Tm∶K2YF5晶体的光谱参量计算

测量了Tm∶K2YF5晶体的吸收光谱,根据Judd-Ofelt理论计算了Tm3 在K2YF5中的强度参数:Ω2=5.02×10-20cm2,Ω4=3.40×10-20cm2,Ω6=0.38×10-20cm2,以及Tm3 激发能级的自发辐射跃迁几率A,荧光分支比β,荧光寿命τ和积分发射截面∑等光谱参量。     

金属有机框架衍生的阳离子调控金属硫化物增强析氧反应活性（英文）

析氧反应(OER)在电化学能源存储与转化技术(例如,电解水与金属-空气电池)中扮演着至关重要的角色.OER涉及四个电子的连续转移,动力学较为缓慢,因此需要较高的过电位来驱动反应进行,这严重限制了其在电化学储能和转换系统中的应用.IrO₂和RuO₂等贵金属基催化剂资源稀缺、价格高昂,因此,开发高活性、高稳定性及低成本的OER电催化剂显得尤为重要,并且极具挑战.杂原子掺杂是一种有效提升过渡金属化合物OER电催化剂活性的策略,但是当前对其本征活性位点的识别及活性提升机制的研究仍然不足.本文提出了一种阳离子掺杂策略,通过引入金属阳离子调控多金属组分的电子结构,优化OER中间体吸附能,进而提升OER活性.通过简单的一步热解硫化钴镍双金属有机框架材料前驱体,成功制备了Ni掺杂CoS/氮掺杂介孔碳(Ni-CoS/NC)复合结构电催化剂;并采用循环伏安法研究了其电化学行为与OER性能,结合谱学研究结果与密度泛函理论(DFT)计算,从原子层面揭示了OER条件下真实活性位点及掺杂型电催化剂的活性提升机制.电化学研究结果表明,所制备Ni-CoS/NC催化剂在1.0...     

Effect of pulsed bias on the properties of ZrN/TiZrN films deposited by a cathodic vacuum arc

ZrN/TiZrN multilayers are deposited by using the cathodic vacuum arc method with different substrate bias(from 0 to 800 V),using Ti and Zr plasma flows in residual N 2 atmosphere,combined with ion bombardment of sample surfaces.The effect of pulsed bias on the structure and properties of films is investigated.Microstructure of the coating is analyzed by X-ray diffraction(XRD),and scanning electron microscopy(SEM).In addition,nanohardness,Young’s modulus,and scratch tests are performed.The experimental results show that the films exhibit a nanoscale multilayer structure consisting of TiZrN and ZrN phases.Solid solutions are formed for component TiZrN films.The dominant preferred orientation of TiZrN films is(111) and(220).At a pulsed bias of 200 V,the nanohardness and the adhesion strength of the ZrN/TiZrN multilayer reach a maximum of 38 GPa,and 78 N,respectively.The ZrN/TiZrN multilayer demonstrates an enhanced nanohardness compared with binary TiN and ZrN films deposited under equivalent conditions.     

Ni-Co合金快淬过程的分子动力学模拟

采用分子动力学模拟熔体旋淬技术的合金快淬过程,在不同的冷却速度下研究Ni-Co合金在快淬后的结构特征.模拟发现:Ni-Co二元合金的凝固过程对冷却速率的变化较为敏感,体系对形成非晶对冷却速率要求较高,约在80 K/ps以上,可以采用增加添加元素的方法来降低材料对冷却速率的要求;在75 K/ps的冷却速率下合金最终完全晶...     

BeH2薄膜的制备及红外特性

采用蒸发铍原子与非平衡态氢原子反应制备了透明的BeH2薄膜.扫描电子显微镜(SEM)观察到薄膜表面存在微孔洞,红外光谱显示在722 cm-1有一个强烈的吸收峰.采用密度泛函理论(DFT)对BeH2网状结构进行了计算,得到的3个基本振动模式的频率和强度与文献中BeH2粉末的实验数据基本一致,其中弯曲振动的计算频率为747...     

Ni5Nd2B4的电子结构和磁性能研究

采用LSDA（Local spin-density approximation）近似及LSDA+U（在位库伦势）近似模拟金属间化合物Ni5Nd2B4的磁性能对于R-M-B合金特性的研究具有重要意义。研究结果显示,LSDA近似下,Ni5Nd2B4具备金属导体性质,晶体结构中最紧邻Ni、B原子间杂化成键,最紧邻Ni-Ni共价成键,Nd、B原子形成成键分子轨道作用,Ni原子间存在自旋消弱现象;LSDA+U近似下,Nd原子磁矩提供体系磁性来源,由于自旋排斥作用Ni原子电子与Nd原子电子自旋方向相反,体系在U值约为6.35eV的作用下能较理想的处理体系电子作用。     

荧光探针可视化检测水溶液中铜离子

设计并合成了一例罗丹明B衍生物D2.作为专一识别Cu2+的探针,在2 ×10-5 mol/L HEPESCH3CN(1:1,V/V,含0.1 mol/L NaN03,pH=7.4)溶液中,D2本身无颜色,荧光微弱;加入Cu+后,溶液很快呈现粉红色,并且荧光增强2.7倍,而对其它常见金属离子都没有响应.紫外吸收光谱显示D...     

脉冲高能量密度等离子体法类金刚石膜的制备及分析

利用脉冲高能量密度等离子体法在光学玻璃衬底上、在室温下成功的制备了光滑、致密、均匀的纳米类金刚石膜.工艺研究表明：放电电压和放电距离以及工作气体种类对纳米类金刚石膜的沉积起着关键作用.利用拉曼光谱、扫描电镜以及电子能量损失谱分析薄膜的形态结构表明：薄膜具有典型的类金刚石特征；纳米类金刚石膜的晶粒尺寸小于20nm甚至为非晶态；类金刚石膜中含有一定量的氮原子，随着沉积能量的升高，氮的含量增大.纳米类金刚石膜的薄膜电阻超过109Ω/cm2.对放电溅射过程进行了理论分析，结果与工艺研究的结论吻合.     

Fabricating a reactive surface on the fibroin film by a room-temperature plasma jet array for biomolecule immobilization

A simple dielectric barrier discharge(DBD) jet array was designed with a liquid electrode and helium gas.The characteristics of the jet array discharge and the preliminary polymerization with acrylic acid(AA) monomer were presented.The plasma reactor can produce a cold jet array with a gas temperature lower than 315 K,using an applied discharge power between 6 W and 30 W(V dis × I dis).A silk fibroin film(SFF) was modified using the jet array and AA monomer,and the treated SFF samples were characterized by atomic force microscopy(AFM),scanning electron microscopy(SEM),Fourier transform infrared spectroscopy(FTIR),and contact angle(CA).The deposition rate of the poly acrylic acid(PAA) was able to reach 300 nm/min,and the surface roughness and energy increased with the AA flow rate.The FTIR results indicate that the modified SFF had more carboxyl groups(-COOH) than the original SFF.This latter characteristic allowed the modified SFF to immobilize more quantities of antimicrobial peptide(AP,LL-37) which inhibited the Escherichia coli(E.Coli) effectively.     

Surface diffuse discharge mechanism of well-aligned atmospheric pressure microplasma arrays

A stable and homogeneous well-aligned air microplasma device for application at atmospheric pressure is designed and its electrical and optical characteristics are investigated. Current-voltage measurements and intensified charge coupled device(ICCD) images show that the well-aligned air microplasma device is able to generate a large-area and homogeneous discharge at the applied voltages ranging from 12 kV to 14 kV, with a repetition frequency of 5kHz, which is attributed to the diffusion effect of plasma on dielectric surface. Moreover, this well-aligned microplasma device may result in the uniform and large-area surface modification of heat-sensitive PET polymers without damage, such as optimization in hydrophobicity and biocompatibility. In the biomedical field, the utility of this well-aligned microplasma device is further testified. It proves to be very efficient for the large-area and uniform inactivation of E. coli cells with a density of 103/cm~2 on LB agar plate culture medium, and inactivation efficiency can reach up to 99% for 2-min treatment.