Macroscopic quantum coherence in a single molecular magnet and Kondo effect of electron transport

We report a Kondo-effect study of electron transport through a quantum dot with embedded biaxial single-molecule magnet based on slave boson mean-field theory and non-equilibrium Green-function technique. It is found the macroscopic quantum coherence of molecule-magnet results in the Kondo peak split of differential conductance due to interaction between electron and molecular magnet. It is also demonstrated that both the peak height and position can be controlled by the sweeping magnetic field and polarization of ferromagnetic electrodes. The characteristic peak split may be used to identify the macroscopic quantum coherence and develop molecule devices.     

A theoretical study of thiophenic compounds adsorption on cation-exchanged Y zeolites

A density functional theory (DFT) method has been applied to study the adsorption of thiophenic compounds such as thiophene (TP), benzothiophene (BT), dibenzothiophene (DBT) on cation-exchanged Cu(I)Y, Ni(II)Y, Ce(III)Y zeolites. All of calculations were carried out by the generalized gradient approximation (GGA) with the BLYP exchange-correlation functional and DNP basis set. The calculated results indicate that the stable adsorption configuration of TP molecule adsorbed on the Cu(I)Y is the η5 adsorption mode, whereas for BT and DBT, the η1S adsorption mode was found for the both molecules. Only the η1S adsorption mode can be obtained for the three thiophenic compounds adsorbed on the Ni(II)Y. The η5 adsorption mode can be ascribed to the adsorption of thiophene molecules on the Ce(III)Y, but the competition of different adsorption modes could possibly occur during the adsorption process of BT and DBT on the Ce(III)Y. Moreover, the selectivity of TP adsorbed on the adsorbents is in the order of Cu(I)Y > Ce(III)Y > Ni(II)Y, while for BT and DBT, the order is Cu(I)Y > Ni(II)Y > Ce(III)Y.     

First-principle study on the effect of high Li-2N co-doping on the conductivity of ZnO

Based on the density functional theory (DFT), using first-principles plane-wave ultrasoft pseudopotential method, the models of the unit cell of pure ZnO and two highly Li-2N co-doped supercells of Zn_0.9375Li_0.0625O_0.875N_0.125 and Zn_0.9167Li_0.0833O_0.8333N_0.1667 were constructed, and the geometry optimization for the three models was carried out. The total density of states (TDOS) and the band structures (BS) were also calculated. The calculation results showed that in the range of high doping concentration, when the co-doping concentration is more than a certain value, the conductivity decreased with the increase of co-doping concentration of Li-2N in ZnO, which agrees with the change trend of the experimental results.     

Hyperchaos generated from the Lorenz chaotic system and its control

In this Letter, a hyperchaotic Lorenz system is constructed via state feedback control. Abundant dynamics of the hyperchaotic system is studied using the Lyapunov exponents, Poincaré section and bifurcation diagram. Furthermore, effective linear feedback controllers are designed for stabilizing hyperchaos to unstable equilibrium, periodic orbits and quasi-periodic orbit. Numerical simulations are given to illustrate and verify the results.     

PEMFC气体扩散层干燥过程孔隙网络模拟

本文采用三维孔隙网络模型从孔隙尺度上对质子交换膜燃料电池气体扩散层中水分蒸发的干燥过程进行了模拟,并考虑了阴极流道的影响.计算结果表明毛细力在气体扩散层的干燥过程中起主要作用,气相从阴极流道底部开始,以沿气体扩散层厚度方向侵入为先,直到到达气体扩散层底部,随后气相才向流道肩部水平延伸侵入.蒸发速率随气体扩散层中水饱和度...     

A simple scheme for probehead background suppression in one-pulse 1H NMR

A very simple method for reducing probehead background signal in one-pulse 1H nuclear magnetic resonance (NMR) spectra is presented. Two one-pulse spectra are recorded, the first with pulse length tp1, the second with an L-times longer pulse, e.g. with L = 2. The second spectrum scaled by 1/L is subtracted from the first. Since the weak pulses experienced by spins outside the coil are in the linear regime, the background from outside the coil is effectively subtracted out. The background suppression efficiency is approximately 1.5b2, where b is the ratio of the B1 field inside the coil relative to that outside the coil. Experimentally, background suppression by at least a factor of 10 was achieved. Examples of background suppression in 1H wideline as well as 1H fast magic-angle spinning (MAS) one-pulse spectra of clay and polymer samples are shown.     

The Measurement of Ultrashort Light Pulses—Simple Devices,Complex Pulses

We review the state of the art of ultrashort-light-pulse measurement using frequency-resolved-optical-gating (FROG). Recent developments have extended the state of the art considerably. FROG devices for measuring the intensity and phase of ultrashort laser pulses have become so simple that almost no alignment is required. In addition, such devices not only operate single shot, but they also yield the two most important spatio-temporal distortions, spatial chirp and pulse-front tilt. With other FROG variations, it is now possible to measure more general ultrashort light pulses (i.e., pulses much more complex than common laser pulses), with time-bandwidth products as large as several thousand and as weak as a few hundred photons, and despite other difficulties such as random absolute phase and poor spatial coherence.     

Immobilization of bovine serum albumin on TiO2 film via chemisorption of H3PO4 interface and effects on platelets adhesion

In the present study, bovine serum albumin (BSA) was successfully covalently immobilized on the surface of anatase TiO₂ film by a three-step method, i.e. application of H₃PO₄ chemisorption to increase surface -OH, which increases the amount of coupling 3-aminopropyl-triethoxylsilane (APTES), thus linking with BSA by imide bond using EDC/NHS/MES. There is no significant -OH group increase on rutile film when using the same method of phosphoric acid treatment, which suggest it is difficult for further chemical modification of the rutile film. After covalent immobilization of BSA on anatase film, an improved hemocompatibility of anti-platelet adhesion and aggregation in vitro could be recognized by LDH and SEM analysis. This study suggests BSA-immobilized anatase surface can serve as hemocompatibility material in vivo.     

Loschmidt echo near a dynamical phase transition in a Bose-Einstein condensate

We show that the quantum Loschmidt echo can be employed to characterize the dynamical phase transition, from a tunnelling phase to a self-trapping phase, of a Bose-Einstein condensate in a double-well potential. The echo is found to have a relatively fast decay in the transition region, with a Gaussian decay in the self-trapping phase and a stretched exponential decay in the tunnelling phase.