适用于计算的量子点

美国加利福尼亚大学的研究人员用高温有机金属工艺产生CdSe/ZnS量子点。他们把量子点溶入乙烷,并通过离心铸造法把它们做在一个玻璃滑盖上,从而使量子点以平均1μm的距离分开.他们让一束488nm的氩离子激光通过共焦显微镜上的一块具有大数值孔径的物镜射到滑盖上以便在量子点中产生电子空穴对。由此产生的光致发光由同一块物镜收集,并且通过一个激发光束分裂器和一个全息陷波滤波器,后者的作用是截断散射光。然后。

Structural Dynamics of Phenyl Azide in Light-Absorbing Excited States： Resonance Raman and Quantum Mechanical Calculation Study

The excited state structural dynamics of phenyl absorbing S2（A＇）, S3（A＇）, and S6（A＇） states were troseopy and complete active space self-consistent and the UV absorption bands were assigned on azide （PhN3） after excitation to the light studied using the resonance Raman specfield calculations. The vibrational spectra the basis of the Fourier transform （FT）- Raman, FT-infrared measurements, the density-functional theory computations and the normal mode analysis. The A-, B-, and C-bands resonance Raman spectra in cyclohex- ane, acetonitrile, and methanol solvents were, respectively, obtained at 273.9, 252.7, 245.9, 228.7, 223.1, and 208.8 nm excitation wavelengths to probe the corresponding structural dynamics of PhN3. The results indicated that the structural dynamics in the S2 （A＇）, S3（A＇）, and S6（A＇） states were significantly different. The crossing points of the potential energy surfaces, S2S1（1） and S2S1（2）, were predicted to play a key role in the low-lying excited state decay dynamics, in accordance with Kasha＇s rule, and NT=N8 dissociation. Two decay channels initiated from the Franck-Condon region of the S2（A＇） state were predicted： the radiative S2,min→S0 radiative decay and the S2→S1 internal conversion through the crossing points S2S1 （1）/S2S1（2）.

Decay Dynamics of N, N-Dimethylthioacetamide in S3（ππ＊） State

The decay dynamics of N, N-dimethylthioacetamide after excitation to the S3（ππ＊） state was studied by using the resonance Raman spectroscopy and complete active space self- consistent field method calculations. The UV-absorption and vibrational spectra were as- signed. The A-band resonance Raman spectra were obtained in acetonitrile, methanol and water with the laser excitation wavelengths in resonance with the first intense absorption band to probe the Franck-Condon region structural dynamics. The CASSCF calculations were carried out to determine the excitation energies and optimized structures of the lower- lying singlet states and conical intersection point. The A-band structural dynamics and the corresponding decay mechanism were obtained by the analysis of the resonance Raman in- tensity pattern and the CASSCF calculated structural parameters. The major decay channel of S3,FC （ππ＊）→S3（ππ＊）/S1 （nπ＊）→S1（nπ＊） is proposed.

Simulation of Maximum Power Point Tracking for Photovoltaic Systems

A PV （photovoltaic） solar panels exhibit non-linear current--voltage characteristics, and according to the MPT （maximum power transform） theory, it can produce maximum power at only one particular OP （operating point）; namely, when the source impedance matches with the load impedance, a match which cannot be guaranteed spontaneously. Furthermore, the MPP （maximum power point） changes with temperature and light intensity variations. Therefore, different algorithms have been developed for finding MPPT （maximum power point tracking） based on offline and online methods. Evaluating the performance of these algorithms for various PV systems operating under highly dynamic environments are essentials to ensure producing reliable, efficient, cost-effective and high performance systems. One possible approach for system evaluation is to use computer simulation. This paper addresses the use of Matlab software as a simulation tool for evaluating the performance of PV solar systems and finding the MPPT.

A reduced combustion kinetic model for the methanol-gasoline blended fuels on SI engines.

A reduced combustion kinetic model for the methanol-gasoline blended fuels for SI engines was developed. Sensitivity analysis and rate constant variation methods were used to optimize the kinetic model. Flame propagation, shock-tube and jet-stirred reactor systems were modeled in CHEMKIN. The laminar flame speed, ignition delay time and change in concentrations of species were simulated using the reduced kinetic model. The simulation results of reduced chemical mechanism agreed well with the relevant experimental data published in the literature. The experimental investigations on engine bench were also carried out. The in-cylinder pressure and exhaust emissions were obtained by using a combustion analyzer and an FTIR(Fourier transform infrared spectroscopy) spectrometer. Meanwhile, an engine in-cylinder CFD model was established in AVL FIRE and was coupled with the proposed reduced chemical mechanism to simulate the combustion process of methanol-gasoline blends. The simulated combustion process showed good agreement with the engine experimental results and the predicted emissions were found to be in accordance with the FTIR results.

Absorption Spectra and Refractive Index Changes of an Exciton in a Core/Shell Quantum Dot

The absorption spectra and the refractive index changes are calculated theoretically for an exeiton in a core/shell quantum dot. The advantage of our methodology is that one can investigate the influence of the repulsive core by varying two parameters in the confinement potential. The dimensionality effect of exciton quantum dots on the optical absorptions has been studied. It has been found that in the same regime, the optical absorption intensities of excitons axe much smaller for the core/shell quantum dots than for the two-dimensional quantum rings. The linear and the nonlinear optical absorption coefficients and refractive index changes have been examined with the change of the confinement potential. The results show that the optical absorptions and the refractive index changes are strongly affected by the repulsive core of core/shell quantum dots. Moreover, the calculated results also reveal that as the inner radius increases, the peak values of the absorption coefficients and the refractive index changes of an exciton will show the optical Aharonov-Bohm oscillation in core/shell quantum dots.