Effect of Chemical Doping on the Electronic Transport Properties of Tailoring Graphene Nanoribbons

The electronic transport properties of a molecular junction based on doping tailoring armchair-type graphene nanoribbons（AGNRs）with different widths are investigated by applying the non-equilibrium Green＇s function formalism combined with first-principles density functional theory.The calculated results show that the width and doping play significant roles in the electronic transport properties of the molecular junction.A higher current can be obtained for the molecular junctions with the tailoring AGNRs with W=11.Furthermore,the current of boron-doped tailoring AGNRs with widths W=7 is nearly four times larger than that of the undoped one,which can be potentially useful for the design of high performance electronic devices.

LOCALIZED STUDIES ON ELECTRONIC STRUCTURE AND CHEMICAL BOND FOR [NCCuS_2MoS_2]^(2-) CLUSTER

The canonical and locatized molecutar orbiters of [NCCuS_2NoS_2]^(2-) cluster were calculated by means of CNDO quantum chemistry method. Then the energy and properties of corresponding chemicat bonds were discussed, especially, Cu-Sb-No three center conjugated π bonds and No-St-No conjugated π bonds were accounted for.

QUANTUM CHEMICAL CALCULATIONS ON THE ELECTRONIC STRUCTURE AND SPECTRA OF[Mo_3O_4-nSn]^(4+)(n=O-4)CLUSTER CATIONS

The electronic structure and spectra of [Mo3O4-nSn]^(4+)(n=0-4) cations were calculated by means of INDO/CI quantum chemistry method to account for the experimental data of their spectra in water solutions.

Semi-quantitative study on the Staebler-Wronski effect of hydrogenated amorphous silicon films prepared with HW-ECR-CVD system

The method of numerical simulation is used to fit the relationship between the photoconductivity in films and the illumination time. The generation and process rule of kinds of different charged defect states during illumination are revealed. It is found surprisingly that the initial photoconductivity determines directly the total account of photoconductivity degradation of sample.

Nuclear geyser model of the origin of life:Driving force to promote the synthesis of building blocks of life

We propose the nuclear geyser model to elucidate an optimal site to bear the first life.Our model overcomes the difficulties that previously proposed models have encountered.Nuclear geyser is a geyser driven by a natural nuclear reactor,which was likely common in the Hadean Earth,because of a much higher abundance of 235U as nuclear fuel.The nuclear geyser supplies the following：（1）high-density ionizing radiation to promote chemical chain reactions that even tar can be used for intermediate material to restart chemical reactions,（2）a system to maintain the circulation of material and energy,which includes cyclic environmental conditions（warm/cool,dry/wet,etc.）to enable to produce complex organic compounds,（3）a lower temperature than 100℃ as not to break down macromolecular organic compounds,（4）a locally reductive environment depending on rock types exposed along the geyser wall,and（5）a container to confine and accumulate volatile chemicals.These five factors are the necessary conditions that the birth place of life must satisfy.Only the nuclear geyser can meet all five,in contrast to the previously proposed birth sites,such as tidal flat,submarine hydrothermal vent,and outer space.The nuclear reactor and associated geyser,which maintain the circulations of material and energy with its surrounding environment,are regarded as the nuclear geyser system that enables numerous kinds of chemical reactions to synthesize complex organic compounds,and where the most primitive metabolism could be generated.

Effect of strong magnetic field on chemical potential and electron capture in magnetar

The chemical potential of electrons in a strong magnetic field is investigated. It is shown that the magnetic field has only a slight effect on electron chemical potential when B 〈 10^11 T, but electron chemical potential will decrease greatly when B 〉 10^11 T. The effects of a strong magnetic field on electron capture rates for ^60Fe are discussed, and the result shows that the electron capture sharply decreases because of the strong magnetic field.

Light induced microstructure transformation in a-Si：H films

A series of a-Si：H films are deposited by hot wire assisted microwave electron cyclotron resonant chemical vapour deposition （HW-MWECR-CVD）, subsequently exposed under simulated illumination for three hours. This paper studies the microstructure change during illumination by Fourier Transformation Infrared （FTIR） spectra. There are two typical transformation tendencies of microstructure after illumination. It proposes a model of light induced structural change based on the experimental results. It is found that all samples follow the same mechanism during illumination, and intrinsic structure of samples affect the total H content.

Thermodynamic Foundation for High Temperature Electrochemistry

Thermodynamic concepts required for the thermodynamic calculation of the potentials of electrodes for high temperature applications are briefly reviewed. A thermodynamic approach to the calculation of half cell potentials and the standard chemical potential of an electron at high temperatures which are related to the Standard Hydrogen Electrode(SHE) is discussed. As examples, an external Ag/AgCl reference electrode and a YSZ(Ag|O_2) pH sensor for high temperature applications are analyzed by using the thermodynamic approach to derive a high temperature pH measurement equation. The two electrodes are employed to measure high temperature pH and the measured pH was compared with the calculated pH by using a solution chemistry method. Concepts and principles for electrode kinetics are also briefly introduced and a modification to the Tafel equations is suggested.

Simulation of SET Operation in Phase-Change Random Access Memories with Heater Addition and Ring-Type Contactor for Low-Power Consumption by Finite Element Modeling

A three-dimensional finite element model for phase change random access memory （PCRAM） is established for comprehensive electrical and thermal analysis during SET operation. The SET behaviours of the heater addition structure （HS） and the ring-type contact in bottom electrode （RIB） structure are compared with each other. There are two ways to reduce the RESET current, applying a high resistivity interracial layer and building a new device structure. The simulation resuIts indicate that the variation of SET current with different power reduction ways is little. This study takes the RESET and SET operation current into consideration, showing that the RIB structure PCRAM cell is suitable for future devices with high heat efficiency and high-density, due to its high heat efficiency in RESET operation.

Fabrication of InAlGaN/GaN High Electron Mobility Transistors on Sapphire Substrates by Pulsed Metal Organic Chemical Vapor Deposition

Nearly lattice-matched InAIGaN/GaN heterostructure is grown on sapphire substrates by pulsed metal organic chemical vapor deposition and excellent high electron mobility transistors are fabricated on this heterostructure. The electron mobility is 1668.08cm2/V.s together with a high two-dimensional-electron-gas density of 1.43 × 10^13 cm-2 for the InAlCaN/CaN heterostructure of 2Onto InAlCaN quaternary barrier. High electron mobility transistors with gate dimensions of 1 × 50 μm2 and 4μm source-drain distance exhibit the maximum drain current of 763.91 mA/mm, the maximum extrinsic transconductance of 163.13 mS/mm, and current gain and maximum oscillation cutoff frequencies of 11 GHz and 21 GHz, respectively.

Hybridized valence electrons of 4f^(0-14)5d^(0-1)6s^2:the chemical bonding nature of rare earth elements

The chemical bonding nature of rare earth（RE） elements can be studied by a quantitative analysis of electron domain of an atom. The outer electrons of RE elements are within the valence shell 4f^（0-14）5d^（0-1）6s^2, which are involved in all chemical bonding features. We in this work found that the chemical bonding characteristics of 4f electrons are a kind of hybridizations, and classified them into three types of chemical bonding of 4f^（0-14）5d^（0-1）6s^2, furthermore, the coordination number ranging from 2 to 16 could thus be determined. We selected Y（NO_3）_3, La（NO_3）_3, Ce（NO_3）_3, YCl_3, LaCl_3, and CeCl_3 as examples to in-situ observe their IR spectra of chemical bonding behaviors of Y^（3＋）, La^（3＋） and Ce^（3＋） cations, which could show different chemical bonding modes of 4f and 5d electrons. In the present study, we obtained the direct criterion to confirm whether 4f electrons can participate in chemical bonding, that is, only when the coordination number of RE cations is larger than 9.

Interfacial Synthesis ofδ-MnO2 Nano-sheets with a Large Surface Area and Their Application in Electrochemical Capacitors

Birnessite-type MnO2 （δ-MnO2） nano-sheets were successfully synthesized by an interracial synthesis method in this work. The properties and electrochemical performance of the as-prepared δ-MnO2 were analyzed and evaluated by scanning electron microscopy （SEM）, X-ray diffraction （XRD）, nitrogen adsorption measurement and electrochemical tests. This facile synthesis method enables δ-MnO2 nanosheets to show a large specific surface area （257.5 m^2 g^-1）. The electrochemical test results show that the specific capacitance is 272 F g^-1 and the specific capacitance retention is over 96.7% after 1000 cycles at a scan rate of 10 mV s^-1. All results demonstrate that δ-MnO2 has a great potential application in high- performance electrochemical capacitors, and this interracial synthesis method will be a very promising method to synthesize highly active MnO2 materials in a large scale.

Hydrothermal synthesis and characterization of NiS flower-like architectures

Under the influence of thiocyanate anions （SCN-） and cetyltrimethyl ammonium bromide （CTAB）, NiS flower-like architectures were successfully synthesized by a one-step hydrothermal method. The syn-thesized flower-like architectures, with a multilayered and highly ordered texture, have diameters of several micrometers. X-ray powder diffraction （XRD） shows that the NiS flower-like architectures are rhombohedral crystalline. On the basis of condition-dependent experiments, the diffusion-limited aggregation （DLA） model and cage effect were used to explain the growth process of rhombohedral crystalline NiS flower-like architectures. Magnetic measurements showed that the coercivity （He） of the as-obtained NiS flower-like architectures was 102.14 Oe.

Influence of super-strong magnetic field on the electron chemical potential and β decay in the stellar surroundings

In this paper, considering the quantum effect of electrons in a super-strong magnetic field, the influence of a super-strong magnetic field on the chemical potential of a non-zero temperature electron is analyzed, the rates of β decay under the super-strong magnetic field are studied, and then we compare them with the case without a magnetic field. Here, the nucleus ^63Co is investigated in detail as an example. The results show that a magnetic field that is less than 1010 T has little effect on the electron chemical potential and β decay rates, but the super-strong magnetic field that is greater than 1010 T depresses the electron chemical potential and improves the β decay rates clearly.

Synthesis and Properties of Monodisperse Superparamagnetic Mg_(0.8)Mn_(0.2)Fe_2O_4 Nanoparticles Using Polyol Reflux Method

Superparamagnetic monodisperse Mg0.8Mn0.2Fe2O4 nanoparticles have been successfully synthesized in liquid polyol at elevated temperature of 200 °C. Diethylene glycol（DEG） used here plays dual role in synthesis as it acts as reducing agent and alternatively coats the surface of nanoparticles while synthesis and thereby maintaining uniform size and dispersibility. Powder X-ray diffraction（XRD） and magnetic measurements showed that the sample is cubic spinel and superparamagnetic at room temperature. Raman spectra confirmed the formation of the Mg0.8Mn0.2Fe2O4 nanoparticles.The nanoparticles exhibit very good stability in water due to in situ coating with DEG molecules.

Chemical Bath Co-deposited ZnS Film Prepared from Different Zinc Salts: ZnSO_4—Zn(CH_3COO)_2, Zn(NO_3)_2—Zn(CH_3COO)_2,or ZnSO_4—Zn(NO_3)_2

ZnSO4-Zn（CH3COO）2, Zn（NO3）2-Zn（CH3COO）2, ZnSO4-Zn（NO3）2, ZnSO4, Zn（NO3）2 or Zn（CH3COO）2 have been used as zinc sources to prepare ZnS thin films by chemical bath deposition and co-deposition methods. Zn（NO3）2 or/and Zn（CH3COO）2 is/are favorable for cluster by cluster deposition process while ZnSO4 favors ion by ion deposition process regardless of concentration ratios of ZnSO4. However, Zn（NO3）2 affects the nucleation density of ZnS nuclei on the substrate. ZnS thin films deposited from ZnSO4-Zn（CH3COO）2 are not only more homogeneous and compact, but also have higher growth rate and adhesion on to the glass substrate. The cubic ZnS films are obtained after only single deposition. The average transmission of films from S6, S7, S8, S9 and S1 for 2 and 2.5 h is greater than 85% in visible region. Compared with the film from S6 （112 nm）, the film from S7 is not only thicker （125 nm）, but also more transparent. The band gaps of the films deposited from S6,S7, S8, S9 and S1 for 2 and 2.5 h range from 3.88 to 3.98 eV. The effects of anions from different zinc salts are discussed in detail.

Chemically induced dynamic electron polarization investigation of the triplet-radical system in the solution of the triplet quencher

The chemically induced dynamic electron polarization (CIDEP) of the triplet molecule/triplet quencher/2, 2, 6, 6-tetramethyl-1-piperidinyloxyl (TEMPO) systems were measured using the high time-resolved ESR spectrometer. The competition between the radical-triplet pair mechanism (RTPM) and triplet mechanism (TM) or radical pair mechanism (KIM) polarization in the solution of the triplet quencher was investigated, and the relationships between reaction rate of the radical-triplet pair and quenching rate of triplet was deduced.