Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Her...Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Herein,with crystal and atomic structures of the self-assembled PDI revealed from the X-ray diffraction pattern,the electronic structure is theoretically illustrated by the first-principles density functional theory calculations,suggesting the suitable band structure and the direct electronic transition for efficient photocatalytic oxygen evolution over PDI.It is confirmed that the carbonyl O atoms on the conjugation structure serve as the active sites for oxygen evolution reaction by the crystal orbital Hamiltonian group analysis.The calculations of reaction free energy changes indicate that the oxygen evolution reaction should follow the reaction pathway of H_(2)O→^(*)OH→^(*)O→^(*)OOH→^(*)O_(2)with an overpotential of 0.81 V.Through an in-depth theoretical computational analysis in the atomic and electronic structures,the origin of photocatalytic oxygen evolution activity for PDI is well illustrated,which would help the rational design and modification of polymeric photocatalysts for efficient oxygen evolution.展开更多
In this paper, using the MSISE-90 model as the reference atmosphere, we discuss the feasibility and method of deducing the peak densities of the undisturbed atomic oxygen profiles in the MLT region (the mesosphere and...In this paper, using the MSISE-90 model as the reference atmosphere, we discuss the feasibility and method of deducing the peak densities of the undisturbed atomic oxygen profiles in the MLT region (the mesosphere and lower thermosphere region) from OI (557.7 nm) night airglow intersities. The peak densities for different seasons, latitudes and longitudes are deduced from OI (557.7nm) airglow intensities through this expression. We analyze the features of inversion relative errors and discuss the influence of the variations in temperature on inversion errors. The results indicate that all inversion errors are less than 5% except for those at high altitudes in the summer hemisphere. And the impact of the variations in temperature on errors is not significant.展开更多
为提升家用雾化制氧机的用户体验及满意度,提出结合用户体验模型,采用半结构化访谈方式归纳用户需求并建立评价层级体系;采用序关系分析法进行需求指标权重计算及优度排序;通过功能分析系统技术(Function Analysis System Technique,FA...为提升家用雾化制氧机的用户体验及满意度,提出结合用户体验模型,采用半结构化访谈方式归纳用户需求并建立评价层级体系;采用序关系分析法进行需求指标权重计算及优度排序;通过功能分析系统技术(Function Analysis System Technique,FAST)功能树获取产品功能要素,指导设计方案输出;采用模糊综合评价(Fuzzy Comprehensive Evaluation,FCE)法对产品设计方案进行用户满意度评价。研究结果表明:基于序关系分析法和FCE法设计的家用雾化制氧机具有较高的用户满意度,设计方法的集成提升了用户需求获取与方案评价环节的效率及科学性,可为同类产品的创新设计提供参考。展开更多
基金supported by National Natural Science Foundation of China(No.523B2070,No.52225606).
文摘Polymeric perylene diimide(PDI)has been evidenced as a good candidate for photocatalytic water oxidation,yet the origin of the photocatalytic oxygen evolution activity remains unclear and needs further exploration.Herein,with crystal and atomic structures of the self-assembled PDI revealed from the X-ray diffraction pattern,the electronic structure is theoretically illustrated by the first-principles density functional theory calculations,suggesting the suitable band structure and the direct electronic transition for efficient photocatalytic oxygen evolution over PDI.It is confirmed that the carbonyl O atoms on the conjugation structure serve as the active sites for oxygen evolution reaction by the crystal orbital Hamiltonian group analysis.The calculations of reaction free energy changes indicate that the oxygen evolution reaction should follow the reaction pathway of H_(2)O→^(*)OH→^(*)O→^(*)OOH→^(*)O_(2)with an overpotential of 0.81 V.Through an in-depth theoretical computational analysis in the atomic and electronic structures,the origin of photocatalytic oxygen evolution activity for PDI is well illustrated,which would help the rational design and modification of polymeric photocatalysts for efficient oxygen evolution.
基金Supported by the National Science Foundation of China (40225011, 40336054)National Research Project (G2000078407)project of CAS (KZCX3-SW-217)International Collaboration Research Team Program of the Chinese Academy of Sciencesthe China-Russia Joint Research Center on Space WeatherChinese Academy of Sciences
文摘In this paper, using the MSISE-90 model as the reference atmosphere, we discuss the feasibility and method of deducing the peak densities of the undisturbed atomic oxygen profiles in the MLT region (the mesosphere and lower thermosphere region) from OI (557.7 nm) night airglow intersities. The peak densities for different seasons, latitudes and longitudes are deduced from OI (557.7nm) airglow intensities through this expression. We analyze the features of inversion relative errors and discuss the influence of the variations in temperature on inversion errors. The results indicate that all inversion errors are less than 5% except for those at high altitudes in the summer hemisphere. And the impact of the variations in temperature on errors is not significant.
