Embedding Group VIII Elements into a 2D Rigid pc-C3N2 Monolayer to Achieve Single-Atom Catalysts with Excellent OER Activity: A DFT Theoretical Study

Under DFT calculations, a systematic investigation is carried out to explore the structures and oxygen evolution reaction (OER) catalytic activities of a series of 2D single-atom catalyst (SAC) systems, which are constructed by doping the transition metal (TM) atoms in group VIII into the cavities of rigid phthalocyanine carbide (pc-C₃N₂). We can find that when Co, Rh, Ir and Ru atoms are doped in the small or large cavities of a pc-C₃N₂ monolayer, they can be used as high-activity centers of OER. All these four new TM@C₃N₂ nanostructures can exhibit very low overpotential values in the range of 0.33~0.48 V, even smaller than the state-of-the-art IrO₂ (0.56 V), which indicates considerably high OER catalytic activity. In particular, the Rh@C₃N₂ system can show the best OER performance, given that doped Rh atoms can uniformly serve as high-OER-active centers, regardless of the size of cavity. In addition, a detailed mechanism analysis was carried out. It is found that in these doped pc-C₃N₂ systems, the number of outer electrons, the periodic number of doped TM atoms and the size of the embedded cavity can be considered the key factors affecting the OER catalytic activity, and excellent OER catalytic performance can be achieved through their effective cooperation. These fascinating findings can be advantageous for realizing low-cost and high-performance SAC catalysts for OER in the near future.     

Application of Metabolomics in Fungal Research

Metabolomics is an essential method to study the dynamic changes of metabolic networks and products using modern analytical techniques, as well as reveal the life phenomena and their inherent laws. Currently, more and more attention has been paid to the development of metabolic histochemistry in the fungus field. This paper reviews the application of metabolomics in fungal research from five aspects: identification, response to stress, metabolite discovery, metabolism engineering, and fungal interactions with plants.     

Analysis of In Vivo Existence Forms of Nardosinone in Mice by UHPLC-Q-TOF-MS Technique

Nardosinone, a sesquiterpene peroxide, is one of the main active constituents of the ethnomedicine Nardostachyos Radix et Rhizoma, and it has many bioactivities, such as antiarrhythmia and cardioprotection. To elucidate its in vivo existence forms, its metabolism is first studied using mice. All urine and feces are collected during the six days of oral dosing of nardosinone, and blood is collected at one hour after the last dose. Besides, to validate some metabolites, a fast experiment is performed, in which nardosinone was orally administered and the subsequent one-hour urine is collected and immediately analyzed by UHPLC-Q-TOF-MS. In total, 76 new metabolites are identified in this study, including 39, 51, and 12 metabolites in urine, plasma, and feces, respectively. Nardosinone can be converted into nardosinone acid or its isomers. The metabolic reactions of nardosinone included hydroxylation, hydrogenation, dehydration, glucuronidation, sulfation, demethylation, and carboxylation. There are 56 and 20 metabolites with the structural skeleton of nardosinone and nardosinone acid, respectively. In total, 77 in vivo existence forms of nardosinone are found in mice. Nardosinone is mainly excreted in urine and is not detected in the feces. These findings will lay the foundation for further research of the in vivo effective forms of nardosinone and Nardostachyos Radix et Rhizoma.     

太赫兹全金属光栅工艺中光刻胶内应力

建立了光刻工艺中内应力的三维有限元分析模型,采用热-结构耦合分析,研究了胶膜厚度、后烘温度以及降温速率对SU-8胶层中的内应力产生的影响。综合以上因素发现,较胶膜厚度和后烘温度,降温速率对胶膜应力影响最大,降温速率越小,胶膜内应力越小,当降温速率小于6 ℃/h时,进一步降低降温速率对内应力影响不大。根据上述仿真结果进行了全金属光栅的工艺实验,发现与内应力相关的问题得到了有效解决。     

油气管道数据采集与监视控制系统电磁脉冲效应实验

为研究油气管道数据采集与监视控制 (SCADA) 系统的电磁脉冲易损性和防护措施,搭建了具有数据采集、数据通信、远程控制等功能的典型油气管道SCADA模拟实验系统,进行了峰值场强最高为50 kV/m的典型高功率电磁波形作用下的电磁脉冲效应试验。利用实验数据,对目前油气管道SCADA系统面临强电磁脉冲威胁的机理和规律进行了初步分析,发现电磁脉冲对油气管道SCADA系统具有一定程度的威胁,获得了效应现象和效应阈值结果。     

溶胶-凝胶双层三波长增透膜制备

通过理论模拟与实验相结合,研究了以双层膜的方式实现三波长增透的途径。以正硅酸乙酯为前驱体,采用酸催化与碱催化溶胶混合的方式调控了溶胶折射率,并配制了双层复合膜所用的两种溶胶,制备出了351 nm处透过率大于99.5%,527 nm透过率大于98%,1053 nm透过率大于98%的三波长增透膜。用扫描电镜、原子力显微镜观测了膜层结构,用椭偏仪和分光光度计对膜层性能进行了表征。三波长增透膜对高功率激光装置的运行性能提升起到了积极的促进作用。     

频率步进太赫兹脉冲成像技术研究

针对太赫兹频段具有大带宽的特点,阐述了太赫兹波段进行高分辨力成像的原理,按照微波上变频的方法,将微波源通过混频和倍频方式得到太赫兹频率源;采用频率步进脉冲体制,设计和实现了220 GHz太赫兹主动成像系统;并在暗室和外场进行了分辨力测试和拉距实验,获得的纵向分辨力达4 cm,测试距离达10 m。     

感应同步加速器束团粒子纵向运动数值模拟

依据感应同步加速器验证实验中的相关数据,编写程序,实现了对感应同步加速中粒子纵向动力学过程的数值模拟。针对引起加速初期束团粒子大量丢失的多个可能因素进行了计算分析,明确了各因素对粒子丢失的影响方式和程度。以此为基础,提出了通过大幅减小加速腔体积并同时增加加速腔数量的方式来解决感应同步加速电压幅度实时调节困难的可行性建议,为感应同步加速器的性能提升提供了参考。     

品质因数对薄膜体声波谐振器振荡器频率稳定度的影响

在薄膜体声波谐振器(FBAR)振荡器中,振荡器的有载品质因数(QL)和FBAR的品质因数(Q值)均与振荡器的频率稳定度有关。为了研究这两种品质因数对FBAR振荡器频率稳定度的影响,在COMSOL Multiphysics软件中建立了FBAR的多物理场模型,通过频域仿真和MBVD(Modified Butterworth-Van Dyke)模型参数拟合,得到了MBVD模型参数,并在ADS软件中建立了MBVD模型电路,通过S参数仿真结合求取Q值的Bode法得到了不同损耗对应的Q值;再建立基于Pierce架构的振荡器,通过谐波平衡仿真得到了相位噪声,通过分别改变QL和Q得到了二者对FBAR振荡器频率稳定度的影响。结果表明：频率稳定度随QL和Q的增大而增大,Q值随不同损耗的增大而减小。当FBAR的Q值低于338时,即使通过增大QL来提高频率稳定度,其效果也不佳,以此FBAR构成的振荡器将不能满足作为无线通信射频前端参考信号源或者FBAR传感器读出电路的要求。为FBAR参考信号源和FBAR传感器读出电路的设计提供了一定的参考。     

MCNP程序中一处缺陷的证实及规避方法

当应用MCNP程序的SDEF卡进行固定源问题的源信息描述时,需要对源的分布进行描述,MCNP程序提供了SP卡用以指定源在各个栅元中的分布概率,SP卡中的V选项用于便利用户实现体密度方式的源强分布描述。研究发现,该程序存在一个缺陷,在使用SP卡V选项时可能会导致计算结果的不准确。通过构建典型算例模型,对使用V选项和不使用该选项的计算结果进行对比分析,可以证实该缺陷的存在,并且能够证明可以通过其他源描述方法在具体的程序使用中规避该缺陷。