一种通过梯形PPMgLN波导倍频实现带宽可调谐光源的理论研究

本文设计了一种梯形的周期极化掺镁铌酸锂(PPMgLN)波导,并通过在传播方向上引入温度梯度来拓宽其倍频(SHG)过程的泵浦光源可接收带宽。通过有限差分的光束传输法,计算波导的有效折射率,并进行波导尺寸的设计。结果表明,通过改变梯形波导不同位置的温度,使其形成一个温度梯度,可拓宽泵浦光源的波长可接收带宽。本文所设计的PPMgLN波导最大泵浦光源可接收带宽为C波段,即1 530~1 565 nm,该波导可倍频C波段,得到输出波段带宽为765~782.5 nm,温度调谐范围为30~150 ℃。     

On the mean field limit of the Random Batch Method for interacting particle systems

The Random Batch Method proposed in our previous work(Jin et al.J Comput Phys,2020)is not only a numerical method for interacting particle systems and its mean-field limit,but also can be viewed as a model of the particle system in which particles interact,at discrete time,with randomly selected mini-batch of particles.In this paper,we investigate the mean-field limit of this model as the number of particles N→∞.Unlike the classical mean field limit for interacting particle systems where the law of large numbers plays the role and the chaos is propagated to later times,the mean field limit now does not rely on the law of large numbers and the chaos is imposed at every discrete time.Despite this,we will not only justify this mean-field limit(discrete in time)but will also show that the limit,as the discrete time intervalτ→0,approaches to the solution of a nonlinear Fokker-Planck equation arising as the mean-field limit of the original interacting particle system in the Wasserstein distance.     

Polymeric Carbon Nitride-based Single Atom Photocatalysts for CO2 Reduction to C1 Products

Photocatalytic CO₂ reduction to C₁ fuels is considered to be an important way for alleviating increasingly serious energy crisis and environmental pollution. Due to the environment-friendly, simple preparation, easy formation of highly-stable metal-nitrogen(M-N_x) coordination bonds, and suitable band structure, polymeric carbon nitride-based single-atom catalysts(C₃N₄-based SACs) are expected to become a potential for CO₂ reduction under visible-light irradiation. In this review, we summarize the recent advancement on C₃N₄-based SACs for photocatalytic CO₂ reduction to C₁ products, including the reaction mechanism for photocatalytic CO₂ reduction to C₁ products, the structure and synthesis methods of C₃N₄-based SACs and their applications toward photocatalytic CO₂ reduction reaction(CO₂RR) for C₁ production. The current challenges and future opportunities of C₃N₄-based SACs for photoreduction of CO₂ are also discussed.     

First-principles study of the co-effect of carbon doping and oxygen vacancies in ZnO photocatalyst

Although tuning band structure of optoelectronic semiconductor-based materials by means of doping single defect is an important approach for potential photocatalysis application,C-doping or oxygen vacancy(Vo)as a single defect in ZnO still has limitations for photocatalytic activity.Meanwhile,the influence of co-existence of various defects in ZnO still lacks sufficient studies.Therefore,we investigate the photocatalytic properties of ZnOx C0.0625(x=0.9375,0.875,0.8125),confirming that the co-effect of various defects has a greater enhancement for photocatalytic activity driven by visible-light than the single defect in ZnO.To clarify the underlying mechanism of co-existence of various defects in ZnO,we perform systematically the electronic properties calculations using density functional theory.It is found that the coeffect of C-doping and Vo in ZnO can achieve a more controllable band gap than doping solely in ZnO.Moreover,the impact of the effective masses of ZnO_xC_0.0625(x=0.9375,0.875,0.8125)is also taken into account.In comparison with heavy Vo concentrations,the light Vo concentration(x=0.875)as the optimal component together with C-doping in ZnO,can significantly improve the visible-light absorption and benefit photocatalytic activity.     

1,3,5-三(羧基甲氧基)苯镍配位聚合物的合成、晶体结构及性质研究

采用溶剂热法,1,3,5-三(羧基甲氧基)苯为定向配体和乙酸镍反应构筑了一个新型的金属配位聚合物[Ni(TB)₂(H₂O)₂]_n·2H₂O,其中H₃TB=1,3,5-三(羧基甲氧基)苯,通过元素分析、IR及X射线单晶衍射对配合物结构进行表征,并研究其荧光性质、热稳定性及Hirshfeld表面作用力。单晶结构分析表明,该配合物属于三斜晶系,空间群$P \overline{1}$,配合物中心离子Ni(Ⅱ)分别与来自两个水分子上的氧原子及四个不同1,3,5-三(羧基甲氧基)苯配体的羧酸氧原子配位,形成六配位的NiO₆八面体构型,并通过与1,3,5-三(羧基甲氧基)苯配体的氧原子配位不断延伸形成具有孔洞结构的一维链状构型。配合物具有良好的荧光性能和热稳定性。Hirshfeld表面作用分析表明配合物分子中O…H/H…O作用占主导且占比为39.0%,而H…H的作用力占比为25.9%,O…O的作用力占比为13.6%。     

白云石制备似立方体状方解石型碳酸钙晶体及其机理研究

以轻烧白云石粉、氯化铵和二氧化碳为原料,在未使用晶型控制剂的情况下,通过蒸氨-沉钙过程制备出了似立方体状碳酸钙。研究了反应温度、溶液中钙离子浓度、通气速率、搅拌速度以及陈化时间对碳酸钙中方解石相含量以及晶体形貌的影响,并探索了沉钙反应的晶型控制机理。结果表明,在反应温度40 ℃、钙离子浓度0.05 mol/L、通碳速率100 mL/min、搅拌速度400 r/min和陈化时间2 h的条件下,制备出形貌规整、粒径分布均匀的似立方体状碳酸钙,平均粒径为5~10 μm。该研究为提升白云石的使用价值、生产高附加价值的碳酸钙产品,以及提高白云石资源的利用率提供理论基础。     

3.0T MRI检查结合X线钼靶诊断乳腺恶性肿瘤的研究

本研究探讨3.0T磁共振成像(MRI)结合X线钼靶诊断乳腺恶性肿瘤的价值。采用回顾性研究方法,选取乳腺肿块患者110例162个病灶,给予3.0T MRI及X线钼靶检查。经病理确诊为恶性病变101个;恶性病灶形态不规则、边缘毛刺、时间-信号强度曲线(TIC)类型Ⅲ型和早期增强率≥60%比例明显高于良性病灶(P<0.05),而分叶状比例和表观扩散系数(ADC)值明显低于良性病变(P<0.05);恶性病变X线钼靶表现:形态不规则、钙化、结构不对称和大导管征比例明显高于良性病变(P<0.05);MRI联合X线钼靶诊断乳腺恶性病变的灵敏性、准确性和阴性预测值明显高于MRI诊断(P<0.05)。3.0T MRI检查结合X线钼靶诊断乳腺恶性肿瘤有较好的价值。     

水热法制备二氧化锡/钨酸铋复合光催化材料及其催化活性研究

本文用水热法制备了正交晶系的纳米球状结构的二氧化锡和正交晶系的由片状聚集成球状结构的钨酸铋,并且对二者进行了复合,制备出了二氧化锡/钨酸铋复合光催化材料。采用X射线衍射(XRD)、扫描电子显微镜(SEM)、比表面积测试仪(BET)、紫外可见分光光度计等技术对复合样品的结构、形貌、比表面积、孔容孔径和光学性质进行了表征。用碘钨灯模拟太阳光,分别以二氧化锡、钨酸铋和二氧化锡/钨酸铋复合材料为催化剂降解罗丹明B(RhB),研究所制备的二氧化锡/钨酸铋复合材料的光催化活性。光催化90 min时二氧化锡、钨酸铋和二氧化锡/钨酸铋对罗丹明B的降解率分别是9%、22%和30%。实验结果表明,在可见光下,二氧化锡/钨酸铋复合材料的光催化活性要高于单一的二氧化锡和钨酸铋。