Reanalysis of energy band structure in the type-II quantum wells

Band structure analysis holds significant importance for understanding the optoelectronic characteristics of semiconductor structures and exploring their potential applications in practice. For quantum well structures, the energy of carriers in the well splits into discrete energy levels due to the confinement of barriers in the growth direction. However, the discrete energy levels obtained at a fixed wave vector cannot accurately reflect the actual energy band structure. In this work, the band structure of the type-II quantum wells is reanalyzed. When the wave vectors of the entire Brillouin region(corresponding to the growth direction) are taken into account, the quantized energy levels of the carriers in the well are replaced by subbands with certain energy distributions. This new understanding of the energy bands of low-dimensional structures not only helps us to have a deeper cognition of the structure, but also may overturn many viewpoints in traditional band theories and serve as supplementary to the band theory of low-dimensional systems.

Energy Band Structure of Alq_3/TCAQ Heterostructure Complex Film Determined by Surface Photovoltage Spectroscopy(SPS)

8-Hydroxyquinoling aluminum (Alq3) and 11, 11, 12, 12-tetracyano-9, 10-anthraquino dimethane(TCAQ) monolayer films and their heterostructure complex films were prepared by a vacuum deposition method. By means of surface photovoltage spectroscopy (SPS) and electric field-induced surface photovoltage spectroscopy (EFISPS), the band gaps of TCAQ and Alq3 monolayer films and the properties of the Alq3/TCAQ bilayer film were investigated. By analysing the mechanism and the results of the SPS and the EFISPS, a reasonable energy band structure of the Alq3/TCAQ complex film was roughly determined.

Enhancing thermoelectric performance of p-type SnTe through manipulating energy band structures and decreasing electronic thermal conductivity

SnTe has received considerable attention as an environmentally friendly alternative to the representative thermoelectric material of PbTe.However,excessive hole carrier concentration in SnTe results in an extremely low Seebeck coefficient and high thermal conductivity,which makes it exhibit relatively inferior thermoelectric properties.In this work,the thermoelectric performance of p-type SnTe is enhanced through regulating its energy band structures and reducing its electronic thermal conductivity by combining Bi doping with CdSe alloying.First,the carrier concentration of SnTe is successfully suppressed via Bi doping,which significantly decreases the electronic thermal conductivity.Then,the convergence and flattening of the valence bands by alloying CdSe effectively improves the effective mass of SnTe while restraining its carrier mobility.Finally,a maximum figure of merit(ZT) of~ 0.87 at 823 K and an average ZT of~ 0.51 at 300-823 K have been achieved in Sn_(0.96)Bi_(0.04)Te-5%CdSe.Our results indicate that decreasing the electronic thermal conductivity is an effective means of improving the performance of thermoelectric materials with a high carrier concentration.

Studying the variable energy band structure for energy storage materials in charge/discharge process

So far,a clear understanding about the relationship of variable energy band structure with the corresponding charge-discharge process of energy storage materials is still lacking.Here,using optical spectroscopy(red-green-blue(RGB)value,reflectivity,transmittance,UV-vis,XPS,UPS)to studyα-Co(OH)_(2) electrode working in KOH electrolyte as the research object,we provide direct experimental evidence that:(1)The intercalation of OH-ions will reduce the valence/conduction band(VB and CB)and band gap energy(Eg)values;(2)The deintercalation of OH-ions corresponds with the reversion of VB,CB and E_(g) to the initial values;(3)The color of Co(OH)_(2) electrode also exhibit regular variations in RGB value during the charge-discharge process.

Highly Active Interfacial Sites in SFT-SnO_(2) Heterojunction Electrolyte for Enhanced Fuel Cell Performance via Engineered Energy Bands:Envisioned Theoretically and Experimentally

Extending the ionic conductivity is the pre-requisite of electrolytes in fuel cell technology for high-electrochemical performance.In this regard,the introduction of semiconductor-oxide materials and the approach of heterostructure formation by modulating energy bands to enhance ionic conduction acting as an electrolyte in fuel cell-device.Semiconductor(n-type;SnO_(2))plays a key role by introducing into p-type SrFe_(0.2)Ti_(0.8)O_(3-δ)(SFT)semiconductor perovskite materials to construct p-n heterojunction for high ionic conductivity.Therefore,two different composites of SFT and SnO_(2)are constructed by gluing p-and n-type SFT-SnO_(2),where the optimal composition of SFT-SnO_(2)(6∶4)heterostructure electrolyte-based fuel cell achieved excellent ionic conductivity 0.24 S cm^(-1)with power-output of 1004 mW cm^(-2)and high OCV 1.12 V at a low operational temperature of 500℃.The high power-output and significant ionic conductivity with durable operation of 54 h are accredited to SFT-SnO_(2)heterojunction formation including interfacial conduction assisted by a built-in electric field in fuel cell device.Moreover,the fuel conversion efficiency and considerable Faradaic efficiency reveal the compatibility of SFT-SnO_(2)heterostructure electrolyte and ruled-out short-circuiting issue.Further,the first principle calculation provides sufficient information on structure optimization and energy-band structure modulation of SFT-SnO_(2).This strategy will provide new insight into semiconductor-based fuel cell technology to design novel electrolytes.

Highly Sensitive Photodetectors Based on WS_(2) Quantum Dots/GaAs Heterostructures

The performance of the photodetector is significantly impacted by the inherent surface faults in GaAs nanowires(NWs).We combined three-dimensional(3D)gallium arsenide nanowires with zero-dimensional(0D)WS_(2) quantum dot(QDs)materials in a simple and convenient way to form a heterogeneous structure.Various performance enhancements have been realized through the formation of typeⅡenergy bands in heterostructures,opening up new research directions for the future development of photodetector devices.This work successfully fabricated a high-sensitivity photodetector based on WS_(2)QDs/GaAs NWs heterostructure.Under 660 nm laser excitation,the photodetector exhibits a responsivity of 368.07 A/W,a detectivity of 2.7×10^(12)Jones,an external quantum efficiency of 6.47×10^(2)%,a low-noise equivalent power of 2.27×10^(-17)W·Hz^(-1/2),a response time of 0.3 s,and a recovery time of 2.12 s.This study provides a new solution for the preparation of high-performance GaAs detectors and promotes the development of optoelectronic devices for GaAs NWs.

ELECTRONIC ENERGY BAND STRUCTURE OF MOLECULAR CRYSTALS MCI·(TCNQ)_2 AND ITS RELATIONSHIP WITH THE ELECTRICAL CONDUCTION

The structure of electronic energy bands, electric charge distribution and the amount of charge transfer of molecular crystals 1-MCI·(TCNQ)_2 (Ⅰ) and 2-MCI· (TCNQ)_2 (Ⅱ) have been studied. The results are: (ⅰ) The dominant contributions to the electrical conductivities for crystals Ⅰ and Ⅱ are from TCNQ molecular columns, and the charge carriers are electrons. (ⅱ) The electrical conduction is mainly due to the hopping of charge carriers between the seats of lattice. (ⅲ) The considerable difference of the electrical conductivities between crystals Ⅰ and Ⅱ is due to the differences between (a) the concentrations of charge carriers n_(AⅠ)~C= 0.9988-|e|/cell and n_(AⅡ)~C=0.0340-|e|/cell; (b) the widths of the energy bands △E_(AⅠ)^(LU)=0.88 eV and △E_(AⅡ)~LU=0.040 eV; (c) the first derivative of E with respect to k, (dE/dk)_(K_FAⅠ)^(LU)=0.27 eV· and (dE/dk)_(K_FAⅡ)~LU=0.0048 eV·; and (d) the difference of energy barriers for the hopping of charge carriers ∈_Ⅱ-∈Ⅰ=2.5-8.8 kJ/mol.

The Influence of Muffin-tin Approximation on Energy Band Gap

The influence of muffin tin approximation on energy band gap was studied using LMTO ASA ( Linear Muffin Tin Orbital Atomic Sphere Approximation) approach. Since the diverse data are available for LaX(X=N, P, As, Sb), they are presented in our research as an example in order to test the reliability of our results. Four groups of muffin tin radii were chosen, they were the fitted muffin tin radii based on the optical properties of the crystals (the first), 1∶1 for La∶X(the second), 1 5∶1 for La∶X(the third), and a group of radii derived by making the charge in the interstitial space to be zero(the fourth). The results show that the fitted muffin tin radii (the first group) give the best results compared with experimental values, and the predicted energy band gaps are very sensitive to the choice of muffin tin radius in comparison with the other groups. The second and the third delivered results somewhere in between, while the fourth provided the worst results compared with the other groups. For the same crystal, with the increase of muffin tin radius of lanthanum, the calculated energy band gaps decreased, going from semi conductor to semi metal. This again clearly indicated the sensitivity of energy band structure on muffin tin approximation.

First-principle calculation on the defect energy level of carbon vacancy in 4H-SiC

First, electronic structures of perfect wurtzite 4H-SiC were calculated by using first-principle ultra-soft pseudopotential approach of the plane wave based on the density functional theory; and the structure changes, band structures, and density of states were studied. Then the defect energy level of carbon vacancy in band gap was examined by substituting the carbon in 4H-SiC with carbon vacancy. The calculated results indicate the new defect energy level generated by the carbon vacancy, and its location in the band gap in 4H-SiC, which has the character of deep acceptor. A proper explanation for green luminescence in 4H-SiC is given according to the calculated results which are in good agreement with our measurement results.

Exploring the band structure of Wurtzite InAs nanowires using photocurrent spectroscopy

Nano Research volume We use polarized photocurrent spectroscopy in a nanowire device to investigate the band structure of hexagonal Wurtzite InAs.Signatures of optical transitions between four valence bands and two conduction bands are observed which are consistent with the symmetries expected from group theory.The ground state transition energy identified from photocurrent spectra is seen to be consistent with photoluminescence emitted from a cluster of nanowires from the same growth substrate.From the energies of the observed bands we determine the spin orbit and crystal field energies in Wurtzite InAs.This information is vital to the development of crystal phase engineering of this important III-V semiconductor.

Novel photoluminescence properties of InAlO_3(ZnO)_m superlattice nanowires

One-dimension InAlO3 （ZnO）m superlattice nanowires were successfully synthesized via chemical vapor deposition. Transmission electron microscopy measurements reveal that the nanowires have a periodic layered structure along the （0001） direction. The photoluminescence properties of InAlO3（ZnO）m superlattice nanowires are studied for the first time. The near-band-edge emissions exhibit an obvious red shift due to the formation of the localized tail states. The two peaks centered at 3.348 eV and 3.299 eV indicate a lever phenomenon at the low-temperature region. A new luminescence mechanism is proposed, combined with the special energy band structure of InAlO3（ZnO）m.

Morphology-structure diversity of ZnS nanostructures and their optical properties

ZnS nanostructures with different dimensions and structure-related properties were reviewed in this paper. The crystallization of nanostructures from 0D, 1D to 3D, as well as the heterogonous counterparts, was sum- marized in the aspect of zinc blende, wurtzite structure, and their combinations. Furthermore, the structure-related energy bands and the corresponding photoelectric properties of ZnS nanostructures were also focused, in which we made a brief summary of the co-relations between photoluminescence and crystallography, especially the defectrelated luminescence properties of ZnS nanocrystal.

Lower oxygen vacancy concentration in BiPO_(4)with unexpected higher photocatalytic activity

Defect engineering has been demonstrated to be an appealing strategy to boost the photocatalytic activity of materials.However,can higher defect concentration bring about higher photocatalytic activity?This is an open question.In this work,BiPO_(4)photocatalysts with controllable oxygen vacancy concentrations were successfully synthesized.The photocatalytic activity of the obtained BiPO_(4)photocatalysts was determined by the removal of ciprofloxacin and 4-chlorophenol,as well as CO_(2)photoreduction.The BiPO4materials with lower oxygen vacancy concentration could display unexpected higher photocatalytic efficiency.Through the investigation of different factors which may affect the photocatalytic performance,such as crystal structure,morphology,specific surface area,defect,and energy band structure,it can be found that the energy band structure difference was responsible for the enhanced photocatalytic activity.

Constructing heterointerface of Bi/Bi_(2)S_(3)with built-in electric field realizes superior sodium-ion storage capability

Bismuth sulfide(Bi_(2)S_(3))is a dominant anode material for sodium-ion batteries due to its high theoretical capacity.However,extreme volume fluctuations as well as low electrical conductivity and reaction kinetics still limit its practical applications.Herein,we construct an abundant heterointerface of Bi/Bi_(2)S_(3)by engineering the structure of Bi nanoparticles embedded on Bi_(2)S_(3)nanorods(denoted as Bi-Bi_(2)S_(3)NRs)to effectively solve the above-mentioned obstacles.Theoretical and systematic characterization results reveal that the constructed hetero-interface of Bi/Bi_(2)S_(3)has a built-in electric field,significantly boosts the electrical conductivity,enhances the Na^(+)diffusion kinetics,and buffers the volume variation.With this modification,it can deliver long cycling life,with an ultra-high capacity of 500 mAh g^(-1)over 500 cycles at 1 A g^(-1),and outstanding rate capability,with a capacity of 456 mAh g^(-1)even at 15 A g^(-1).Moreover,a full cell can achieve a high energy density of 180 Wh kg^(-1)at a power density of 40 W kg^(-1).Our research opens up a fresh path for improving the dynamics and structural stability of metal sulfide-based electrode materials for SIBs.

Bending strain effects on the optical and optoelectric properties of GaN nanowires

Elastic strain has been an important method to regulate the electronic structures and physical properties of nanoscale semiconductors due to the promising potentials in improving the performance of their optoelectronic devices.Here,we report the investigation of bending strain effects on the optical and optoelectric properties of individual gallium nitride(GaN)nanowires(NWs).By charactering the near-band emission spectrum of individual GaN NWs at different bending strains with low temperature cathodoluminescence(CL),we reveal that the near-band emission splits into two peaks,where the low energy peak displays a linear redshift with increasing the bending strain while the high energy one shows a slight blueshift.Further localized ultraviolet(UV)photoresponse measurements illustrate that the photoresponse of the GaN NWs shows a linear increase with the bending train,and the maximum enhancement is more than two orders of magnitude.The experimental observations are well interpreted by theoretical calculations on the strain modulation on the electronic band structure of GaN combined with analysis of carrier dynamics and optical waveguide effect in the bending strain field.Our results not only shed light on the bending strain effects on the optical and optoelectric properties of semiconductors,but also hold potential to help the future design of high performance nano-optoelectric devices.