Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates

In this work, the composition-dependent point defect types and formation energies of RE₂Hf₂O₇ (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles calculations. The possible defect reactions and dominant defect complexes under stoichiometric and non-stoichiometric conditions are revealed. It is found that O Frenkel pairs are the predominant defect in stoichiometric pyrochlore hafnates. Hf-RE cation anti-site defects, accompanied by RE vacancies and/or oxygen interstitials, are stable in the non-stoichiometric case of HfO₂ excess. On the other hand, RE-Hf anti-site defects together with oxygen vacancies and/or RE interstitials are preferable in the case of RE₂O₃ excess. The energy barriers for the migration along the V_O48f - V_O48f pathway of pyrochlore hafnates were calculated to be between 0.81 eV and 0.89 eV. Based on these results, a defect engineering strategy is proposed and the pyrochlore hafnates investigated here are predicted to exhibit potential oxygen ionic conductivity.     

Facial-sketch Synthesis: A New Challenge

Machine Intelligence Research - This paper aims to conduct a comprehensive study on facial-sketch synthesis (FSS). However, due to the high cost of obtaining hand-drawn sketch datasets, there is a...     

Inhibitory effects of curcumin and piperine on fluorescent advanced glycation end products formation in a bovine serum albumin–fructose model

This study investigated the inhibitory effects of curcumin and piperine on fluorescent advanced glycation end products (fAGEs) formation in a bovine serum albumin (BSA)–fructose model. Model systems of BSA and fructose were prepared, and curcumin or piperine was added. fAGEs and BSA oxidation product (dityrosine, kynurenine and N'-formylkynurenine) contents were determined. The results showed that fAGEs content decreased with increasing concentration of curcumin and piperine (P < 0.05). Addition of curcumin and piperine at 160 µg mL⁻¹ could inhibit fluorescent AGEs by 100% and 93% respectively. Dityrosine and N'-formylkynurenine contents decreased as curcumin and piperine concentration increased (P < 0.05). Furthermore, the result of principal component analysis indicated that curcumin and piperine markedly impeded BSA oxidation, resulting in a lower level of fAGEs in model systems. Therefore, adding curcumin and piperine may facilitate reduced fAGEs levels in BSA–fructose model.     

Utility optimization of grouping-based uplink OFDMA random access for the next generation WLANs

Wireless Networks - In this paper, a grouping-based uplink orthogonal frequency division multiple access (OFDMA) random access method is studied which can improve users’ satisfaction in the...     

Alkylated lignin with graft copolymerization for enhancing toughness of PLA

Journal of Materials Science - A green modification method for effectively enhancing toughness of PLA was established. Herein, alkaline lignin (LG) was firstly alkylated with dodecane, and then...     

三维石墨烯-碳纳米管/水泥净浆的压敏性能

为了探索三维石墨烯-碳纳米管(G-CNTs)/水泥净浆的压敏性能,采用四电极法研究了荷载作用下GCNTs/水泥净浆的电阻率变化,并分析不同G-CNTs掺量、加载幅度、加载速度以及恒定荷载对电阻率变化的影响。研究表明:随着G-CNTs掺量的增加,电阻率呈先减小后稳定的变化趋势,在G-CNTs掺量由0.2wt%增加至1.6wt%时,电阻率下降51.8%;电阻率与温度呈负相关;G-CNTs掺量高于0.8wt%时可以显著提高水泥净浆的压敏性能,且电阻率变化率与应力应变有明显的对应关系,1.2wt%G-CNTs掺量下试件的应力灵敏系数和应变灵敏系数分别为2.3%/MPa和291;G-CNTs/水泥净浆电阻率变化率幅值随着加载幅度增大而相应增加,其电阻率变化率曲线在不同加载速度以及恒定荷载作用下均与应力-应变曲线一一对应,具有良好的压敏特性。     

Synthesis of Hollow Three-Dimensional Channels LiNi_(0.5)Mn_(1.5)O_4 Microsphere by PEO Soft Template Assisted with Solvothermal Method

A appropriate size with three-dimension(3 D) channels for lithium diffusion plays an important role in constructing highperforming LiNi_(0.5)Mn_(1.5)O_4(LNMO) cathode materials, as it can not only reduce the transport path of lithium ions and electrons, but also reduce the side effects and withstand the structural strain in the process of repetitive Li~+ intercalation/deintercalation. In this work, an e fficient method for designing the hollow LNMO microsphere with 3 D channels structure by using polyethylene oxide(PEO) as soft template agent assisted solvothermal method is proposed. Experimental results indicate that PEO can make the reagents mingle evenly and nucleate slowly in the solvothermal process, thus obtaining a homogeneous distribution of carbonate precursors. In the final LNMO products, the hollow 3 D channels structure obtained by the decomposition of PEO and carbonate precursor in the calcination can provide abundant electroactive zones and electron/ion transport paths during the charge/discharge process, which benefits to improve the cycling performance and rate capability. The LNMO prepared by adding 1 g PEO possesses the most outstanding electrochemical performance, which presented an excellent discharge capacity of 143.1 mAh g~(-1) at 0.1 C and with a capacity retention of 92.2% after 100 cycles at 1 C. The superior performance attributed to the 3 D channels structure of hollow microspheres, which provide uninterrupted conductive systems and therefore achieve the stable transfer for electron/ion.