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 VO48f - VO48f 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. 相似文献
Food Science and Biotechnology - Aluminum based reflective nanolens arrays were developed via a series of aluminum electropolishing and anodization steps with subsequent selective dissolution of... 相似文献
Removal of imidacloprid and acetamiprid in tea infusions by microfiltration membrane using dead‐end model was investigated in the present study. The results showed that microfiltration significantly promoted the removal of both pesticides (P < 0.05) in tea infusions. Furthermore, the extent of removal was strongly influenced by the pore size of membrane, operational pressure and the concentrations of tea infusions. The initial concentration of imidacloprid and acetamiprid showed no significant effect on their removal rates. The maximum removal rates were 79.7% for imidacloprid and 81.9% acetamiprid. The changes in major chemical components of tea infusions after microfiltration were evaluated. The results indicated that microfiltration caused no considerable changes in total polyphenols and total free amino acids, and small but statistically significant losses (6.3–18.0%) of eight catechins and three methylxanthines when filtration volume reached to 200 mL. The present study validated the application of microfiltration as a potentially feasible and promising method for the removal of imidacloprid and acetamiprid residues from tea infusions. 相似文献
Ceramics with mullite whiskers were prepared from coal fly ash and Al2O3 raw materials, with AlF3 used as an additive. The phase structures and microstructures of the ceramics were identified via X-ray diffraction and scanning electron microscopy, respectively. The results show that pickling of coal fly ash is an effective method for enhancing the flexural strength of ceramics. Sintering temperature and AlF3 addition were also key factors influencing the creation of ideal ceramics. The ceramic made from pickled coal fly ash, 6?wt% AlF3, and sintered at 1200?°C, exhibited the highest flexural strength of 59.1?MPa, and had a bulk density of 1.32?g/cm3 and porosity of 26.8%. The results show that ceramic materials made under these conditions are ideal candidates for manufacturing ceramic proppants for the exploitation of unconventional oil and gas resources. 相似文献
Breast cancer is one of the most common female malignancies, as well as the second leading cause of mortality for women. Early detection and treatment can dramatically decrease the mortality rate. Recently, automated breast volume scanner (ABVS) has become one of the most frequently used diagnose methods for breast tumor screening because of its operator-independent and reproducible advantages. However, it is a challenging job to obtain the tumors’ accurate locations and shapes by reviewing hundreds of ABVS slices. In this paper, a novel computer-aided detection (CADe) system is developed to reduce clinicians’ reading time and improve the efficiency. The CADe system mainly contains three parts: tumor candidate acquisition, false-positive reduction and tumor segmentation. Firstly, a local phase-based approach is built to obtain breast tumor candidates for further recognition. Subsequently, a convolutional neural network (CNN) is applied to reduce false positives (FPs). The introduction of CNN can help to avoid complicated feature extraction as well as elevate the accuracy and efficiency. Finally, superpixel-based segmentation is used to outline the breast tumor. Here, superpixel-based local binary pattern (SLBP) is proposed to assist the segmentation, which improves the performance. The methods were evaluated on a clinical ABVS dataset whose abnormal cases were manually labeled by an experienced radiologist. The experiment results were mainly composed of two parts. At the FP reduction stage, the proposed CNN achieved 100% and 78.12% sensitivity with FPs/case of 2.16 and 0. At the segmentation stage, our SLBP obtained 82.34% true positive, 15.79% false positive and 83.59% Dice similarity. In summary, the proposed CADe system demonstrated promising potential to detect and outline breast tumors in ABVS images.
The high cost of noble metal catalysts has been a great bottleneck for the catalyst industry. Using the noble metal at a single-atom level for catalytic applications could dramatically decrease the cost. The impacts of single Pt atoms on the photocatalytic performance of Ag3VO4 have been investigated and reported. In this report, single Pt atoms were anchored on the surface of Ag3VO4 (AVO) as a cocatalyst, and the resultant composite photocatalyst has been studied for photocatalytic H2 production from water driven by visible light. The as-prepared AVO particles are hollow nanospheres in the monoclinic phase with a bandgap of 2.20 eV. The light absorption edge of AVO/Pt is slightly red-shifted compared to that of the pristine AVO, indicating more visible light absorption of AVO/Pt. The XPS peaks of Ag, V, and Pt exhibit a significant shift after AVO and Pt get into contact, suggesting the strong interaction between the surface Ag and V atoms, and single Pt atoms. After 3-h illumination, the photocatalytic H2 evolution amount from AVO/Pt is improved up to 1400 μmol, which is 2.8 times that on the bare AVO. Such efficient photocatalytic H2 evolution on AVO/Pt is still maintained after five reaction cycles. The better photocatalytic performance of AVO/Pt has been attributed to the more efficient visible light utilization and the lower interfacial charge transfer resistance, as demonstrated in the DRS and EIS spectra. The presence of the surface Pt atoms also leads to a higher amount of reactive radicals, which could efficiently promote the surface redox reactions. 相似文献