the dataset for atomic energy and force was prepared via the ab initio molecular dynamics (MD) simulation. Using the trained DPFF, the ns-long MD simulations for various ILs were performed successfully. Combining the error analysis on atomic energy, distribution of bonds and angles, and potential energy, one can prove that the MD simulation with DPFF can describe the force and energy of ILs with ab initio precision. Meanwhile, the analysis of the vibrational spectrum and hydrogen bond suggests that the DPFF can also predict the coupling nature between coulombic and hydrogen bonding interactions within ILs reasonably. Furthermore, the DPFF for ILs is trained to extend to the bulk system. Hence, DPFF, possessing high accuracy and low computational cost, can serve as an effective tool for the molecular design of new ILs-based electrolytes for high-performance energy storage devices
Tailored nitrogen-defect induced by diels-alder reaction for enhanced electrochemical hydrogen evolution reaction
No full textElectrocatalytic water splitting in an alkaline medium is recognized as the promising technology to sustainably generate clean hydrogen energy via hydrogen evolution reaction (HER), while the sluggish water dissociation and subsequent *H adsorption steps greatly retarded the reaction kinetics and efficiency of the overall hydrogen evolution process. Whilst nitrogen (N)-doped carbon-based materials are attractive candidates for promoting HER activity, the facile fabrication and gaining a deeper insight into the electrocatalytic mechanism are still challenging. Herein, inspired by the Diels-Alder reaction, we precisely tailored six-membered pyridinic N and five-membered pyrrolic N sites at the edge of the carbon substrates. Comprehensive analysis validates that the participation of pyridinic N (electron-withdrawing) and pyrrolic N (electron-releasing) will induce the charge rearrangements, and further generate local electrophilic and nucleophilic domains in adjacent carbon rings, which guarantees the occurrence of water dissociation to generate protons and the subsequent adsorption of *H intermediates through elec-trostatic interactions, thereby facilitating the overall reaction kinetics. To this end, the optimal NC-ZnCl2- 25 % electrocatalysts present excellent alkaline HER activity (l10 = 45 mV, Tafel slop of 37.7 mV dec-1) superior to commercial Pt/C. (c) 2022 Elsevier Inc. All rights reserved
IPE Talent Start-up Program of Institute of Process Engineering of Chinese Academy of Sciences[E0293507]
No full textFacilitating uniform lithium deposition via nanoconfinement of free amide molecules in solid electrolyte complexion for lithium metal batteries
No full textAs a facile method to facilitate the uniform lithium deposition on the lithium metal anode, a unique solid electrolyte complexion consisted of polyethylene oxide, UiO-66-NH2, and deep eutectic solvents (PEMD) with nanoconfinement significantly improves the lithium metal cycling stability. Specifically, the free amide molecules of deep eutectic solvents are nanoconfined by UiO-66-NH2 in the polyethylene oxide (PEO) matrix, and an excellent symmetrical electrochemical cycling performance more than 3600 h is achieved, extended by similar to 10 times comparing to the reference. Furthermore, the Li || PEMD || LiFePO4 cell not only exhibits satisfactory electrochemical performance at 60 degrees C inherited from PEO, but also presents unexpected capacity reversibility, cycling stability, and enhanced rate capability at low temperatures down to 10 degrees C. The design of the solid electrolyte complexion with nanoconfinement opens an innovative avenue to the practical implementation of the PEO based lithium metal batteries
