Density functional theory study of the interaction of H2 with pure and Ti-doped WO3 (002) surfaces

Density functional theory (DFT) calculations are conducted to explore the interaction of H₂ with pure and Ti-doped WO₃ (002) surfaces. Four top adsorption models of H₂ on pure and Ti-doped WO₃ (002) surfaces are investigated respectively, they are adsorption on bridging oxygen O_1c, absorption on plane oxygen O_2c, absorption on 5-fold W_5c (Ti), and absorption on 6-fold W_6c. The most stable and H₂ possible adsorption structure in the pure surface is H-end oriented to the surface plane oxygen O_2c site, while the favourable adsorption sites for H₂ in a Ti-doped surface is not only an O_2c site but also a W_6c site. The adsorption energy, the Fermi energy level E_F, and the electronic population are investigated and the H₂-sensing mechanism of a pure-doped WO₃ (002) surface is revealed theoretically: the theoretical results are in good accordance with our existing experimental results. By comparing the above three terms, it is found that Ti doping can obviously enhance the adsorption of H₂. It can be predicted that the method of Ti-doped into a WO₃ thin film is an effective way to improve WO₃ sensor sensitivity to H₂ gas.     

The light-enhanced NO₂ sensing properties of porous silicon gas sensors at room temperature

The NO2 gas sensing behavior of porous silicon(PS) is studied at room temperature with and without ultraviolet(UV) light radiation.The PS layer is fabricated by electrochemical etching in an HF-based solution on a p +-type silicon substrate.Then,Pt electrodes are deposited on the surface of the PS to obtain the PS gas sensor.The NO2 sensing properties of the PS with different porosities are investigated under UV light radiation at room temperature.The measurement results show that the PS gas sensor has a much higher response sensitivity and faster response-recovery characteristics than NO2 under the illumination.The sensitivity of the PS sample with the largest porosity to 1 ppm NO2 is 9.9 with UV light radiation,while it is 2.4 without UV light radiation.We find that the ability to absorb UV light is enhanced with the increase in porosity.The PS sample with the highest porosity has a larger change than the other samples.Therefore,the effect of UV radiation on the NO2 sensing properties of PS is closely related to the porosity.     

窄带紫外LED照射对大鼠骨代谢的影响

背景：紫外线是维持骨骼健康的关键条件之一，但由于传统的紫外线光谱较宽，在骨质疏松症领域并未引起足够的重视。材料与方法：在研究中，建立了一种新设计的窄带光谱LED器件，以研究紫外LED对骨质疏松大鼠骨代谢、骨形态和皮肤的影响。共设置了去卵巢大鼠（n=24）和去卵巢大鼠（n=36）。然后将去卵巢大鼠分为假手术组（Sham，n=12）和检测模型组（Sham，n=12)。将去卵巢大鼠分为LED照射组（LED，n=12）、未处理组（OVX，n=12）或检测模型组（OVX，n=12）。LED 辐照参数（0.8 mW·cm-2，1 000 s，每周两次）。结果：与假手术组相比，维生素D、mRNA、血清ALP、血清25(OH)D₃、血清P1NP的表达明显升高，血清PTH和血清TRAP的表达明显降低。大鼠皮肤照射前后p53基因未见明显变化。结论：研究结果表明，新型紫外 LED 器件照射可显着提高血液中 25(OH)D₃ 水平，促进骨形成，抑制骨吸收，且对大鼠皮肤无不良影响。     

The light-enhanced NO2 sensing properties of porous silicon gas sensors at room temperature

The NO2 gas sensing behavior of porous silicon（PS） is studied at room temperature with and without ultraviolet（UV） light radiation.The PS layer is fabricated by electrochemical etching in an HF-based solution on a p ＋-type silicon substrate.Then,Pt electrodes are deposited on the surface of the PS to obtain the PS gas sensor.The NO2 sensing properties of the PS with different porosities are investigated under UV light radiation at room temperature.The measurement results show that the PS gas sensor has a much higher response sensitivity and faster response-recovery characteristics than NO2 under the illumination.The sensitivity of the PS sample with the largest porosity to 1 ppm NO2 is 9.9 with UV light radiation,while it is 2.4 without UV light radiation.We find that the ability to absorb UV light is enhanced with the increase in porosity.The PS sample with the highest porosity has a larger change than the other samples.Therefore,the effect of UV radiation on the NO2 sensing properties of PS is closely related to the porosity.     

γ－环氧丙氧丙基三甲氧基硅烷的气相色谱测定及其在硅胶键合反应中的应用

建立了气相色谱法定性、定量分析γ-环氧丙氧丙基三甲氧基硅烷的方法,用于生产产品质量、键合试剂纯度分析,并用于测定键合反应中该硅烷化试剂浓度随时间的变化,考察了硅烷化试剂键合反应和自身开环缩合反应的速率,得到了最佳键合反应条件。     

拟线性椭圆系统非径向爆破解的非存在性

该文考虑拟线性椭圆系统△_(pi)u_i+ζ_i(|x|)|▽u_i|~(pi-1)=η_i(|x|)f_i(u_1,…,u_m),其中i=1,…,m,pi≥2,ζ_i和η_i是正连续函数,f_i是非负连续函数且关于每个分量是非减的.通过应用新建立的比较原理证明系统不存在非径向爆破解.     

Density functional theory study of NO2-sensing mechanisms of pure and Ti-dopedWO3 （002） surfaces

Density functional theory (DFT) calculations are employed to explore the NO₂-sensing mechanisms of pure and Ti-doped WO₃ (002) surfaces. When Ti is doped into the WO₃ surface, two substitution models are considered: substitution of Ti for W_6c and substitution of Ti for W_5c. The results reveal that substitution of Ti for 5-fold W forms a stable doping structure, and doping induces some new electronic states in the band gap, which may lead to changes in the surface properties. Four top adsorption models of NO₂ on pure and Ti-doped WO₃ (002) surfaces are investigated: adsorptions on 5-fold W (Ti), on 6-fold W, on bridging oxygen, and on plane oxygen. The most stable and likely NO₂ adsorption structures are both N-end oriented to the surface bridge oxygen O_1c site. By comparing the adsorption energy and the electronic population, it is found that Ti doping can enhance the adsorption of NO₂, which theoretically proves the experimental observation that Ti doping can greatly increase the WO₃ gas sensor sensitivity to NO₂ gas.