Alkali halide clusters produced by fast ion impact.
نویسندگان
چکیده
The most abundant geometries and relative stabilities of alkali halide clusters with a (XY)(n) (o) configuration (e.g., LiF, NaCl, KBr) are described. Five main series were obtained: linear, cyclic, cubic, arc strips and nanotubes. The stability analysis shows that higher members are likely to be formed from the lower member of the same series and/or from two building blocks (n = 1, 2). The energy analysis (D-plot) indicates that the most compact ones (e.g., cubic and nanotubes) present higher stability when compared to the linear, cyclic and arc strip structures; moreover, relative stability between the cubic and nanotube series varies with the cluster size.
منابع مشابه
Crossed Molecular Beam Study of Collision-induced Dissociation of Alkali Halides*
Recent studies by Berry et al. [1,2] of collisional dissociation of alkali halides by shockheated argon have shown that, in vibrationallyequilibrated gases, some alkali halides (all cesium, rubidium and potassium salts except RbI and KI) dissociate completely to ion pairs, although dissociation to neutral atoms requires less energy. An e_xpression for the branching ratio for the different disso...
متن کاملReactions in clusters
A new class of cluster-catalyzed reactions is proposed and investigated using extensive molecular-dynamics simulations. These reactions involve the collision between reactants which are embedded in inert gas clusters, whose role is that of a local heat bath (i.e., extended third body). The concept is demonstrated for the reactions [ Na, Cl, ] + Ar, + Cl (for q = 12 and 32) and [ Na,,Cl,, ] + ‘A...
متن کاملIon Formation from Alkali Halide Solids by High Power Pulsed Laser Irradiation *
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
متن کاملThe i-TTM model for ab initio-based ion-water interaction potentials. II. Alkali metal ion-water potential energy functions.
A new set of i-TTM potential energy functions describing the interactions between alkali metal ions and water molecules is reported. Following our previous study on halide ion-water interactions [J. Phys. Chem. B, 2016, 120, 1822], the new i-TTM potentials are derived from fits to CCSD(T) reference energies and, by construction, are compatible with the MB-pol many-body potential, which has been...
متن کاملAxle component separated ion-pair recognition by a neutral heteroditopic [2]rotaxane.
A neutral heteroditopic pyridine N-oxide axle containing [2]rotaxane, synthesised via sodium cation templation, displays cooperative recognition of alkali metal cation-halide anion ion-pairs in an unprecedented axle component separated ion-pair binding fashion.
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms
دوره 273 شماره
صفحات -
تاریخ انتشار 2012