SnS_2 quantum dots: Facile synthesis, properties,and applications in ultraviolet photodetector

Tin sulfide quantum dots(SnS_2 QDs) are n-type wide band gap semiconductor. They exhibit a high optical absorption coefficient and strong photoconductive property in the ultraviolet and visible regions. Therefore, they have been found to have many potential applications, such as gas sensors, resistors, photodetectors, photocatalysts, and solar cells. However, the existing preparation methods for SnS_2 QDs are complicated and require a high temperature and high pressure environments; hence they are unsuitable for large-scale industrial production. An effective method for the preparation of monodispersed SnS_2 QDs at normal temperature and pressure will be discussed in this paper. The method is facile, green,and low-cost. In this work, the structure, morphology, optical, electrical, and photoelectric properties of SnS_2 QDs are studied. The synthesized SnS_2 QDs are homogeneous in size and exhibit good photoelectric performance. A photoelectric detector based on the SnS_2 QDs is fabricated and its J–V and C–V characteristics are also studied. The detector responds under λ = 365 nm light irradiation and reverse bias voltage. Its detectivity approximately stabilizes at 1011 Jones at room temperature. These results show the possible use of SnS_2 QDs in photodetectors.

A Quantum Chemistry Study on Structural Properties of Petroleum Resin

The geometries of resins with single-layer （SG）, double-layer （DG） and triple-layer （TG） were calculated with the quantum chemistry method. The geometries and net charges of atoms were obtained. The calculated average distances between layers were 0.5348 nm and 0.5051 nm and the action energies were -9.6355 kJ/mol and -32.2803 kJ/mol for resins DG and TG, respectively. Higher electronegative polar atoms can easily form hydrogen bonds with hydrogen atoms of other resin molecules, resulting in resin aggregates. The minimum cross-sectional diameters of resin molecules are too large to enter the pores of zeolite, so they are likely to crack on the surface of zeolite.

Transport properties in a multi-terminal regular polygonal quantum ring with Rashba spin-orbit coupling

Transport properties in a multi-terminal regular polygonal quantum ring with Rashba spin-orbit coupling （SOC） are investigated analytically using quantum networks and the transport matrix metLod. The results show that conduc- tances remain at exactly the same values when the output leads are located at axisymmetric positions. However, for the nonaxisymmetrical case, there is a phase difference between the upper and lower arm, which leads to zero conductances appearing periodically. An isotropy of the conductance is destroyed by the Rashba SOC effect in the axisymmetric case. In addition, the position of zero conductance is regulated with the strength of the Rashba SOC.

Hydrothermal Synthesis,Crystal Structure,Spectrum Properties and Quantum Chemical Calculation of a Trinuclear Copper(Ⅱ) Complex with 3-(Pyridin-2-yl)-1,2,4-triazole

A three-dimensional framework copper（Ⅱ） coordination polymer with copper carbonate basic and 3-（pyridin-2-yl）-1,2,4-triazole （Hpt） has been hydrothemally synthesized.The complex （2,C14 H10 CuN8 ·3H2 O） crystallizes in tetragonal,space group P4 2 /n,a=2.08581（12）,b=2.08581（12）,c=0.72331（4） nm,M r=761.73,V=3.1468（3） nm 3,Dc=1.608 g/cm 3,Z=4,F（000）=1552,GOOF=1.07,R=0.0515 and wR=0.1689.Every asymmetric unit molecular structure of the complex is composed with one copper ion,one and half water molecules and two Hpt molecules.Each copper ion is coordinated with five nitrogen atoms from four Hpt molecules,forming a distorted square pyramidal geometry.The fluorescence spectrum analysis shows that the title complex at room temperature exhibits intense photoluminescence with maximum emission at 450 nm.The quantum chemistry calculation study on the complex has been performed.The stability,some frontier molecular orbital energies and composition characteristics of some frontier molecular orbitals of the complex have been investigated.

Linear and Nonlinear Optical Properties in Spherical Quantum Dots

We calculate the energy eigenvalues and the sate functions of one-electron Quantum Dot （QD） by using a combination of Quantum Genetic Algorithm （QGA） and Hartre-Fock-Roothaan （HFR） method. The linear and the third-order nonlinear optical absorption coefficients for the 1s-1p, 1p-1d, and 1d-1f transitions are examined as a function of the incident photon energy for three different values of the stoichiometric ratio. The results show that the stoichiometric ratio, impurity, relaxation time, and dot size have great influence on the optical absorption coefficients of QDs.

MXene quantum dots of Ti_(3)C_(2):Properties,synthesis,and energy-related applications

The emerging two-dimensional MXene-derived quantum dots(MQDs)have garnered considerable research interest owing to their abundant active edge atoms,excellent electrical conductivity,and remarkable optical properties.Compared with their two-dimensional(2D)counterpart MXene,MQDs with forceful size and quantum confinement effects exhibit more unparalleled properties and have considerably contributed to the advanced photocatalysis,detection,energy storage,and biomedicine fields.This critical review summarizes the fundamental properties of MQDs in terms of structure,electricity,and optics.The mechanism,characteristics,and comparisons of two typical synthesis strategies(traditional chemical method and novel fluorine-free or chemical-free method)are also presented.Furthermore,the similarities and differences between MQDs and 2D MXenes are introduced in terms of their functional groups,light absorption capacity,energy band structure,and other properties.Moreover,recent advances in the applications of MQD-based materials for energy conversion and storage(ECS)are discussed,including photocatalysis,batteries,and supercapacitors.Finally,current challenges and future opportunities for advancing MQD-based materials in the promising ECS field are presented.

Violation of Cluster Property in Quantum Antiferromagnet

The cluster property is one of fundamental properties in physics. This property means that there are no relations between two events that are sufficiently separated. Because the cluster property is directly connected with entanglement in quantum field theory and in many-body systems, theoretical and experimental progress on entanglement stimulates us to study this property deeply. In this paper we investigate the cluster property in the spin 1/2 XXZ antiferromagnet on the square lattice with an explicitly symmetry breaking interaction of strength g. In this model spontaneous symmetry breaking occurs when the lattice size N is infinitely large. On the other hand, we have to make g zero in order to obtain quantities in the XXZ model with no symmetry breaking interaction. Since some results depend on the sequence of limit operations — ?and , it is difficult to draw a clear conclusion in these limits. Therefore we study the model with finite g on the finite lattice, whose size N is supposed to be 1020, for our quantitative calculations. Then we can obtain the concrete ground state. In order to study the cluster property we calculate the spin correlation function. It is known that the function due to Nambu-Goldstone mode (gapless mode), which is calculated using linear spin wave theory, satisfies this property. In this paper we show that almost degenerate states also induce the spin correlation. We assume that the spin correlation function in measurements is a sum of the function due to Nambu-Goldstone mode and one due to these degenerate states. Then we examine whether the additional correlation function violates the cluster property or not. Our conclusion is that this function is finite at any distance, which means the violation of the cluster property, and it is of order of . Except for the case of extremely small g, this violation is the fine effect. Therefore the correlation function due to the degenerate states can be observed only when it is larger than the spin correlation function due to Nambu-Goldstone mode. We show that g required for this condition depends on the distance between positions of two spin operators.

Quantum Curie-Weiss Magnet Induced by Violation of Cluster Property

There are some concepts that are accepted in our daily life but are not trivial in physics. One of them is the cluster property that means there exist no relations between two events which are sufficiently separated. In the works recently published by the author, the extensive and quantitative examination has been made about the violation of cluster property in the correlation function of the spin operator for the quantum spin system. These works have shown that, when we include the symmetry breaking interaction, the effect by the violation is proportional to the inverse of the system size. Therefore this effect is tinny since the system size is quite large. In order to find the effect due to the violation even when the size is large, we propose a new system where additional spins couple with the spin system on the square lattice, where the coupling constant between these systems being assumed to be small. Applying the perturbation theory, we obtain the effective Hamiltonian for the additional system. This Hamiltonian includes Curie-Weiss model that is induced by the violation of the cluster property. Then we find that this effective Hamiltonian has the factor which is the inverse of the system size. Since Curie-Weiss model, which is known to be exactly soluble, has to contain this factor so that the thermodynamical properties are well-defined, the essential factor for the Hamiltonian is determined by the coupling and the strength of the symmetry breaking interaction. Our conclusion is, therefore, that it is possible to observe the effect by the violation of the cluster property at the inverse temperature whose order is given by these parameters.

Quantum Properties of Two-Mode Squeezed Even and Odd Coherent States

Two new types of quantum states are constructed by applying the operator s（ξ） = exp（ξ＊ ab - ξa＋b＋） on the two-mode even and odd coherent states. The mathematical and quantum statistical properties of such states are investigated. Various nonclassical features of these states, such as squeezing properties, the inter-mode photon bunching, and the violation of Cauchy-Schwarz inequality, are discussed. The Wigner function in these states are studied in detail.

Construction of Laguerre polynomial's photon-added squeezing vacuum state and its quantum properties

Laguerre polynomial’s photon-added squeezing vacuum state is constructed by operation of Laguerre polynomial’s photon-added operator on squeezing vacuum state. By making use of the technique of integration within an ordered product of operators, we derive the normalization coefficient and the calculation expression of ■. Its statistical properties, such as squeezing, the anti-bunching effect, the sub-Poissonian distribution property, the negativity of Wigner function, etc., are investigated. The influences of the squeezing parameter on quantum properties are discussed. Numerical results show that,firstly, the squeezing effect of the 1-order Laguerre polynomial’s photon-added operator exciting squeezing vacuum state is strengthened, but its anti-bunching effect and sub-Poissonian statistical property are weakened with increasing squeezing parameter; secondly, its squeezing effect is similar to that of squeezing vacuum state, but its anti-bunching effect and subPoissonian distribution property are stronger than that of squeezing vacuum state. These results show that the operation of Laguerre polynomial’s photon-added operator on squeezing vacuum state can enhance its non-classical properties.

STRUCTURES,PROPERTIES AND QUANTUM CHEMISTRY STUDIES OF As-S-X(X=Cl,Br,I)AND As-Y-Br(Y=S,Se,Te)GLASSES

As-S-X (X = Cl, Br, I) and As-Y-Br (Y = Sd Se, Te) glasses are studied with Self-Consistent-Field Discrete Variational X(a)(SCF-DV-X(a)) tone of the molecule orbital calculating methods in quantum chemistry. The chemical bonding is studied to discuss the relations between structures and properties with the variations of compositions of the glasses. The calculated results show that the strength of covalent and ionic bonds are both in the order of As-S-Cl > As-S-Br > As-S-I as well as As-S-Br > As-Se-Br > As-Te-Br, it is consistent with the experimental result of the glass-transition temperature (Tg) of the corresponding glasses. The differences of chemical bond strength and Tg among As-S-X (X = Cl ,Br ?I) glasses a-re larger are larger than those among As-Y-Br(Y = S, Se, Te) glasses and the largest difference of chemical bond strength is that of ionic bond of As-X among As-S-X (X = Cl, Br, I) glasses,so the variations of X (X = Cl, Br, I), the end atoms on the chains in the glasses, play the more important role to affect the structure and property of the glasses.

Quantum Chemical Calculation on the Structures and Electronic Properties of Phosphonate Ester as Rare Earth Extractants

Molecular mechanics, molecular dynamics and semi empirical quantum chemical method have been used to study the geometric and electronic structures of six phosphonate ester as rare earth extractants. The results show that the phosphorus atom exhibits sp 3 hybridization. The structures of the extractants are determined by the repulsion of the hydrocarbon groups. In the extractants that have two 2 ethyl hexyl groups, one 2 ethyl hexyl extends straight, and the other extends twistily. When the number of oxygen atom decreases, the negative charge of the phosphoryl oxygen atom increases, but the negative charge of oxygen atom and the positive charge of hydrogen of the hydroxyl group decreases, and the energies of highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital(LUMO) increase. The energies of the occupied frontier orbitals are close to each other.

Influence of InAs deposition thickness on the structural and optical properties of InAs quantum wires

The influence of InAs deposition thickness on the structural and optical properties of InAs/InA1As quantum wires （QWR） superlattices （SLS） was studied. The transmission electron microscopy （TEM） results show that with increasing the InAs deposited thickness, the size uniformity and spatial ordering of InAs QWR SLS was greatly improved, but threading dislocations initiated from InAs nanowires for the sample with 6 monolayers （MLs） InAs deposition. In addition, the zig-zag features along the extending direc- tion and lateral interlink of InAs nanowires were also observed. The InAs nanowires, especially for the first period, were laterally compact. These structural features may result in easy tunneling and coupling of charge carders between InAs nanowires and will hamper their device applications to some extent. Some suggestions are put forward for further improving the uniformity of the stacked InAs QWRs, and for suppressing the formation of the threading dislocations in InAs QWR SLS.

Spin transport properties of a Dresselhaus-polygonal quantum ring

We propose a theoretical method to investigate the effect of the Dresselhaus spin–orbit coupling（DSOC） on the spin transport properties of a regular polygonal quantum ring with an arbitrary number of segments. We find that the DSOC can break the time reversal symmetry of the spin conductance in a polygonal ring and that this property can be used to reverse the spin direction of electrons in the polygon with the result that a pure spin up or pure spin down conductance can be obtained by exchanging the source and the drain. When the DSOC is considered in a polygonal ring with Rashba spin–orbit coupling（RSOC） with symmetric attachment of the leads, the total conductance is independent of the number of segments when both of the two types of spin–orbit coupling（SOC） have the same value. However, the interaction of the two types of SOC results in an anisotropic and shape-dependent conductance in a polygonal ring with asymmetric attachment of the leads. The method we proposed to solve for the spin conductance of a polygon can be generalized to the circular model.

Fabrication and optical properties of InGaN/GaN multiple quantum well light emitting diodes with amorphous BaTiO_3 ferroelectric film

BaTiO3 （BTO） ferroelectric thin films are prepared by the sol,el method. The fabrication and the optical properties of an InGaN/GaN multiple quantum well light emitting diode （LED） with amorphous BTO ferroelectric thin film are studied. The photolumineseence （PL） of the BTO ferroelectric film is attributed to the structure. The ferroeleetric film which annealed at 673 K for 8 h has the better PL property. The peak width is about 30 nm from 580 nm to 610 nm, towards the yellow region. The mixed electroluminescence （EL） spectrum of InGaN/GaN multiple quantum well LED with 150-nm thick amorphous BTO ferroelectric thin film displays the blue-white light. The Commission Internationale De L＇Eclairage （CIE） coordinate of EL is （0.2139, 0.1627）. EL wavelength and intensity depends on the composition, microstructure and thickness of the ferroelectric thin film. The transmittance of amorphous BTO thin film is about 93% at a wavelength of 450 nm-470 nm. This means the amorphous ferroelectrie thin films can output more blue-ray and emission lights. In addition, the amorphous ferroelectric thin films can be directly fabricated without a binder and used at higher temperatures （200 ℃-400 ℃）. It is very favourable to simplify the preparation process and reduce the heat dissipation requirements of an LED. This provides a new way to study LEDs.

Quantum properties near the instability boundary in optomechanical system

The properties of the system near the instability boundary are very sensitive to external disturbances, which is important for amplifying some physical effects or improving the sensing accuracy. In this paper, the quantum properties near the instability boundary in a simple optomechanical system have been studied by numerical simulation. Calculations show that the transitional region connecting the Gaussian states and the ring states when crossing the boundary is sometimes different from the region centered on the boundary line, but it is more essential. The change of the mechanical Wigner function in the transitional region directly reflects its bifurcation behavior in classical dynamics. Besides, quantum properties, such as mechanical second-order coherence function and optomechanical entanglement, can be used to judge the corresponding bifurcation types and estimate the parameter width and position of the transitional region. The non-Gaussian transitional states exhibit strong entanglement robustness, and the transitional region as a boundary ribbon can be expected to replace the original classical instability boundary line in future applications.

Analysis of Nonequilibrium Transport Properties of Interacting Quantum Wire Models

We analyze nonequilibrium electronic transport properties of a typical interacting three-site quantum wire model within Hartree-Fock approximation making use of Keldysh formalism. Some rigorous formulas are provided for direct calculations when Coulomb repulsion is present. According to numerical calculations using above formulas, we investigate the conductance, transport currents, and on site electronic charges of the wire on some special occasions in the interacting case, and also compare them with the results in the noninteracting case.

Magnetic Properties of Spin-1／2 Quantum Heisenberg Ferromagnet with Spatially Anisotropy

The spin-1/2 quantum Heisenberg ferromagnet with anisotropic spin exchange interactions in three dimensions are investigated by means of the Green's function method. In the Tyablikov approximation, the correlation function s, the magnetization, and the susceptibilities are computed. The magnetic properties of this model are found to be dependent of anisotropy.

Luminescent properties dependence of water-soluble CdTe quantum dots on stabilizing agents and reaction time

The influence of stabilizing agents and reaction time on the luminescent properties of water-soluble CdTe quantum dots(QDs) was discussed.The thioglycolic acid(TGA)-CdTe ODs were characterized by TEM,XRD and FTIR.It is found that larger-size QDs can be synthesized more easily when L-cysteine(Cys) or golutathione(GSH) is chosen as stabilizing agent and TGA is proper to prepare highly luminescent QDs because of the effect between Cd2+ and sulfhydryl group.Furthermore,the absorption wavelength,full width at half maximum(FWHM),stokes shift,photoluminescence(PL) quantum yield and PL stability of TGA-CdTe are strongly dependent on reaction time,in which the absorption wavelength changes against reaction time with an exponential function.The TGA-CdTe QDs prepared at 2 h possess more excellent luminescent properties.

Effects of Growth Conditions on Optical Properties ofGa In NAs/Ga As Quantum Well Grown by Molecular Beam Epitaxy

During the process of molecular beam epitaxy employing a DC plasma as N source, the effects of the growth temperature, growth rate and As 4 pressure on the optical properties of GaInNAs Quantum Well(QW) are similar to those of InGaAs QW with the same In contents. In the range of 400 to 470℃, elevating growth temperature is beneficial to the improvement in the photoluminescence (PL) peak intensity of GaInNAs QW, but obviously broadens the full width at half maximum PL peak. The improvement of optical properties and the reduction of N incorporation have been observed by increasing the growth rate. As 4 pressure mainly affects the optical properties of GaInNAs QW rather than N incorporation does.