Direct Gap Research Articles

Novel superhard orthorhombic O12 carbon: a first principle study

Abstract In this study, a new orthorhombic carbon structure with Ama2 symmetry, designated as O12 carbon, has been predicted on basis of the first-principles method. The thermal stability and dynamic stability of O12 carbon were evaluated and confirmed by combining ab initio molecular dynamics and phonon spectra analyses. Meanwhile, the mechanical properties of O12 carbon, compared with other superhard carbon allostrope like diamond, M-carbon, Bct-c4 and Cco-C8, have also been systematically investigated. With a bulk modulus of 351 GPa, a shear modulus of 333 GPa, and a Vickers hardness of 53 GPa, O12 carbon is identified as a superhard material of significantly technological and industrial applications. The existence of elastic anisotropy in O12 carbon has also been confirmed. The electronic band structure calculations have revealed that O12 carbon exhibits a semiconductor characteristic with a direct band gap of 2.5 eV, making it promising candidate in electronic applications. Additionally, the XRD spectra of O12 carbon were obtained to offer further insights for potential experimental observations. Our findings enrich the family of carbon structure and are expected to stimulate additional experimental interest.

Synthetic Control of Water-Stable Hybrid Perovskitoid Semiconductors.

Hybrid metal-halide perovskites and their derived materials have emerged as the next-generation semiconductors with a wide range of applications, including photovoltaics, light-emitting devices, and other optoelectronics. Over the past decade, numerous single-crystalline perovskite derivatives have been synthesized and developed. However, the synthetic methods for these derivatives mainly rely on acidic crystallization conditions. This approach leads to crystals comprising metal halide building blocks, which show problematic stability when directly exposed to water. In this study, a methodology is developed for synthesizing hybrid metal-halide compounds using lead iodide and the zwitterionic bifunctional molecule cysteamine (CYS), to form various perovskitoid structures under a broad pH range. Interestingly, the different pH conditions alter the coordination environment of lead halides, leading to lead-sulfide and lead-nitride covalent bond formation. This modification significantly enhances their stability when in direct contact with water, lasting for months. Photoluminescence measurements and first principal density functional theory (DFT) calculations reveal that the perovskitoids synthesized under basic and acidic pH conditions exhibit a direct bandgap nature, while those synthesized under neutral conditions display an indirect bandgap. This approach opens new avenues for manipulating synthetic methods to develop water-stable hybrid semiconductors suitable for a wide range of applications, such as solid-state light emitters.

Tunable electronic and optical properties of BAs/InS heterojunction based on first-principles calculations.

The geometric structure, electronic properties, and optical characteristics of BAs/InS heterostructures are investigated in the present study through the first-principles calculations of Density Functional Theory (DFT). The analysis shows that H1-stacking BAs/InS heterostructures with an interlayer distance of 3.6 Å have excellent stability compared with monolayer materials. Furthermore, this heterostructure is classified as a Type-II heterostructure, which promotes the formation of photo-generated electron-hole pairs. The band alignment, direction and magnitude of electronic transfer in BAs/InS heterostructures can be fine-tuned by applying the external electric field and stress, which can also induce a transition from Type-II to Type-I behavior, the indirect bandgap to direct bandgap also occurs. Moreover, absorption coefficient of the heterostructure can also be moderately enhanced and adjusted by external electric fields and stress. These findings suggest that BAs/InS heterostructures have potential applications in photoelectric detectors and laser technology.&#xD.

Tunable electronic and optoelectronic characteristics of two-dimensional g-GeC monolayer: a first-principles study

Two-dimensional (2D) semiconductor materials have emerged as one of the hotspots in recent years due to their potential applications in beyond-Moore technologies. In this work, we systematically investigate the electronic and optoelectronic properties of the g-GeC monolayer combined with strain engineering using first-principles calculations. The results show that g-GeC monolayer possesses a suitable direct bandgap and a strain-tunable electronic structure. On this basis, the designed g-GeC monolayer-based two-probe photodetector exhibits a robust broadband optical response in the visible and near-ultraviolet ranges, along with significant polarization sensitivity and high extinction ratio. In addition, strain engineering can greatly improve the optoelectronic performance of the g-GeC-based photodetector and effectively tune its detection range in the visible and near-ultraviolet regions. These findings not only deepen the comprehension of g-GeC nanosheet but also provide the possibility of its application in nano-optoelectronic devices.

Pressure-induced band gap enhancement and temperature-dependent thermoelectric characterization of semiconducting Transition Metal Chalcogenides LiMS (M = Cu, Ag)

The first principles study of Transition Metal Chalcogenides LiMS (M = Cu, Ag) has been conducted utilizing the concepts of Density Functional Theory (DFT). Both the compounds possess a cubic structure with space group F-43m. The mechanical stability of LiCuS and LiAgS has been predicted based on the values of elastic tensor. These Chalcogenides possess an interesting electronic band structure which reveals their semiconducting nature with a direct band gap. The electronic structure is further subjected to high pressure and the changes in band gap are deeply observed. For these materials, the changes in band gap in response to applied pressure suggest the possibility of their use in band gap engineering. The phonon curves are investigated over the Brillouin zone's high symmetry directions which reveal the lattice dynamical stability of the presently studied compounds. Moreover, the atoms present at different positions inside a crystal lattice exhibit vibrations of different intensities and in different directions which have been studied through the Eigenvector representations. The thermoelectric properties of LiCuS and LiAgS have been characterized using Boltzmann's theory over the range of temperature between 100 K and 1600 K. The calculated thermoelectric parameters reveal the high thermoelectric efficiency of these materials with excellent values of the figure of merit. The interesting properties of ternary Chalcogenides LiMS (M = Cu, Ag) make them promising candidates for thermoelectric applications.

“Sunlight-driven catalytic degradation of MB dye and multi-cycle Re-usability analysis of Cu2-xSe nanoparticles”

One of the best ways to remove organic dyes based contaminant from water resources and industrial waste water is the sunlight driven photo-catalytic degradation method. The theme of the present investigation is the photocatalytic degradation of methylene blue (MB) dye using economically produced Cu2-XSe nanoparticles (NPs) catalyst under solar radiations. The Cu2-XSe NPs crystallized in the cubic structural phase with an average crystallite size around 19 nm. The direct band gap was found to be 2.1 eV. The PL spectra and corresponding CIE diagram show the Cu2-xSe NPs emitted yellow color. The SEM micrographs show that the small grains staked over others to form large grains or patches. The FTIR and EDX spectra confirmed the formation of Cu2-XSe NPs. The obtained optimum photocatalytic degradation efficiency for Cu2-XSe NPs is 90.3 %. For first cycle analysis. The pseudo-first order and second order models were used to analyze the kinetic data of Cu2-XSe NPs for varying concentrations. The multiple-cycle degradation analysis by catalyst of MB dye in one day spam for continuous four cycles were also analysed and discussed. The sun light driven multi-cycle catalytic degradation confirms the re-usability of Cu2-xSe NPs for the treatment of industrial waste water and other contaminated water bodies for the survival of aquatic life and for saving environment.

Tailoring the Structural and Optical Properties of Oxychloride Magnesium Tellurite Glass with the Addition of Samarium Ions

In this study, samarium-doped oxychloride magnesium tellurite glass with composition (79−x)TeO2−xMgO−20Li2O−1Sm2O3 (Series 1) and (79−x)TeO2xMgCl2−20Li2O−1Sm2O3 (Series 2) with 0 ≤ x ≤ 15 mol% was prepared by the melt-quenching technique. The structural and optical properties of synthesized samples were investigated, and the XRD results dictated an amorphous nature for both samples. The glass density of both Series 1 and 2 decreased with increasing MgO and MgCl2 content. However, the molar volume behaves in a completely opposite manner to an increase in MgO or MgCl2 content. FTIR spectra revealed from the vibrational wavenumber shift of TeO4 and TeO3 structural units showed a significant rise in HOH vibration mode, which implies its usefulness in boosting water and light absorption. Four absorbance bands were observed via UV-Vis NIR, while the indirect optical band gap around (3.42–3.36) eV and (3.42−3.30) eV for Series 1 and Series 2 were observed from UV-Vis spectroscopy. The emission spectra from the photoluminescence study revealed four distinct bands centered at 562.54, 599.14, 645.63 and 708.40 nm which are attributed to the transition from 4G5/2 – 6HJ/2 (J = 5,7,9,11) of states of Sm3+. The optimum glass with a composition of TeO-MgO 15% demonstrates a high potential for optical device development.

Preparation and Characterization of Au Quantum Dots Using Laser in Benzene and Study of the Pulse Energy effect on Quantum Size

Here, findings from a study on pulsed laser ablating of noble Au targets submerged in benzene solvent and a study on the effect of pulse energy on quantum size are presented. Three samples of gold quantum dots (AuQDs) are synthesized at pulse fluence of 4, 8, and 12 J/cm2, which is referred to as F1, F2, and F3, respectively. The prepared AuQDs were characterized by UV-Vis, HR-TEM, XRD, XPS, EDX, FTIR, Raman spectroscopy and Photoluminescence measurement. AuQDs that were synthesized have monocrystalline and cubic (FCC) structure, according to XRD patterns. It was found that the direct optical energy gap of AuQDs is enhanced to 2.6 eV. The emission peak of AuQDs photoluminescence emission spectra is at roughly 481, 445, and 437 nm, for F1, F2, F3 samples, respectively. The quantum size was reduced to 2 nm for sample F3. This strategy has the ability to prepare pure AuQDs in one step, with promising biosensor and bioimaging applications.

Electronic structure, phonons, and born effective charges in CuLaO2: A first-principles study

This study presents a first-principles investigation of the structural, electronic, dielectric, and dynamical properties of CuLaO2 in its rhombohedral delafossite phase using density functional theory. Our analysis reveals that CuLaO2 is a stable indirect band gap semiconductor with a 2.35 eV band gap, showing significant Cu (3d, 4s) and O (2p) orbital hybridization. Phonon dispersion calculations confirm dynamical stability with no imaginary frequencies, and the material exhibits anisotropic dielectric behavior due to mixed ionic-covalent bonding. These findings suggest that CuLaO2 has potential applications in optoelectronics and energy technologies, providing a theoretical basis for future experimental validation.

Bandgap Characteristics of Boron-Containing Nitrides—Ab Initio Study for Optoelectronic Applications

Hexagonal boron nitride (h-BN) is recognized as a 2D wide bandgap material with unique properties, such as effective photoluminescence and diverse lattice parameters. Nitride alloys containing h-BN have the potential to revolutionize the electronics and optoelectronics industries. The energy band structures of three boron-containing nitride alloys—BxAl1−xN, BxGa1−xN, and BxIn1−xN—were calculated using standard density functional theory (DFT) with the hybrid Heyd–Scuseria–Ernzerhof (HSE) function to correct lattice parameters and energy gaps. The results for both wurtzite and hexagonal structures reveal several notable characteristics, including a wide range of bandgap values, the presence of both direct and indirect bandgaps, and phase mixing between wurtzite and hexagonal structures. The hexagonal phase in these alloys is observed at very low and very high boron concentrations (x), as well as in specific atomic configurations across the entire composition range. However, cohesive energy calculations show that the hexagonal phase is more stable than the wurtzite phase only when x > 0.5, regardless of atomic arrangement. These findings provide practical guidance for optimizing the epitaxial growth of boron-containing nitride thin films, which could drive future advancements in electronics and optoelectronics applications.

Elevating NIR photonic integration with tantalum-niobium pentoxide

In this study, we present a novel material platform based on tantalum-niobium pentoxide (TaNbO5) for integrated photonics applications. TaNbO5 demonstrates exceptional attributes suitable for both linear and nonlinear optics across a wide range of near-infrared wavelengths. Our analysis of the TaNbO5 unit cell revealed crucial lattice parameters and a direct band gap value of 2.268 eV. At a wavelength of 1550 nm, TaNbO5 exhibits a refractive index of 2.22, an extinction coefficient of 5.24 × 10−4, and other optical properties. We determine a 0.8 μm cut-off core width for single-mode TaNbO5 waveguides, which achieve efficiencies exceeding 99% for single-mode configurations and 98% for multimode structures. When coupled with conventional waveguides, TaNbO5 waveguides demonstrate excellent transmission characteristics. Notably, at a wavelength of 1.55 μm, the single-mode waveguide exhibits minimal excess loss. These findings highlight the significant potential of TaNbO5 waveguides for various near-infrared applications, emphasizing their versatility and promising performance.

Highly Polarization‐Sensitive Solar‐Blind Ultraviolet Photodetection Based on 1D Rb2CuCl3 Microwires

AbstractPolarization‐sensitive solar‐blind ultraviolet (UV) photodetectors are essential in both civilian and military applications. 1D perovskites derivative Rb2CuCl3 holds promise for polarization‐sensitive solar‐blind UV photodetectors due to its wide direct bandgap, anisotropic crystal structure, and long carrier lifetime. However, no studies on the polarization properties of Rb2CuCl3 are reported. Here, the electronic structural anisotropy of Rb2CuCl3 is confirmed by calculating the partial charge density distribution in the ac‐plane and bc‐plane. Then, the Raman‐active modes and corresponding atomic vibration modes are explored within the bc‐plane through joint experimental and theoretical Raman spectroscopy. Besides, angle‐resolved Raman, photoluminescence, and absorption spectroscopy reveal the intriguing anisotropic photoelectric characteristics of Rb2CuCl3 microwires (MWs). By using single Rb2CuCl3 MW as the photoactive layer, a polarization‐sensitive solar‐blind UV photodetector is fabricated, showing high photoresponsivity of 78 mA W−1 and photocurrent anisotropy ratio of ≈1.7 at 265 nm. Importantly, the proposed photodetectors without encapsulation exhibit excellent stability in ambient air, retaining the original photocurrent after two months, showcasing practical applicability. This study underscores the promise of Rb2CuCl3 for high‐performance polarization‐sensitive solar‐blind UV photodetectors, contributing valuable insights into its electronic structure, photoelectric properties, and practical applicability.

Van der Waals ZnO/HfSn2N4 Heterojunction with Exceptional Photoresponse for Photodetectors.

Two-dimensional van der Waals heterojunctions represent a promising avenue for a spectrum of optoelectronic endeavors. Nonetheless, their deployment has been somewhat constrained by the suboptimal efficiency of the photocurrent generated. In this article, a ZnO/HfSn2N4 heterojunction is proposed to achieve high photoresponse efficiency. First-principles calculations are utilized to confirm that this heterojunction possesses thermal stability with a direct bandgap (1.36 eV). It exhibits a high light absorption coefficient and high carrier mobility (2.51 × 103 cm2 V-1 s-1), and biaxial strain has a significant effect on the modulation of the band structure. As the tensile strain increases, the bandgap changes nonlinearly, transitioning from a type-II to a type-I heterojunction. When compressive strain increases, the bandgap decreases. Quantum transport simulations are employed to calculate the density of states and transmission spectrum of the ZnO/HfSn2N4 model, verifying its excellent photoresponse (a photocurrent peak reaching 4.93 a02/photon and an extinction ratio peak of 75.1). It shows that the ZnO/HfSn2N4 heterojunction is a potentially efficient photodetector.

Switchable Photovoltaic Effect and Robust Nonlinear Optical Response in a High-Temperature Molecular Ferroelectric [C8N2H22][PbI4

Hybrid organic-inorganic molecular ferroelectrics (HOIMFs) have garnered significant attention for their potential applications in nonvolatile memory and spintronic devices. However, few efforts have been devoted to the photoelectric properties of lead halide molecular ferroelectrics, despite the fact that robust ferroelectricity and flexibility are desirable for thin-film photoelectric devices. Herein, we present a novel lead halide molecular ferroelectric [C8N2H22][PbI4] (1) synthesized hydrothermally. A polar monoclinic structure of 1 was solved by single-crystal X-ray diffraction and second-harmonic generation (SHG) tests. A direct band gap of 2.36 eV was confirmed by UV-vis spectrum and theoretical calculation. Hysteresis measurements demonstrated inherent room-temperature (RT) ferroelectricity in 1 with a spontaneous polarization (Ps) of 3.2 μC/cm2. The 1-based photoelectric device shows a notable photovoltaic (PV) effect with Voc ∼ 0.27 V, Jsc ∼ 38 nA/cm2 under AM 1.5 G illumination, and a rapid response time of ∼1.5 ms. A considerable enhancement in PV performance has been achieved by adjusting the ferroelectric polarization, resulting in a maximum Voc ∼ 0.75 V, Jsc ∼ 2.28 μA/cm2. Notably, 1 exhibits a rather large SHG signal, which is approximately 2.61-fold higher than that of KH2PO4 (KDP) upon a 1064 nm laser radiation. This study offers a bright avenue for lead halide molecular ferroelectrics as promising optoelectronic devices and SHG materials.

Investigating the Impact of Stress on the Optical Properties of GaN-MX2 (M=Mo, W; X=S, Se) Heterojunctions Using the First Principles

This study used the first-principles-based CASTEP software to calculate the structural, electronic, and optical properties of heterojunctions based on single-layer GaN. GaN-MX2 exhibited minimal lattice mismatches, typically less than 3.5%, thereby ensuring lattice coherence. Notably, GaN-MoSe2 had the lowest binding energy, signifying its superior stability among the variants. When compared to single-layer GaN, which has an indirect band gap, all four heterojunctions displayed a smaller direct band gap. These heterojunctions were classified as type II. GaN-MoS2 and GaN-MoSe2 possessed relatively larger interface potential differences, hinting at stronger built-in electric fields. This resulted in an enhanced electron–hole separation ability. GaN-MoSe2 exhibited the highest value for the real part of the dielectric function. This suggests a superior electronic polarization capability under an electric field, leading to high electron mobility. GaN-MoSe2 possessed the strongest optical absorption capacity. Consequently, GaN-MoSe2 was inferred to possess the strongest photocatalytic capability. The band structure and optical properties of GaN-MoSe2 under applied pressure were further calculated. The findings revealed that stress significantly influenced the band gap width and light absorption capacity of GaN-MoSe2. Specifically, under a pressure of 5 GPa, GaN-MoSe2 demonstrated a significantly narrower band gap and enhanced absorption capacity compared to its intrinsic state. These results imply that the application of stress could potentially boost its photocatalytic performance, making it a promising candidate for various applications.

DFT investigation of thermodynamic, electronic, optical, and mechanical properties of XLiH3 (X= Mg, Ca, Sr, and Ba) hydrides for hydrogen storage and energy harvesting

The present study investigates the hydrogen storage capacity and physical properties of the perovskite hydrides XLiH3 (X = Mg, Ca, Sr, and Ba). The studied compounds MgLiH3, CaLiH3, SrLiH3, and BaLiH3 have lattice constants 3.76, 4.29, 4.64, and 5.04 Å, respectively. These compounds are also observed to be stable in cubic phase under atmospheric pressure and temperature conditions. They have hydrogen storage capacities 8.76 wt%, 5.99 wt%, 3.07 wt%, and 2.03 %, respectively. The SrLiH3 compound has the greatest Debye temperature (θD) of 344.41 K. The analysis of the electronic band structure and density of states reveals that perovskite hydrides have semiconducting characteristics with indirect band gap values of 2.66, 2.34, 1.94, and 1.37 eV, respectively. The materials are semiconductors and have suitable band gaps to be utilized in optical devices. Therefore, the optoelectronic properties of dielectric constants, absorption, and energy loss have been determined to predict the potential of materials for optoelectronic applications. Furthermore, the elastic constants, moduli, and anisotropy are also calculated for the observed materials. The Possion and Pugh ratios indicate these compounds exhibit ductile behaviour and significant anisotropy. Therefore, large values of hydrogen capacities, stabilities, and extraordinary physical behaviour make them important for hydrogen storage systems.

The impact of stress and interface composition on the study of CsF/CsPbX3 inorganic perovskite heterojunctions

In this paper, using first-principles calculations, we have shown that the electronic properties of the CsF/CsPbX3 (X = Cl, Br, I) heterojunctions can be effectively modulated by applying in-plane strain. The CsF/CsPbX3 heterojunction structures exhibit low-lattice mismatch ratios (Cl-Br-I, 3.6 %-1.8 %-4.3 %). Pb²⁺ and F⁻ attract each other to form PbF2, Cs+ and X−attract each other to form CsX. The binding energies are -0.578, -0.406, and -0.723 eV (Cl, Br and I), respectively, indicating that CsF/CsPbI3 exhibits the superior stability. Three heterojunctions are direct band gap semiconductors and the band gaps increase compared to inorganic perovskites (ΔEg:CsPbCl3CsPbBr3CsPbI3, 0.640–0.652–0.601 eV). The partial density of states indicates that the band gap contribution is related the [PbX3]− octahedron and F−. It is evident from the absorption spectra that the interaction of the CsF/CsPbX3 heterojunctions produces a blue shift. By combining multiple layers of CsF and CsPbX3, an overall broad spectral response can be achieved. The optical parameters of CsF/CsPbX3 are consistent with the changes in the band gap. This study demonstrates that CsF can enhance the stability adjust of the spectral response range of inorganic perovskite sensors, and improve the optical absorption performance. The study provides valuable theoretical guidance for the research of high-performance CsF/CsPbX3 heterojunction sensors.

Structure prediction of stable sodium germanides at 0 and 10 GPa

In this paper we used random structure searching (AIRSS) to carry out a systematic search for crystalline Na-Ge materials at both 0 and 10 GPa. The high-throughput structural relaxations were accelerated using a machine-learned interatomic potential (MLIP) fit to density-functional theory (DFT) reference data, allowing ∼1.5 million structures to be relaxed. At ambient conditions we predict three new Zintl phases, Na3Ge2,Na2Ge, and Na9Ge4, to be stable and a number of Ge-rich layered structures to lie in close proximity to the convex hull. The known NaδGe34 clathrate and Na4Ge13 host-guest structures are found to be relatively stabilized at higher temperature by vibrational contributions to the free energy. Overall, the low-energy phases exhibit exceptional structural diversity, with the expected mixture of covalent and ionic bonding confirmed using the electron-localization function (ELF). The local Ge structural motifs present at each composition were determined using smooth overlap of atomic positions (SOAP) descriptors and the Ge-K edge was simulated for representatives of each motif, providing a direct link to experimental x-ray absorption spectroscopy (XAS). Two Ge-rich phases are predicted to be stable at 10 GPa; NaGe3 and NaGe2 have simple kagome and simple hexagonal Ge lattices respectively with Na contained in the pores. NaGe3 is isostructural with the MgB3 and MgSi3 family of kagome superconductors and remains dynamically stable at 0 GPa. Removing the Na from NaGe2 results in the hexagonal lonsdalite Ge allotrope, which has a direct band gap. Published by the American Physical Society 2024

Innovative synthesis and forensic applications of bio-mediated SrO–MgO–In[formula omitted]O[formula omitted] nanocomposites with blue photoluminescence

The first of its kind Strontium oxide–Magnesium Oxide–Indium oxide (SMI) nanocomposites were synthesized utilizing a bio-mediated method with Euphorbiatirucalli latex as a reducing agent, followed by calcination. Synthesis of SMI NCs is confirmed by Bragg reflections of SrO, MgO, and In2O3, among them peaks belonging to In2O3 are observed to be prominent. The crystallite size, and other parameters like dislocation density, strain, structural factor, and crystallinity were estimated. Due to lower surface energy and the adhesion of particles with weak forces, morphology of the surface contains a larger degree of agglomeration. The direct energy band gap was determined to be 3.18 eV. Furthermore, the PL (photoluminescence) emission spectra, CIE, and CCT coordinates strongly indicate high-intensity emission in the region of blue color. Dusting of powder reveals latent fingerprints. Synthesized SMI nanocomposite exhibits highly-resolved patterns in the form of ridges used to analyze specific latent fingerprints with clarity. Thus, the recently synthesized nanocomposite may have been used in forensics, fluorescence labeling, and blue light emission.

Visible-Light Photodetection by Zero-Dimensional Hybrid Indium-Halide with Minimal Structural Distortion and Reduced Band Gap.

Perovskite-inspired zero-dimensional (0D) hybrid halides exhibit impressive light emission properties; however, their potential in photovoltaics is hindered by the absence of interconnection between the inorganic polyhedra, leading to acute radiative recombination and insufficient charge separation. We demonstrate that incorporating closely-spaced dissimilar polyhedral units with minimal structural distortion leads to a remarkable enhancement in visible-light photodetection capability. We designed 0D C24H72N8In2Br14 (HIB) with a tetragonal crystal system, replacing the Cs+ of Cs2InBr5.H2O (CIB) with 1,6-hexanediammonium (HDA) cation. HIB comprises [InBr6]3- octahedra, and [InBr4]- tetrahedra units spaced 3.9 Å apart by the HDA linker. The [InBr4]- unit is additionally linked to HDA via intercalated bromine through hydrogen and halogen bonding interactions, respectively. This structural arrangement lowers the dielectric confinement, thereby enhancing carrier density and mobility, and increasing the diffusion coefficient compared to CIB. With 3.6 % bromine vacancy within the [InBr4]- block, mid-gap states are created, reducing the direct band gap to 2.19 eV. HIB demonstrates an unprecedently high responsivity of 9975.9±201.6 mA W-1 under 3 V potential bias at 485 nm wavelength, among low-dimensional hybrid halides. In the absence of potential bias, the self-powered photodetection parameters are 81.2±3.0 mA W-1 and (6.98±0.21)×109 Jones.