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.     

涂装车间节水方案企划与实施

某涂装车间在现有节水措施的基础上，通过企划与实施一系列新的技术及精益管理措施，如，磷化出槽喷淋工艺优化、纯水制水率提升、空调冷凝水回用率提升、中水深度处理回用、用水分级管理等，将新鲜水用量从 15. 2 L/m2降至 11. 3 L/m2，达到涂装行业清洁生产评价指标体系（ 2016版）中的 I级标准 12 L/m²要求，处于国内领先水平。     

Achieving fabrication of highly transparent Y2O3 ceramics via air pre-sintering by deionization treatment of suspension

An easy albeit quite effective deionization suspension treatment was adopted to alleviate the detrimental effects related to the hydrolysis of Y₂O₃ in an aqueous medium. Fabrication of highly transparent Y₂O₃ ceramics with a fine grain size via air pre-sintering and post–hot isostatic pressing (HIP) treatment without using any sintering additive was achieved using the treated suspensions. The hydrolysis issue of Y₂O₃ powder in an aqueous medium was effectively alleviated by using deionization treatment, and a well-dispersed suspension with a low concentration of dissolved Y³⁺ species was obtained. The dispersed suspensions were consolidated by the centrifugal casting method, and the green bodies derived from the suspension of 35.0 vol% solid loading showed an improved homogeneity with a relative density of 52.1%. Fully dense Y₂O₃ transparent ceramic with high transparency was obtained by pre-sintering consolidated green compacts at a low temperature of 1400°C for 16 h in air followed by a post-HIP treatment at 1550°C for 2 h under 200 MPa pressure. The sample had a fine average grain size of 690 nm. The in-line transmittance of the sample reached 83.3% and 81.8% at 1100 nm and 800 nm, respectively, very close to the theoretical values of Y₂O₃.     

An Injectable Hydrogel for Simultaneous Photothermal Therapy and Photodynamic Therapy with Ultrahigh Efficiency Based on Carbon Dots and Modified Cellulose Nanocrystals

The convenience of injectable hydrogels that can provide high loading of diverse phototherapy agents and further long-time retention at the tumor site has attracted tremendous interest in simultaneous photothermal and photodynamic cancer therapies. However, to incorporate the phototherapy agents into hydrogels, complex modifications are generally unavoidable. Moreover, these phototherapy agents usually suffer from low efficiency and work at different irradiation wavelengths outside the near infrared windows. Hence, a method for the fabrication of an injectable hydrogel for simultaneous photothermal therapy and photodynamic therapy, through the Schiff-base reaction between amido modified carbon dots (NCDs) and aldehyde modified cellulose nanocrystals is proposed. The NCDs act as both phototherapy agents and crosslinkers to form hydrogels. Significantly, the NCDs demonstrate an extremely high photothermal conversion efficiency of 77.6% which is among the highest levels for photothermal agents and a high singlet quantum yield of 0.37 under a single 660 nm light-emitting diode irradiation. The hydrogels are examined through in vitro and in vivo animal experiments which show nontoxic and effectively tumor inhibition. Thus, the strategy of direct reaction of phototherapy agents and the matrix not only provides new strategies for injectable hydrogel fabrication but paves a new road for advanced tumor treatment.     

Suppressed Lattice Disorder for Large Emission Enhancement and Structural Robustness in Hybrid Lead Iodide Perovskite Discovered by High-Pressure Isotope Effect

The soft nature of organic–inorganic halide perovskites renders their lattice particularly tunable to external stimuli such as pressure, undoubtedly offering an effective way to modify their structure for extraordinary optoelectronic properties. Here, using the methylammonium lead iodide as a representative exploratory platform, it is observed that the pressure-driven lattice disorder can be significantly suppressed via hydrogen isotope effect, which is crucial for better optical and mechanical properties previously unattainable. By a comprehensive in situ neutron/synchrotron-based analysis and optical characterizations, a remarkable photoluminescence (PL) enhancement by threefold is convinced in deuterated CD₃ND₃PbI₃, which also shows much greater structural robustness with retainable PL after high peak-pressure compression–decompression cycle. With the first-principles calculations, an atomic level understanding of the strong correlation among the organic sublattice and lead iodide octahedral framework and structural photonics is proposed, where the less dynamic CD₃ND₃⁺ cations are vital to maintain the long-range crystalline order through steric and Coulombic interactions. These results also show that CD₃ND₃PbI₃-based solar cell has comparable photovoltaic performance as CH₃NH₃PbI₃-based device but exhibits considerably slower degradation behavior, thus representing a paradigm by suggesting isotope-functionalized perovskite materials for better materials-by-design and more stable photovoltaic application.     

多堆厂址始发事件分析探讨

多堆厂址一级概率安全评价（PSA）研究中，机组数目的增加使得建模工作量剧增，给整个核电厂的风险评估带来困难。结合已有基础，本文研究了多堆厂址始发事件分析的筛选方法，提出利用堆芯损伤频率（CDF）上下限值评估方法，分析厂址内不同机组数对厂址CDF的影响。结果表明，双机组厂址适合优先进行具体分析。针对双机组核电站，对多堆厂址内各始发事件进行筛选。结果表明，丧失厂外电、丧失热阱等事件适合建模分析，并对其他筛选结果给出后续分析建议，为多堆厂址一级PSA后续事故序列建模工作提供了重要基础。     

新形势下建筑经济成本管理中的问题及优化措施

随着我国社会主义经济的快速发展,我国的建筑工程已经取得了很大进展,建筑企业对于成本控制工作也日益得到了重视。经济成本管理主要包括企业资金的使用规划、流通预测和监督管理等多项内容,是建筑企业重点工作之一,同时也是践行可持续发展目标的基本任务。因此,建筑企业应该加大力度认真地重视建筑成本管理问题,运用各种科学、合理的管理方式和手段,尽可能地最高限度减少资金支出的成本,为建筑企业健康、稳定地生存与发展奠定了重要基础和技术保障。     

Preparation of a ternary hybrid of P-g-C3N4@PGS-Ti and its enhancement of the flame retardancy of epoxy resins

A novel ternary hybrid flame retardant named P-g-C₃N₄@PGS-Ti was prepared through step-by-step method. First, titanium dioxide was loaded on PGS to make PGS-Ti (where PGS = palygorskite), and then, PGS-Ti was decorated by phosphor-doped g-C₃N₄ (abbreviated as P-g-C₃N₄) to prepare a ternary flame retardant of P-g-C₃N₄@PGS-Ti. It showed that P-g-C₃N₄@PGS-Ti could efficiently improve the flame retardancy of epoxy resins (EP). The structure and the morphology of P-C₃N₄@PGS-Ti were characterized by Fourier transform infrared spectroscopy, X-ray diffraction, scaanning electron microscopy and hermogravimetric analysis (TGA). The flame retardancy and the burning behavior of 5 wt% P-g-C₃N₄@PGS-Ti composited EP were well investigated through TGA, limiting oxygen index (LOI), cone calorimeter test (CCT) and vertical burning test (UL-94 standard). It was found that the peak heat releasing (pk-HRR) of the EP/P-g-C₃N₄@PGS-Ti composite reduced 36% (from 1459 to 852 kW/m²) with the addition of 5 wt% of P-g-C₃N₄@PGS-Ti flame retardant to the matrix of EP. The combustion residue analysis showed that the EP/P-g-C₃N₄@PGS-Ti composite gained the most continuous and firmest char yield due to the synergistic effect of PGS, TiO₂ and the introducing of P element. The mechanism proved that the combination of gas phase and condensed phase flame-retardant processes were well coordinated to improve the fire retardancy for EP. We tested and studied the mechanical properties of EP/P-g-C₃N₄@PGS-Ti composites. Only 2.4% decreasing of flexural strength and 23.5% decreasing of impact strength in EP/P-g-C₃N₄@PGS-Ti composites compared to pure EP, respectively. But according to the test results of EP/P-g-C₃N₄@PGS-Ti composite material and the control sample in the system, EP/P-g-C₃N₄@PGS-Ti composite material had the highest flexural modulus and impact strength.