Band Gap Spectra Research Articles

Gold Nanoparticles Modulate Excimer and Exciplex Dynamics of PDDCP-Conjugated Polymers.

How plasmonic nanostructures modulate the behavior of exciplexes and excimers within materials remains unclear. Thus, advanced knowledge is essential to bridge this gap for the development of optoelectronic devices that leverage the interplay between plasmonic and conjugated polymer hybrid materials. Herein, this work aims to explore the role of gold nanoparticles (AuNPs) in modulating exciplex and excimer states within the conjugated polymer poly(2,5-di(3,7-dimethyloctyloxy) cyanoterephthalylidene) (PDDCP), known for its photoluminescent and semi-conductive properties, aiming to create innovative composite materials with tailored optical features. The spectral analysis was conducted to investigate the effects of AuNPs on the PDDCP, varying AuNP volume percentages to measure changes in the absorption profile, molar extinction coefficient (ε), absorption cross-section (σa), and optical bandgap (Eg). Fluorescence spectra of the mixture at different volume ratios were also examined to assess exciplex formation, while amplified spontaneous emission (ASE) profiles were analyzed to study the behavior and photochemical stability of the polymer-NP hybrid material. Increasing AuNP volume induced both blue and red shifts in the absorption profile of the PDDCP. Higher AuNPs concentrations correlated with decreased ε and σa, inversely impacting Eg. The emission spectra obtained at varied AuNP volume ratios indicated significantly enhanced exciplex and excimer formations. The ASE profiles remained consistent but showed reduced intensity with increasing AuNPs concentrations, indicating their influence on hybrid material behavior and stability. The findings suggest that AuNPs affect PDDCP's optical characteristics, altering the absorption profile, bandgap, and fluorescence spectra. Furthermore, the observed reduction in ASE intensity highlights their influence on the behavior and photochemical stability of the hybrid material. These results contribute to a better understanding of the versatile applications of plasmonic-conjugated hybrid polymers.

Bloch-Landau-Zener oscillations in a quasi-periodic potential

Bloch oscillations and Landau-Zener tunneling are ubiquitous phenomena which are sustained by a band-gap spectrum of a periodic Hamiltonian and can be observed in dynamics of a quantum particle or a wavepacket in a periodic potential under action of a linear force. Such physical setting remains meaningful for aperiodic potentials too, although band-gap structure does not exist anymore. Here we consider the dynamics of noninteracting atoms and Bose-Einstein condensates in a quasiperiodic one-dimensional optical lattice subjected to a weak linear force. Excited states with energies below the mobility edge, and thus localized in space, are considered. We show that the observed oscillatory behavior is enabled by tunneling between the initial state and a state (or several states) located nearby in the coordinate-energy space. The states involved in such Bloch-Landau-Zener oscillations are determined by the selection rule consisting of the condition of their spatial proximity and condition of quasiresonances occurring at avoided crossings of the energy levels. The latter condition is formulated mathematically using the Gershgorin circle theorem. The effect of the inter-atomic interactions on the dynamics can also be predicted on the bases of the developed theory. The reported results can be observed in any physical system allowing for observation of the Bloch oscillations, upon introducing incommensurablity in the governing Hamiltonian. Published by the American Physical Society 2024

Potential application in the photocatalysis field of a carbon nitrogen material and methods to improve photocatalytic efficiency

Because two-dimensional graphene-like materials have great application potential in photocatalysis, we designed a new graphene-like material named g-C4N3H. It consists of four carbon atoms, three nitrogen atoms, and one hydrogen atom. Firstly, the stability of the structure was verified by molecular dynamics simulation. Then, the electronic properties of the structure, such as band gap and light absorption spectrum, were studied using first principles. The calculated band gap is 2.62 eV, and the edge potential is outside the redox potential of water, which can be used as a photocatalytic material to obtain hydrogen through water cracking and solar energy. To improve its catalytic performance, we improve the photocatalytic efficiency by stacking layers and forming a Schottky barrier. Our study provides more ideas for the application of these materials in photocatalysis.

Competition between Electron–Phonon and Spin–Phonon Interaction on the Band Gap and Phonon Spectrum in Magnetic Semiconductors

Using the microscopic s-f model and Green’s function theory, we study the temperature dependence of the band gap energy Eg and the phonon energy ω and damping γ of ferro- and antiferromagnetic semiconductors, i.e., with different signs of the s-f interaction constant I. The band gap is a fundamental quantity which affects various optical, electronic and energy applications of the materials. In the temperature dependence of Eg and the phonon spectrum, there is a kink at the phase transition temperature TC or TN due to the anharmonic spin–phonon interaction (SPI) R. Moreover, the effect of the SPI R and electron–phonon interaction (EPI) A on these properties is discussed. For I>0,R>0, Eg decreases with increasing SPI and EPI, whereas for I<0,R>0, there is a competition; Eg increases with raising the EPI and decreases for enhanced SPI. For R<0, in both cases, the SPI and EPI reduce Eg. The magnetic field dependence of Eg for the two signs of I and R is discussed. The SPI and EPI lead to reducing the energy of the phonon mode ω = 445 cm−1 in EuO (I>0, R<0), whereas ω = 151 cm−1 in EuSe (I>0, R>0) is enhanced with increasing EPI and reduced with SPI. Both the SPI and EPI lead to an increasing of the phonon damping in EuO and EuSe. The results are compared with the existing experimental data.

Electrochemical behavior of carbon/nickel sulfide nanocomposite thin films for advanced energy applications

The present study focuses on the hydrothermal synthesis of nickel sulfide (NiS) stabilized on carbon nanospheres (CNSs) with varying concentrations of CNSs. The samples were annealed to study the effect on their structural, chemical, and optical properties. Various characterizations were performed to confirm the presence of NiS nanocomposites, to study the annealing effects, and to examine how the increased amount of carbon nanospheres affects the sample properties. X-ray diffraction (XRD) patterns revealed the formation of multiple-phase C/NiS2/NiSO4·6(H2O) nanocomposites, which were observed to be forming CNSs/NiS nanocomposites after annealing, indicating the removal of sulfate impurity. Significant variations in the bandgap and absorption spectra were observed due to the varying concentration of CNSs from 0.3 g to 0.7 g. Morphological study through field emission scanning electron microscope (FESEM) showed the formation of nanosheets of NiS2/NiSO4·6(H2O) over carbon nanospheres, which was reduced to NiS after annealing. Transmission electron microscope (TEM) images of annealed samples showed the formation of CNSs/NiS nanocomposites. Electrochemical studies conducted through cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) showed diffusion-controlled behavior in all samples, rendering samples ideal for solar cell applications with the value of Warburg impedance 116.4 Ohm(s)1/2 for CNS1. Overall, the characterization results provide valuable insights into the properties and behavior of the synthesized nanocomposites.

Bright and dark breathers of the Benjamin–Ono equation on the traveling periodic background

The Benjamin–Ono (BO) equation describes long internal waves of small amplitude in deep fluids. Compared to its counterpart for shallow fluids, the Korteweg–de Vries (KdV) equation, the BO equation admits exact solutions for the traveling periodic and solitary waves as well as their interactions expressed in elementary (trigonometric and polynomial) functions. Motivated by a recent progress for the KdV equation, we discover here two scenarios of the soliton-periodic wave interactions which result in the propagation of either elevation (bright) or depression (dark) breathers (periodic in time coherent structures). The existence of two different breathers is related to the band-gap spectrum of the Lax operator associated with the traveling periodic wave. Given a simple structure of the exact solutions in the BO equation, we obtain a closed-form expression for multi-solitons interacting with the traveling periodic wave.

Ppy-decorated graphene oxide: Synthesis and analysis of surface, structural and optical properties

Here, we have syntheized Ppy (Polypyrrole) decorated GO (graphene oxide) and investigaed its morphological and optical characteristics. For fabrication of nanocomposites, in-situ polymerization technique was used. The crystalline size and strain of the synthesised sample were determined using an X-ray diffractometer (XRD). The surface morphology of the nanocomposites was investigated using field emission scanning electron microscopy (FESEM). The optical bandgap and PL spectra of the synthesised sample were examined using a photospectrometer and photoluminescence (PL) technique. The calculated crystalline size was ~ found as 5.91 nm with strain ~ 0.33907. In PL spectra, two peaks were found at ~ 430 nm and ~ 500 nm. The direct bandgap was calculated as~ 2.22 eV (visible region). Insights into their structural and optical characteristics are gained from the synthesis and characterization of PPy decorated GO nanocomposites, opening the door for further research and application in a variety of fields.

A comprehensive DFT + U investigation of electrical, optical, and structural properties of doped CsSnCl3 Perovskite: Unveiling optoelectronic potential

In the realm of advanced electrical and photovoltaic applications, inorganic metal halide perovskites (MHP) have captured attention. However, CsSnCl3, a notable member of MHPs, displays limited electro-optical potential due to its substantial bandgap and poor visible spectrum absorbance, which impedes its ability to achieve ideal optoelectronic efficiency. In this study, we used density functional theory (DFT) and the DFT + U technique to compute and investigate the structural, elastic, electrical, and optical properties of pure CsSnCl3 and its doped phases containing Ti, V, Cr, and Mn with different concentrations. Notably, this study represents the first utilization of DFT + U to simultaneously assess the band structure of both pure and doped CsSnCl3. Through meticulous alignment with experimental data and the derivation of a suitable Hubbard U correction value (6.5), our analysis reveals a refined band structure for pristine CsSnCl3. Critically, our research transcends conventional bandgap understanding, unlocking a profound connection between bandgap modulation and enhanced optoelectronic efficiency. Specifically, our systematic exploration uncovers a noteworthy enhancement in performance for various optoelectronic applications upon doping with V, Ti, Cr, and Mn, substantiating the practicality of our approach. Investigations into mechanical stability reveal that all doped samples exhibit a remarkable ductile nature, rendering them well-suited for thin-film solar cell production and other applications demanding stability and flexibility. By bridging the gap between theory and application, our study empowers researchers and industry professionals with actionable insights for selecting the most suitable doped compositions of CsSnCl3, ushering in an era of highly efficient and environmentally sustainable optoelectronic technologies.

Temperature-Dependent Optical Properties of Oxidized Graphenes.

In this study, we investigate how changing important synthesis-related parameters can affect and control the optical characteristics of graphene oxide (GO) and reduced graphene oxide (rGO). These parameters include drying time and reduction time at two different temperatures. We obtain an understanding of their impact on optical transitions, optical bandgap, absorption coefficient, and absorbance spectrum width by analyzing these factors. Accordingly, GO has an optical bandgap of about 4 eV, which is decreased by the reduction process to 1.9 eV. Both GO and rGO display greater absorption in the visible spectrum, which improves photon capture and boosts efficiency in energy conversion applications. Additionally, our results show that GO and rGO have higher absorption coefficients than those previously reported for dispersions of exfoliated graphene. Defects in GO and rGO, as well as the presence of functional oxygen groups, are the main contributors to this increased absorption. Several measurements are carried out, including spectroscopic and morphological studies, to further support our findings.

First principles studies on optoelectronics and transport properties of KSrY (Y = Sb, Bi) for renewable energy application

Currently, producing equipment and goods of all kinds that are economical, energy-efficient, and ecologically friendly is the main objective. In this study, an attempt has been made to look into these materials that meet these requirements. The structural, elastic, optoelectronic and transport characteristics of KSrY (Y = Sb,Bi) Half-Heusler were studied employing Full-potential, linearized augmented plane wave programs (FP_LAPW) approach as embedded in WIEN2K. The structural optimization was performed employing generalized gradient approximation (GGA). The computed lattice constants were reasonable in compliance with previous theoretical and experimental findings. The investigated KSrY (Y = Sb,Bi) were mechanically stable and brittle by nature. The KSrY (Y = Sb,Bi) compounds are discovered to have semiconducting nature with direct bandgap. The magnitudes of the bandgap for the KSrBi and KSrSb are 1.749 eV and 2.457 eV, respectively, using the mBJ approximation. The investigated materials on the basis of calculated band gap and optical spectra demonstrate the ability of the compounds to absorb both visible and UV light, henceforth application in optoelectronic devices. The Boltzmann transport theory included in the BoltzTraP package was used to study thermoelectric characteristics. The obtained figures of merit (ZT) values for the KSrY (Y = Bi, Sb) compounds are all close to unity at room temperature, suggesting optimum thermoelectric efficiency can be employed in thermoelectric devices.

Theoretical designing of symmetrical non-fullerene acceptor molecules by end-capped modification for promising photovoltaic properties of organic solar cells

Non-fullerene small molecules must absorb in a broader wavelength range for achieving high efficiencies. This work presents seven indacenodithiophene core-based acceptor molecules (SJA1-SJA7) designed by structurally tailoring the pre-existed SJ-IC molecule. Detailed studies of these newly designed molecules were carried out to analyze the stabilization of energy levels, planarity, UV–Visible absorption, light-harvesting efficiency, open circuit voltage (Voc), and other photovoltaic properties. Structural modification with different acceptors resulted in the narrowing of band gap and broader absorption spectrum. All the newly reported molecules showed significant redshift having λmax values ranging from 686 nm to 722 nm in the gas phase and 742 nm to 792 nm in chloroform as compared to SJ-IC which has λmax values at 675 nm and 732 nm in gas and chloroform medium respectively. Moreover, newly presented molecules exhibited lower excitation energy values and higher oscillator strength than SJ-IC molecule which indicate effective charge transfer between frontier molecular orbitals. Improved charge mobilities were observed as newly developed molecules possessed lower internal reorganization energies. These findings were further confirmed by molecular electrostatic potential (MEP) and transition density matrix (TDM) analysis. In case of Voc, SJA7 emerged as a more proficient molecule due to its higher value (1.440 eV) than SJ-IC (1.42 eV). These results assure the remarkable improvement in optoelectronic properties of designed molecules which makes them a better choice than pre-existing SJ-IC molecule for the development of improved OSCs in the future.

Thermal stimulated structural transformation of cubic Zn0.78Cd0.22S nanoparticles to ZnO nano-hexagons: Tailoring of optical band gap and emission spectra for optoelectronic implementations

Ternary alloys of Zn0.78Cd0.22S nanoparticles (NPs) are synthesized via the facile co-precipitation technique. The as-synthesized sample exhibits a zincblende-type cubic phase with an average crystalline size of 2 nm. Thermal annealing and UV irradiation are utilized as post-treatment processes for tailoring the optical properties of Zn0.78Cd0.22S NPs. The as-synthesized sample exhibits a stable cubic phase up to 400 °C, during which partial phase transformation to a hexagonal structure is observed at a higher temperature of 500 °C. The oxidation of Zn0.78Cd0.22S NPs to mixed oxide phases with the majority of ZnO begins at 600 °C which induces morphology transformation to a relatively large nano-hexagon with a single crystalline domain size. The increase of the annealing temperature is accompanied by a decrease of Zn0.78Cd0.22S NPs optical band gap (Eg) due to the weakness of size confinement as well as the formation of localized states below the mobility band edges. The brief UV irradiation results in the increase of Eg whereas a further increase in exposure time is accompanied by a reduction of Eg. The photoluminescence (PL) spectrum of the as-synthesized sample covers a wide spectral range from UV to visible. Thermal annealing has a slight effect on the PL emission at high excitation energy, whereas low excitation energy reveals higher sensitivity to deep-state emission. Thermal oxidation incorporates a high concentration of oxygen-related defects that induce strong enhancement in the green emission at the expense of UV emission. This indicates the thermal-induced bleaching of shallow trapping sites and the evolution of other deep trapping or recombination sites.

High carrier mobilities and broad absorption spectra in twisted and non-twisted bilayer GaN, BN, and ZnO structures

Stacking is effective in modulating the properties of two-dimensional (2D) materials, and more interesting properties exist in twisted stacking systems. The electronic and optical properties of twisted-13.17°, twisted-21.78°, and non-twisted-AA’ structures of GaN, BN, and ZnO have been studied by using first-principles. The calculated results indicate that all structures are stable, and the band gaps of the three structures are modulated effectively. Compared with the monolayer, the twisted structures of GaN, BN, and ZnO can enhance absorption peaks and broaden the absorption spectra. The carrier mobilities of the twisted and non-twisted structures have been investigated by using DP theory. The twisted-13.17° and twisted-21.78° structures of the BN exhibit much high hole mobilities along the y direction of 55.92 and 44.30 @103 cm2 V−1 s−1 respectively. The twisted-13.17° structure of ZnO exhibits much high electron mobilities of 56.81 (x direction) and 16.57 (y direction) @103 cm2 V−1 s−1. The band gap, carrier mobility, and absorption spectrum of the twisted and non-twisted GaN, BN, and ZnO stacking structures have been modulated effectively, and these stacking structures will promise important application prospects in the field of ultraviolet broadband electronic devices and photoelectric devices.

Computational study of III–V direct-gap semiconductors for thermoradiative cell applications

We investigate the performance of thermoradiative (TR) cells using the III–V group of semiconductors, which include GaAs, GaSb, InAs, and InP, with the aim of determining their efficiency and finding the best TR cell materials among the III–V group. The TR cells generate electricity from thermal radiation, and their efficiency is influenced by several factors such as the bandgap, temperature difference, and absorption spectrum. To create a realistic model, we incorporate sub-bandgap and heat losses in our calculations and utilize density-functional theory to determine the energy gap and optical properties of each material. Our findings suggest that the absorptivity of the material, especially when the sub-bandgap and heat losses are considered, can decrease the efficiency of TR cells. However, careful treatment of the absorptivity indicates that not all materials have the same trend of decrease in the TR cell efficiency when taking the loss mechanisms into account. We observe that GaSb exhibits the highest power density, while InP demonstrates the lowest one. Moreover, GaAs and InP exhibit relatively high efficiency without the sub-bandgap and heat losses, whereas InAs display lower efficiency without considering the losses, yet exhibit higher resistance to sub-bandgap and heat losses compared to the other materials, thus effectively becoming the best TR cell material in the III–V group of semiconductors.

Electrochemical performance of Yttrium doped SnO2–NiO nanocomposite for energy storage applications

Nickel Oxide, Yttrium doped SnO2 and Y:SnO2–NiO nanocomposite were prepared by facile chemical precipitation approach. The XRD investigates the crystallite size, structure and lattice parameters. The morphology of samples and confirm the interplanar spacing of 0.34 nm (1 1 0) for SnO2 and 0.24 nm (1 1 1) for NiO were studied by using HRTEM. The present of elements and oxidation states have been analyzed by FT-IR and XPS. UV–visible spectrum exhibit the red shift in energy band gap and PL spectra show the enhanced intensity of blue emission. VSM exhibit the ferromagnetism at room temperature for Y:SnO2–NiO nanocomposite. Electrochemical behaviors were investigated by EIS at room temperature. The CV curves shows pseudo capacitive nature due to quasi rectangular shape was obtained. The synthesized nanocomposite has good electrochemical performance, optical and magnetic properties and it can be suitable material for energy storage applications.

Features of the Spectroscopic Characteristics of Yttrium–Aluminum Garnets Doped with Europium at Different Concentrations

The article presents the results of measuring the luminescence spectra and luminescence excitation spectra for YAG:Eu with europium concentrations of 2, 6, 8, and 10%. The materials were synthesized by solid-phase synthesis. For samples with europium concentrations of 2, 8, and 10%, the diffraction patterns showed full agreement with the phases. However, the yttrium–aluminum–perovskite phase was present in the sample with a concentration of 6%, even though the samples were obtained under the same conditions. The spectra of the photoluminescence excitation and photoluminescence were recorded for all samples. The concentration dependences of the luminescence bands and luminescence excitation bands were also plotted. The bandgap and absorption spectra were simulated for the sample of YAG:Eu, doped with 2–4 ions of europium for comparison.

Electronic and optical properties of boron nitride nanoribbons exploiting DFT

We have used density functional theory and the SIESTA code to investigate the electronic bandgap and optical spectra of zigzag boron nitride nanoribbons n-ZBNNRs (n = 18, 22, 26, 30). The electronic structure of the simulated nanoribbons reveals that they are semiconductors with a bandgap of 4.87–4.95 eV. For energies greater than 5 eV, the real part of the dielectric function suggests that ZBNNRs are negative refractive index materials. n-ZBNNRs also have a lower static refractive index than armchair graphene nanoribbons. The fundamental reason is that the boron nitride nanoribbons have more localized electrons. The optical absorption of n-ZBNNRs (n = 18, 22, 26, 30) is anisotropic for the x, y, and z polarizations as well. Moreover, Eoptical gap18-BNNRs = 4.95 eV, Eoptical gap22-BNNRs = 4.94 eV, Eoptical gap26-BNNRs = 4.92 eV, and E optical gap30-BNNRs = 4.87 eV. The maximum optical extinction occurs at E ≈ 6–7 eV for the y polarization and E ≈ 5–6 eV for the z-direction. Besides, by around 6 eV for the y polarization (and 5 eV for the z polarization), σ is almost 1500 Ω−1 cm−1 (and 860–1500 Ω−1 cm−1). The imaginary part of the optical conductivity indicates that for the low energy range, n-ZBNNRs (n = 18, 22, 26, 30) supply the conditions of the transverse-electric mode existence. In addition, for $$E_{y} \, > \,6$$ eV and $$E_{x} \, > \,5$$ , n-ZBNNRs (n = 18, 22, 26, 30) support the transverse-magnetic plasmons.

Structural and Electrical Studies on ZnS Quantum Dots Using PEG as Capping Agent

AbstractZinc sulfide (ZnS) nanoparticles are produced in this study utilizing a simple wet‐chemical precipitation procedure using polyethylene glycol (PEG) as a capping agent. To analyze the structural, morphological, electrical, and electronic properties of the material, the ZnS nano powder is studied using X‐ray diffraction (XRD), scanning electron microscopy (SEM), FTIR, UV–visible absorption spectroscopy, and impedance spectroscopy techniques. The XRD patterns confirm the formation of the cubic phase in as‐prepared ZnS samples, whereas SEM and AFM images show the formation of prismatic and spherical morphology of nano crystallites, confirming the XRD results. FTIR spectra confirm formation of ZnS stoichiometric compound with a partial shifting of vibration bands in the presence of PEG in precursor solution. Optical band gap spectra show a blue shift of band gap with decrease in particle size. The controlled growth kinetics in the presence of PEG the ZnS synthesized nanoparticles show a better quantum confinement effect and enhancement of electrical conductivity behavior as predicted from impedance measurements. For the temperature range of the current investigation, the temperature dependence of conductivity is found to obey the Davis‐Mott model.

Quantum Anomalous Hall Phase and Time‐Reversal‐Symmetry‐Broken Quantum Spin Hall Phase on the Square–Hexagon Lattice

The topological properties of the square–hexagon lattice are studied when the time‐reversal (TR) symmetry is broken. Based on the Chern number and spin Chern number, the topological trivial and nontrivial phases can be determined. When the spin‐dependent and ‐independent staggered potentials are taken into consideration, rich phase diagrams are obtained. A number of topological nontrivial phases, including the TR‐symmetry‐broken quantum spin Hall phase and quantum anomalous Hall (QAH) phase, can be achieved by tuning the spin‐dependent staggered potential. When the spin‐independent staggered potential is varied, it is possible to observe the topological phase transition from the metal phase to the QAH phase. The evolutions of the bulk bandgap and spin spectrum gap are also presented together. To support the identification of the topological phases, helical and chiral edge states are given numerically. Moreover, the corresponding density distribution and spin polarization are analyzed and discussed.

Corrections of band gaps and optical spectra of N-doped Sb2Se3 from G0W0 and BSE calculations

Nitrogen (N) doped Sb2Se3 semiconductor material shows potential as promising candidate for solar cell application. However, accurate calculations of its basic physical properties have been lacking. In this paper, G0W0 band gap and absorption spectrum of N-doped Sb2Se3 were studied theoretically using G0W0 approximation in combination with Bethe-Salpeter Equation (BSE), which consider the effects of electron-electron (e-e) and electron-hole (e-h) interactions. These methods are chosen and converged carefully in order to yield quantitative results in agreement with experimental data. Our band structure results revealed that apart from a rigid shift of the conduction bands in the G0W0 approach the qualitative features with that obtained within bare DFT are identical. The calculated bandgap values for Sb15N1Se24, Sb14N2Se24, Sb16Se23N1 and Sb16Se22N2 with G0W0 approximation were found to be 1.02, 0.82, 0.92 and 0.81 eV, respectively. These results showed that the bandgap values reduced by substituting N atom at Se and Sb sites in comparison to the undoped Sb2Se3. Reduction of bandgap values by substituting N atoms at Sb and Se sites are in good agreement with previous works. In the BSE calculations, inclusion of e-e and e-h interactions lead to the existence of strong exciton below the G0W0 optical band gap. The value of optical gaps which corresponding to the first peak in the BSE calculations were found to be 0.89, 0.76, 0.86 and 0.76 eV for Sb15N1Se24, Sb14N2Se24, Sb16Se23N1and Sb16Se22N2 respectively. Our theoretical study of N-doped Sb2Se3 suggests that a device fabricated from this materials can be operated on a wide range of the energy scale such as solar cell and broadband photodetector.