Adsorption and dissociation of O2 on the Cu2O(1 1 1) surface: Thermochemistry, reaction barrier

The adsorption and dissociation of O₂ on the perfect and oxygen-deficient Cu₂O(1 1 1) surface have been systematically studied using periodic density functional calculations. Different kinds of possible modes of atomic O and molecular O₂ adsorbed on the Cu₂O(1 1 1) surface are identified: atomic O is found to prefer threefold 3Cu site on the perfect surface and O_vacancy site on the deficient surface, respectively. Cu_CUS is the most advantageous site with molecularly adsorbed O₂ lying flatly over singly coordinate Cu_CUS-Cu_CSA bridge on the perfect surface. O₂ adsorbed dissociatively on the deficient surface, which is the main dissociation pathway of O₂, and a small quantity of molecularly adsorbed O₂ has been obtained. Further, possible dissociation pathways of molecularly adsorbed O₂ on the Cu₂O(1 1 1) surface are explored, the reaction energies and relevant barriers show that a small quantity of molecularly adsorbed O₂ dissociation into two O atoms on the deficient surface is favorable both thermodynamically and kinetically in comparison with the dissociation of O₂ on the perfect surface. The calculated results suggest that the presence of oxygen vacancy exhibits a strong chemical reactivity towards the dissociation of O₂ and can obviously improve the catalytic activity of Cu₂O, which is in agreement with the experimental observation.     

CH4 dissociation on NiCo (1 1 1) surface: A first-principles study

A density-functional theory method has been conducted to investigate the adsorption of CH_x (x = 0-4) as well as the dissociation of CH_x (x = 1-4) on (1 1 1) facets of ordered NiCo alloy. The results have been compared with those obtained on pure Ni (1 1 1) surface. It shows that the adsorption energies of C and CH are decreased while it is increased for CH₃ on NiCo (1 1 1) compared to those on pure Ni (1 1 1). Furthermore, on NiCo (1 1 1), dissociation of CH_x prefers not to the top of Ni, but to the top of Co. The rate-determining step for CH₄ dissociation is considered as the first step of dehydrogenation on NiCo (1 1 1), while it is the fourth step of dehydrogenation on Ni (1 1 1). Furthermore, the activation barrier in rate-determining step is slightly higher by 0.07 eV on Ni (1 1 1) than that on NiCo (1 1 1). From above results, it is important to point out that carbon is easy to form on NiCo (1 1 1) although the adsorption energy of C atom is slightly decreased compared to that on Ni (1 1 1).     

Optical spin-dependent angular shift in structured metamaterials

The physics behind the spin (polarization)-dependent electromagnetic hot-spot phenomenon is due to the presence of the geometric phase resulting from the optical spin-orbit interaction in the interaction of light with the subwavelength microstructures. Unlike the tiny spin-dependent shift of light associated with the usual spin-Hall effect of light, here we present the distinct polarization-dependent angular shift by employing an array of subwavelength metallic apertures. More importantly, this novel electromagnetic precession is accompanied by the extraordinary optical transmission phenomenon and offers the exciting possibilities for novel applications for subwavelength structured metallic systems.     

InN thin film lattice dynamics by grazing incidence inelastic x-ray scattering

Achieving comprehensive information on thin film lattice dynamics so far has eluded well established spectroscopic techniques. We demonstrate here the novel application of grazing incidence inelastic x-ray scattering combined with ab initio calculations to determine the complete elastic stiffness tensor, the acoustic and low-energy optic phonon dispersion relations of thin wurtzite indium nitride films. Indium nitride is an especially relevant example, due to the technological interest for optoelectronic and solar cell applications in combination with other group III nitrides.     

A control-theoretic approach to the plasma confinement problem

The problem of confining a collisionless plasma by means of external electromagnetic fields is formulated as an optimal control or variational problem. The paper begins with a formal development of the equations governing the plasma motion. Then, various mathematical formulations of the confinement problem are discussed. Specific results are obtained for the simplified case where confinement is achieved by means of a spatially uniform, time-varying magnetic field. Physical interpretations of these results are also given.This work was supported by the Office of Scientific Research of the United States Air Force under Grant No. AFOSR-68-1547.     

可用于钕玻璃激光系统的自锁模飞秒激光器

描述了用激光二极管抽运的全固体Ｎｄ：ＬＭＡ自锁模飞秒激光振荡器,通过理论计算和分析,在其腔内加入－非线性系数较大的介质,同时对腔结构进行优化设计,实现了自锁模。它直接产生波长为１０５４ｎｍ的激光,输出激光脉冲的宽度达６１０ｆｓ,光谱宽度为２．１ｎｍ,输出功率达１５ｍＷ。     

半无限规划与方向导数

本文对半无限凸规划提出一个用方向导数表述的对偶问题，其对偶间隙为零．     

Investigating S-wave bound states composed of two pseudoscalar mesons

In this study, we systematically investigated two-pseudoscalar meson systems with the Bethe-Salpeter equation in the ladder and instantaneous approximations. By solving the Bethe-Salpeter equation numerically with the kernel containing the one-particle exchange diagrams, we found that the \begin{document}$ K\bar{K} $\end{document}, \begin{document}$ DK $\end{document}, \begin{document}$ B\bar{K} $\end{document}, \begin{document}$ D\bar{D} $\end{document}, \begin{document}$ B\bar{B} $\end{document}, \begin{document}$ BD $\end{document}, \begin{document}$ D\bar{K} $\end{document}, \begin{document}$ BK $\end{document}, and \begin{document}$ B\bar{D} $\end{document} systems with \begin{document}$ I=0 $\end{document} can exist as bound states. We also studied the contributions from heavy meson (\begin{document}$ J/\psi $\end{document} and \begin{document}$\Upsilon $\end{document}) exchanges and found that the contributions from heavy meson exchanges cannot be ignored.