He9^＋,He13^＋结构与原子化能量的拓扑指数预报

本文利用拓扑指数－Ｒａｎｄｉｃ指数对Ｈｅｎ＋（２≤ｎ≤７）的结构与原子化能量进行了相关分析，从而得到相关方程在这基础上预报了Ｈｅ９＋体心立方结构和Ｈｅ１３＋正二十面体中心结构的原子化能量，并对结果进行了讨论．

Atomic Design of Polarity of GaN Films Grown on SIC（0001）

Ab initio total energy calculations are used to determine the interface structure of GaN films grown on 6H-SiC(0001)with different substrate reconstructions.The results indicate that GaN films grown on bare SiC(0001)are of the Ga-polarity,while GaN films grown on SiC(0001)with Si adlayer are of the N-polarity if there is no N-Si interchange at the interface.With the interchange,the GaN films are of the Ga-polarity.

A New View of Extended Capabilities of the COREP Code

The COREP （CORE Power） code has been developed by the Reactor Physics Department of the Jozef Stefan Institute for the nuclear design calculations of the PWR （Pressurized Water Reactor） cores. The code and applied methods have been developed and tested only for the determination of the pin power in the reactor core. Recent development of the three dimensional visualization capabilities at the author＇s department enables fine mesh neutron flux and power distribution presentation in the whole reactor region. The COREP code has been supplemented with additional option to enable generation of fme mesh neutron flux data in the core and reflector domain. Accuracy of the generated fine mesh results has been determined for the 2-D IAEA and typical NPP Krsko case.

Black phosphorus quantum dot/g-C_3N_4 composites for enhanced CO_2 photoreduction to CO

The development of low cost, metal free semiconductor photocatalysts for CO2 reduction to fuels and valuable chemical feedstocks is a practically imperative for reducing anthropogenic CO2 emissions. In this work, black phosphorus quantum dots（BPQDs） were successfully dispersed on a graphitic carbon nitride（g-C3N4） support via a simple electrostatic attraction approach, and the activities of BP@g-C3N4 composites were evaluated for photocatalytic CO2 reduction. The BP@g-C3N4 composites displayed improved carrier separation efficiency and higher activities for photocatalytic CO2 reduction to CO（6.54 μmol g^-1h^-1 at the optimum BPQDs loading of 1 wt%） compared with pure g-C3N4（2.65 μmol g^-1h^-1）. This work thus identifies a novel approach towards metal free photocatalysts for CO2 photoreduction.

A model for thermal annealing on forming In—N clusters in InGaNP

We develop a model for the effect of thermal annealing on forming In--N dusters in GalnNP according to thermodynamics. The average energy variation for forming an In--N bond in the model is estimated according to the theoretical calculation. Using the model, the added number of In--N bonds per mol of InGaNP, the added number of nearest-neighbor In atoms per N atom and the average number of nearest-neighbor In atoms per N atom after annealing are calculated. The different function of In--N clusters in InGaNP and InGaN is also discussed, which is due to the different environments around the In--N clusters.

E-beam-induced in situ structural transformation in one-dimensional nanomaterials

Electron beam （e-beam） irradiation is an inev- itable, but crucial issue for electron microscopy. Our investigation results show the e-beam-induced in situ structural transformations in silicon （Si） nanowires and zinc oxide （ZnO） nanowires （NWs）, respectively. Crystal to amorphous structure transition was revealed in Si NWs utilizing high resolution electron microscopy and electron energy loss spectroscopy. Reconstruction at the （1010） surface of ZnO NWs was also observed in the transmission electron microscope （TEM） using aberration-corrected electron microscopy. These e-beam-induced in situ struc- tural transformations prove that the electron beam irradi- ation effect is able to be used for the local modification of one-dimensional nanomaterials.