钨离子团簇与N2分子的反应性

利用激光蒸发团簇源产生Wn团簇束,团簇束通过一个充有N2气体分 子的低压反应池,利用飞行时间质谱探测反应产物,在类单次碰撞条件下研究了W+10 -W+50和N2分子的反应性,在室温条件下测量了N2分子与W+n团簇反应的 反应几率。团簇尺寸在10～26原子的团簇与N2分子的反应几率与团簇尺寸有很强的相关性 ,对n=16,22,23的团簇具有比较高的反应性。W+n与N2分子的反应性与Wn与N 2分子的反应性显示出相似的规律性。     

自由钨团簇与氮分子反应性的尺寸相关性

用激光蒸发团簇源产生Wn团簇束 ,团簇通过一个充有N2 气体分子的低压反应池 ,利用飞行时间质谱探测反应产物 ,在单次碰撞条件下研究了W+ 10 —W+ 50 和N2 分子的反应性 ,在室温条件下测量了N2 分子与W+ n 团簇反应的反应几率 .n =10— 2 6的团簇与N2 分子的反应几率与团簇尺寸有很强的相关性 ,n =16 ,2 2 ,2 3的团簇有较高的反应性 .W+ n 与N2 分子的反应性与Wn与N2 分子的反应性显示出相似的规律性. A beam of tungsten clusters, seeded in He gas, is produced in a pulsed laser vaporization source. We have studied the size-dependent reactivity of positive tungsten cluster ions with N 2 under single-collision conditions by using laser-vaporization source, low-pressure reaction cell and time-of-flight mass spectrometer. The reaction probability with N 2 molecule was measured as a function of cluster size, W + 10-W + 50, for clusters produced at room temperature...     

原子,分子和团簇与同步辐射

介绍了同步辐射、特别是第三代同步辐射对原子、分子和团簇物物理研究的意义。第三代同步辐射光源能力它们提供哪些新的实验手段是上述邻内广大研究人员共同关心的问题，作者尝试表明自己的一些观点。     

团簇碰音中双团簇分子（Na9）2的形成研究

采用紧密结合分子动力学模型,对Ｎａ９＋Ｎａ９碰撞系统在质心系中单原子的轰击能量为Ｅｃｍ／ｎ＝０．００６３ｅＶ的对心碰撞进行了研究。从动力学的观战对双团簇分子（Ｎａ９）２的形成给预了证明,结合所谓“「突然冷却”技术,鉴别出所形成的（Ｎａ９）２,并给出了其结构性质。     

甲烷团簇与氘团簇的团簇源特性比较

利用瑞利散射法测量了特定喷嘴产生的甲烷团簇及氘团簇的大小随背压的变化曲线。将团簇大小的实验值与Hagena理论进行了比较,当背压超过3MPa时,两种团簇的实验值都明显高于理论值。实验发现,特定喷嘴在相同的背压下,常温(298K)甲烷团簇尺寸小于低温(80K)氘团簇尺寸,而甲烷团簇中氢原子数至少是氘团簇中氘原子数的1.98倍。     

甲烷团簇与氘团簇的团簇源特性比较

利用瑞利散射法测量了特定喷嘴产生的甲烷团簇及氘团簇的大小随背压的变化曲线。将团簇大小的实验值与Hagena理论进行了比较,当背压超过3 MPa时,两种团簇的实验值都明显高于理论值。实验发现,特定喷嘴在相同的背压下,常温(298 K)甲烷团簇尺寸小于低温(80 K)氘团簇尺寸,而甲烷团簇中氢原子数至少是氘团簇中氘原子数的1.98倍。     

中性和带电小钨团簇的第一性原理研究

采用基于密度泛函理论的第一性原理方法,计算了中性和带电小钨团簇W_n（n＝3—6）的构型,得到了一些能量较低的结构,它们都有可能是团簇的基态.研究发现,这些团簇大多具有较低的自旋多重度：中性小钨团簇为自旋单态或三重态;带电小钨团簇为自旋双重态或四重态.当n>3时,小钨团簇具有三维立体结构.通过拟合光电子谱、计算垂直离化能并与实验值比较,进一步讨论了带负电小钨团簇的基态结构. 关键词： 小钨团簇 构型 密度泛函理论     

H+4团簇离子和它的中性团簇产物H3

报道了关于H+4团簇的实验研究结果,从H+4的分解能谱发现可能存在H3团簇.分析讨论了H+4的形成方式和可能的分解途径.     

氮原子、分子与团簇离子注入Si(111)的特性研究

用椭偏仪、傅氏变换红外吸收谱(FTIR)、X射线光电子能谱(XPS)以及原子力显微镜(AFM)对N⁺₁,N⁺₂,N⁺₁₀离子高剂量(1.7×10¹⁷ions/cm²)注入Si(111)的表面进行测试分析,发现三种不同尺度的离子注入后,均使Si由复折射率变化为实折射率,表面出现含氮硅键的介质层.但其表面形貌各异:N^{+关键词： 氮团簇注入 表面特性}     

H+5团簇离子及其中性团簇产物H3和H4

报道了H+5的实验结果.分析讨论了H+5的形成和分解途径.根据理论分析,以稳定的H+3为核心与一个或多个氢分子结合可能形成稳定的H+n氢团簇离子.另一方面,在高频离子源中, 有发生H+3与H2反应的条件.实验中,从高频离子源引出的离子束被静电加速器加速,然后用90°磁分析器选择质量数为5的离子,再将这些离子偏转20°,最后在20°方向测量它们的能谱.从能谱发现,在高频离子源中可能通过H+3与H2的离子-分子反应形成了H+5团簇离子;并且在H+5的分解产物中还发现可能存在H3和H4等中性团簇产物.     

New approaches to stored cluster ions

Ion traps are wall-less containers which allow the extended storage of selected species. During the storage various interaction steps may be repeatedly applied. To this end no further hardware has to be added - in contrast to beam experiments. In this progress report two examples of recent developments are presented: the experiments have been performed with metal clusters stored in a Penning (ion cyclotron resonance) trap. A new experimental scheme has been developed which allows precision measurements of the dissociation energies of polyatomic species. It has been triggered by investigations on the delayed photodissociation of stored metal clusters. However, the technique is also readily available for application to a broad variety of different species and it is not even restricted to trapping experiments. The second development is more closely connected with ion storage in Penning traps: by application of an electron bath singly charged anionic clusters can be converted into multiply charged species. Subsequently, they are charge selected and investigated with respect to their reaction upon excitation. In particular, preliminary results indicate that dianionic metal clusters emit two electrons upon photoexcitation whereas the singly charged species show dissociation.     

Energetics and dynamics of decaying cluster ions

The recent addition of (i) a third sector field to our two sector field mass spectrometer (resulting in a BE1E2 field configuration) and of (ii) a high performance electron gun enables us now to study in detail the time dependence of the kinetic energy release distribution (KERD) over a relatively wide range of cluster ion lifetimes. Using this newly constructed device we have studied here for the first time KERDs and deduced binding energies BEs (using finite heat bath theory) of large rare gas cluster ions (an upper size limit in earlier studies arose from the fact that different naturally occurring isotopes will contribute to a chosen metastable peak when the size exceeds a certain value) and in addition of fullerene ions smaller and larger than (here again contaminating coincidences did not allow such studies earlier). Moreover, high precision KERD measurements for the decay of rare gas dimer ions in conjunction with model calculations (using recently calculated potential energy curves for the rare gas dimer ions) also enable us to obtain information on the dynamics and the mechanisms of the underlying spontaneous decay reactions . In addition, we are also reporting here a novel method (unified breakdown graph method) to determine cluster ion binding energies using a recently constructed tandem mass spectrometer BESTOF allowing us to measure fragmentation patterns arising from the unimolecular decay of molecular cluster ions induced by surface collisions. The fragmentation and reaction patterns of protonated ethanol cluster ions investigated here clearly demonstrate in contrast to some of the earlier cluster ion studies that unimolecular dissociation kinetics determines the formation of product ions in the surface-induced decomposition.     

Charge transfer between alkali cluster ions and atoms in the 1 to 10 keV collisional energy range

The cross-sections for collisional charge transfer between singly charged free clusters M _n ⁺ (M = Li, Na; n=1...50) and atomic targets A (cesium, potassium) have been measured as a function of collisional relative velocity in laboratory energy range 1–10 keV. For each cluster size, the experimental values of the charge transfer cross-section are fitted with an universal parametric curve with two independent parameters and v_m, the maximum cross-section and the corresponding velocity. For small size clusters (), the characteristic parameters show strong variations with the number of atoms in the cluster. Abrupt dips observed for n=10 and n=22 are attributed to electronic properties. Charge transfer patterns observed for various collisional systems present similarities, which appear more sensitive to cluster quantum size effects than to collision energy defects. In their whole, the and v_m parameters show differences in both their size evolution and their absolute values discussed in term of projectile and target electronic structures. Received 13 April 2000 and Received in final form 29 June 2000     

Photodissociation dynamics of Cl in a xenon cluster

The photodissociation of a chlorine molecule in the environment of a xenon cluster has been studied experimentally using the real time pump and probe technique through the formation of an XeCl reaction product. The photodissociating system is probed in such a way that the movement of a single chlorine atom in the xenon environment is detected. Various Xe_nCl₂ cluster sizes have been investigated leading to the distinction between uncapped, half-capped and doubly capped structures for these clusters. These structures have a profound influence on the photodissociation dynamics. Retrapping of one chlorine atomic fragment and stabilization of the XeCl reaction product is only observed for the half and doubly capped clusters. The experimental work is complemented by classical molecular dynamics calculations to get a full picture of the photodissociation. Received: 17 February 1998 / Received in final form and Accepted: 28 July 1998     

Fragmentation of plasma resonances in open-shell silver cluster ions

Summary We study the fragmentation of the dipole collective states in silver cluster ions by looking at the coupling with surface oscillations and deformations of a dropletlike structure. This coupling is found to be crucial in order to reproduce the experimental photoabsorption data in open-shell clusters.     

Kinetic electron emission due to perpendicular impact of carbon ions on tungsten surfaces

Total electron yields for perpendicular impact of C⁺ ions on W have been measured for projectile energies from 0.2 keV to 7 keV. The data are compared with the data of C⁺ bombardment of gold and graphite in order to demonstrate general trends in kinetic electron yields at low projectile velocities. The total electron yields in the studied combinations of projectiles and substrates show a similar exponential dependence Γ ∝ (v/A) exp(−A/v), where A is a constant and v is the projectile velocity.     

Photoinduced dissociation reactions of silver fluoride cluster ions

Photoinduced dissociation in the ultraviolet region has been investigated for Ag _nF _n-1 ⁺ cluster ions. Photodissociation spectrum of Ag₂F⁺ in the energy of 3.8–5.6 eV exhibits several sharp bands corresponding to the transition to electronically excited states. In this dissociation, only the Ag₂ ⁺ ion was observed as a fragment ion. Theoretical calculation indicates that the parent Ag₂F⁺ ion has a linear Ag-F-Ag equilibrium geometries in the ground and excited states. Since conformational changes by excitation of bending vibration are necessary for the fragmentation of an F atom, this indicates that production of Ag₂ ⁺ from Ag₂F⁺ is a result of internal conversion and following conformational changes.     

Hydrogen dissociation on high-temperature tungsten

H₂ dissociation on polycrystalline tungsten is measured from 1700 to 3000 K using the filament temperature (T) change and a normalized H-atom density at the chamber surface. The dissociation probability per H₂ filament collision (P_diss) saturates at 0.40 at high T and has a 2.25 ± 0.05 eV apparent activation energy when P_diss ? 1. This activation energy is consistent with prior data and models, but the H₂ pressure dependence is not. P_diss is independent of the H₂ pressure for this entire T range and the 1-85 mTorr pressure range studied, contradicting the primary model that has been used to explain H₂ dissociation on tungsten and other metals. We show that some apparently contradictory prior measurements are actually consistent with our observations and with each other, once this pressure dependence of P_diss is recognized.     

Structure and stability of a silicon cluster on sequential doping with carbon atoms

SiC is a highly stable material in bulk. On the other hand, alloys of silicon and carbon at nanoscale length are interesting from both technological as well fundamental view point and are being currently synthesized by various experimental groups (Truong et. al., 2015 [26]). In the present work, we identify a well-known silicon cluster viz., Si₁₀ and dope it sequentially with carbon atoms. The evolution of electronic structure (spin state and the structural properties) on doping, the charge redistribution and structural properties are analyzed. It is interesting to note that the ground state SiC clusters prefer to be in the lowest spin state. Further, it is seen that carbon atoms are the electron rich centres while silicon atoms are electron deficient in every SiC alloy cluster. The carbon–carbon bond lengths in alloy clusters are equivalent to those seen in fullerene molecules. Interestingly, the carbon atoms tend to aggregate together with silicon atoms surrounding them by donating the charge. As a consequence, very few Si–Si bonds are noted with increasing concentrations of C atoms in a SiC alloy. Physical and chemical stability of doped clusters is studied by carrying out finite temperature behaviour and adsorbing O₂ molecule on Si₉C and Si₈C₂ clusters, respectively.