Kinetic study for hopping conduction through deoxyribonucleic acid molecules

Recent experiments indicated that disorder effect in deoxyribonucleic acid (DNA) may lead to a transition of the electronic hole transport mechanism from band resonant tunneling to thermally activated hopping. In this letter, based on Mott's variable-range hopping theory, we present a kinetic study for the hole transport properties of DNA molecules. Beyond the conventional argument in large-scale systems, our numerical study for finite-size DNA molecules reveals a number of unique features for: (i) the current-voltage characteristics, (ii) the temperature and length dependence, and (iii) the transition from conducting to insulating behaviors. (c) 2005 American Institute of Physics.

Kinetic Monte Carlo simulation of spatially ordered growth of quantum dots on patterned substrate

We report the growth of well-ordered InAs QD chains by molecular beam epitaxy system. In order to analyze and extend the results of our experiment, a detailed kinetic Monte Carlo simulation is developed to investigate the effects of different growth conditions to the selective growth of InAs quantum dots (QDs). We find that growth temperature plays a more important role than growth rate in the spatial ordering of the QDs. We also investigate the effect of periodic stress on the shape of QDs in simulation. The simulation results are in good qualitative agreement with our experiment. (c) 2006 Elsevier Ltd. All rights reserved.

Kinetic modeling of N incorporation in GaInNAs growth by plasma-assisted molecular-beam epitaxy

We have studied the growth of GaInNAs by a plasma-assisted molecular-beam epitaxy (MBE). It was found that the N-radicals were incorporated into the epitaxial layer like dopant atoms. In the range of 400-500 degrees C, the growth temperature (T-g) mainly affected the crystal quality of GaInNAs rather than the N concentration. The N concentration dropped rapidly when T-g exceeded 500 degrees C. Considering N desorption alone is insufficient to account for the strong falloff of the N concentration with T-g over 500 degrees C, the effect of thermally-activated N surface segregation must be taken into account. The N concentration was independent of the arsenic pressure and the In concentration in GaInNAs layers, but inversely proportional to the growth rate. Based on the experimental results, a kinetic model including N desorption and surface segregation was developed to analyze quantitatively the N incorporation in MBE growth. (C) 2000 American Institute of Physics. [S0003-6951(00)00928-1].

Kinetic study of MOCVD III-V quaternary antimonides

The kinetics of MOCVD GaInAsSb and AlGaAsSb was studied by the growth rate as a function of growth temperature and partial pressure of III and V MO species. The diffusion theory was used to explain the mass transport processes in MOCVD III-V quaternary antimonides. On the basis of the discussion about their growth kinetics and epilayer properties, the good quality multi-epilayers of these two quaternary antimonides and their photodetectors and arrays with wavelength of 1.8 similar to 2.3 mu m and detectivities of D* > 10(9) cm Hz(1/2) W-1 were obtained.

Kinetic Monte Carlo simulation of semiconductor quantum dot growth

Performing an event-based continuous kinetic Monte Carlo (KMC) simulation, We investigate the growth conditions which are important to form semiconductor quantum dot (QD) in molecular beam epitaxy (MBE) system. The simulation results provide a detailed characterization of the atomic kinetic effects. The KMC simulation is also used to explore the effects of periodic strain to the epitaxy growth of QD. The simulation results are in well qualitative agreement with experiments.

Kinetic study of hydrolysis of xylan and agricultural wastes with hot liquid water

We investigated the kinetics of hot liquid water (HLW) hydrolysis over a 60-min period using a self-designed setup. The reaction was performed within the range 160-220 °C, under reaction conditions of 4.0 MPa, a 1:20 solid:liquid ratio (g/mL), at 500 rpm stirring speed. Xylan was chosen as a model compound for hemicelluloses, and two kinds of agricultural wastes-rice straw and palm shell-were used as typical feedstocks representative of herbaceous and woody biomasses, respectively. The hydrolysis reactions for the three kinds of materials followed a first-order sequential kinetic model, and the hydrolysis activation energies were 65.58 kJ/mol for xylan, 68.76 kJ/mol for rice straw, and 95.19 kJ/mol for palm shell. The activation energies of sugar degradation were 147.21 kJ/mol for xylan, 47.08 kJ/mol for rice straw and 79.74 kJ/mol for palm shell. These differences may be due to differences in the composition and construction of the three kinds of materials. In order to reduce the decomposition of sugars, the hydrolysis time of biomasses such as rice straw and palm shell should be strictly controlled.

Kinetic Model Study on Enzymatic Hydrolysis of Cellulose Using Artificial Neural Networks

Enzymatic hydrolysis of cellulose was highly complex because of the unclear enzymatic mechanism and many factors that affect the heterogeneous system. Therefore, it is difficult to build a theoretical model to study cellulose hydrolysis by cellulase. Artificial neural network (ANN) was used to simulate and predict this enzymatic reaction and compared with the response surface model (RSM). The independent variables were cellulase amount X-1, substrate concentration X-2, and reaction time X-3, and the response variables were reducing sugar concentration Y-1 and transformation rate of the raw material Y-2. The experimental results showed that ANN was much more suitable for studying the kinetics of the enzymatic hydrolysis than RSM. During the simulation process, relative errors produced by the ANN model were apparently smaller than that by RSM except one and the central experimental points. During the prediction process, values produced by the ANN model were much closer to the experimental values than that produced by RSM. These showed that ANN is a persuasive tool that can be used for studying the kinetics of cellulose hydrolysis catalyzed by cellulase.

Kinetic spectra of light-adaptation dark-adaptation and M-intermediate of BR-D96N

BR-D96N is a kind of genetically site-specific mutants of bacteriorhodopsin (BR) with obvious photochromic effect. Compared to the wild type BR, the lifetime of M state of BR-D96N is prolonged to several minutes so that the photochromic kinetics and the intermediates formation can be studied by the conventional spectra analysis. In the experiment, the absorption spectra of the sample at different time after light illumination are measured with spectrophotometer. By fitting and analyzing the variation of the spectra, we suppose that there are three main states in the, photochromic process, i.e., B state (light-adapted state), M state and D state (dark-adapted state). The absorption spectra of the B state, M state and D state are extracted from the experimental data based on this three-state model and the spectra at various time are fitted with the least-square method. So, the variations of population percentages of the M state, B state and D state are obtained and the M state and B state lifetimes are estimated. In another way, from the measurement of the absorption dynamics at 407 and 568 nm, the M state and B state lifetimes are also obtained by two exponential data fitting, which give coincident results with those of the spectra analysis. (C) 2003 Elsevier Science B.V. All rights reserved.

A kinetic model for nanocrystal morphology evolution

A kinetic model is developed with the goal of understanding and predicting the morphology evolution of nonocrystals in nonequilibrium growth conditions. The model is based on the assumption that under such conditions, different crystal planes have different kinetic parameters. This model focuses on the morphology-developing stage and is successfully related to the nucleation process and other crystal evolution mechanisms. It is believed to be a universal model and is applied to discuss the morphology evolution of CdSe nanocrystals, including the aspect ratio, injection I schemes, ligands effect and morphology distribution.

Photochromic kinetic spectra and intermediates of BR-D96N

BR-D96N is a kind of genetically site-specific mutant of bacteriorhodopsin (BR) with obvious photochromic effect. Compared to the wild type BR, the lifetime of M state of BR-D96N is prolonged to several minutes so that the photochromic kinetics and the intermediates formation can be studied by the conventional spectra analysis. In the experiment, the absorption spectra of the sample at different time after light illumination are measured with spectrophotometer. By fitting and analyzing the variation of the spectra, we suppose there-are three main states in the photochromic process, i.e. B state (light-adapted state), M state and D state (dark-adapted state). The absorption spectra of the B state, M state and D state are extracted from the experimental data based on this three-state model and the spectra at various time are fitted With the least square method. So, the variations of population percentages of the M state, B state and D state are obtained and the M state and B state lifetimes are estimated. In another,way, from measuring the absorption dynamics at 407 nm and 568 nm, the M state and B state lifetimes are also obtained by two exponential data fitting, which give coincident results with those of the spectra analysis.

Kinetic characterization of photoinduced anisotropy in diarylethene film

Based on the theoretical model we have proposed, a complete study on the kinetics of photoincluced anisotropy in diarylethene films is performed. The kinetic curves of molecular concentration, photoincluced dichroism and birefringence are calculated, respectively. It is found that the colored molecular concentration decreases with the increase of the excitation exposure until saturation, and the photoincluced anisotropy increases to a maximum and then decreases gradually. The optimal exposure is 260 J/cm(2). In addition, the transmittance of probe beam reflecting the anisotropy is measured by experiment. The theoretical results are compared with experimental data, and basic concordance is found between both sets of data. (C) 2008 Elsevier B.V. All rights reserved.