Tunable Band Gap Research Articles

Energy band gap tuning of Ba-Ca hexagonal ferrite by Dy3+ ion substitution (0 ≤ x ≤ 0.2) to improve spectral, structural, dielectric and photocatalytic properties

In the present study, Dy3+ substituted M-type Ba0.5Ca0.5DyxFe12-xO19 (0.00 ≤ x ≤ 0.20) hexagonal ferrites were synthesized using sol-gel auto-combustion method with lemon extract as a fuel. The single hexaferrite phase with space group P63/mmc is revealed by the X-ray powder diffraction (XRD) patterns. The Field emission scanning electron microscopy (FESEM) exhibits the agglomeration of nanoplates with vacancies at some places. Energy dispersive X-ray photoelectron spectroscopy (EDAX) mapping confirmed the presence of Ba, Ca, Fe, O, and Dy in the hexaferrite. Fourier Transform Infrared (FTIR) spectroscopy exhibits two characteristic bands at 579 and 429 cm−1 corresponding to tetrahedral and octahedral metal ions-oxygen stretching, revealing the occurrence of the ferrite phase. The optical energy band gap calculated using the Tauc plots was found to increase with the increase in dysprosium substitution to fall within the range of 2.8–3.5 eV. The Raman spectra confirmed the Raman vibration modes and M-type structures of hexagonal ferrites (HFs). The dielectric constant values drop rapidly with increasing frequency up to a few KHz and then gradually for the further higher frequencies. The occurrence of Ba and Ca with 2+, while Dy, and Fe with 3+ oxidation states is confirmed using X-ray photoelectron spectroscopy (XPS). The HFs exhibit remarkable efficiency by degrading the Reactive Brown dye to 99.3 % in just 15 min, equivalent to a high degradation reaction rate constant (k) value of up to 0.0396 min−1. Consequently, the catalyst shows promising potential for environmental remediation.

Bandgap tuning for transition metal oxides via PEGylation

Abstract Bandgap engineering is controlled manipulation of the bandgap of materials/meta-materials to achieve desired properties. The electrical and optical properties of materials are significantly affected by bandgap tuning; therefore, bandgap engineering is a powerful technique for designing electronic and optoelectronic devices. Compositional engineering, strain engineering, and nanoscience and technology are the three major fields associated with bandgap engineering. Any unique combination of this engineering can provide novel strategies to produce novel band-structured devices. In this method article, we have demonstrated how solvation energy can alter the bandgap energy, a fact that is generally ignored due to misconceptions about quantum/size confinement. Here, we prepare nanostructured transition metal oxides (Co3O4, CuO, and ZnO) with polyethylene glycol (PEG), and the method is termed PEGylation. We investigate the influence of PEGylation on the structural, electrochemical, and electronic nature of these oxides. It is observed that the bandgap tunability (7.33%) is maximum for ZnO. Our study suggests that band alteration is significantly correlated with the change in lattice parameters; however, it is orientation dependent as the correlation coefficient reduces to 0.85 from 1 for the change in lattice parameter b along the y-axis compared to the other two lattice parameters. Similarly, band alteration is also known to have some correlation with the electrochemical potential, but is surprisingly almost independent of size confinement.

Hetero-Nucleation Induced [111]-Oriented Mixed Halide Perovskite for Stable Pure Red Light-Emitting Diodes.

Mixed halide 3D perovskites are promising for bright, efficient, and wide-color gamut light-emitting diodes (LEDs) due to their excellent carrier transport, high luminescence, and easily tunable bandgaps. However, serious halide ion migration inside mixed halide 3D perovskite results in poor operational and spectral stability of the as-fabricated LEDs. Here, a hetero-nucleation crystallization strategy is reported to grow [111]-orientationpreferred mixed halide 3D perovskite CsPbI3-xBrx thin films for stable pure red LEDs. This hetero-nucleation crystallization is enabled by the addition of phosphoric acid (H3PO4) complexation, which promotes the growth of small perovskite grains into large grains with uniform [111]-orientation. The obtained [111]-orientation preferred film exhibits excellent stability under light or electric field stimulus as revealed by model analysis and experimental results compared to that of [001]-orientation preferred film. Thus, based on the [111]-orientationpreferred film, the fabricated LED exhibits an external quantum efficiency of 22.8%, a maximum brightness of 12000cdm-2, and a half-life time of 4080min under 1.5mA cm-2. More importantly, the electroluminescence spectrum of the device remains stable during the continuous operation of 4080min, showcasing the significant spectral stability improvement enabled by the hetero-nucleation induced [111]-orientation strategy.

High Performance Infrared InAs Colloidal Quantum Dot Photodetector with 79% EQE Enabled by an Extended Absorber Layer

AbstractColloidal quantum dots (CQDs) with tunable bandgaps in the NIR‐SWIR range are highly valued for infrared applications including LiDAR, interactive displays, and biometrics. Particularly, for environmental considerations, photodetectors (PDs) using InAs CQDs are actively being explored. However, their performance still lags behind that of Pb‐based devices. Herein, an effective strategy to improve the photodetection characteristics of InAs CQD PDs by enhancing the incident photon usage is presented. By engineering the solvent of InAs CQD ink to increase volatility, the controllable range of absorber layer thickness is substantially extended. Then, the thickness‐ and bias‐dependent performance of InAs CQD PDs are systematically studied, guided by optical simulations. Under optimal conditions, an external quantum efficiency (EQE) of 79%, a responsivity of 0.6 AW−1–the highest reported for InAs CQD photodiodes, and a detectivity of 3.1 × 1011 Jones at 940 nm are achieved. Furthermore, it is found that increasing the absorber layer thickness reduces device capacitance, resulting in a faster response time of 46 ns. This study provides optical and electrical insights into how absorber layer thickness affects InAs CQD PD performance and outlines design principles for high‐performance optoelectronic devices with specified light‐absorbing layers, paving the way for the development of advanced optoelectronic devices.

Engrossing structural developments of double perovskites for viable energy applications

Investigation for novel functional catalysts illustrates an essential direction in advancing and researching renewable energy. On account of their specific compositional and structural tunability and remarkable stability, double perovskites have been extensively examined as a category of versatile compounds for applications in photocatalysis and electrocatalysis, highlighting them as a promising candidate for catalytic performance and stability. In this review article, we have elaborated on the tunability of double perovskites in terms of their compositions and structures, which proved to be tremendous features for double perovskites in diverse applications. Furthermore, the fabrication methods and the performance optimization comprising band gap tuning of double perovskites have been discussed. The current status of double perovskites for photocatalytic and electrocatalytic H2 production and CO2 reduction, with recent reports, has also been reviewed. Lastly, the challenges and future outlook are put forward.

Fabrication Strategies for 2D Halide Perovskite Towards Next-Generation Optoelectronic Applications

AbstractHalide perovskites have emerged as promising materials in high-performance optoelectronics due to their exceptional optoelectrical properties, such as long carrier lifetime and tunable bandgap. Despite the promising capabilities of three-dimensional (3D) halide perovskites in applications like solar cells and light-emitting diodes, their operational stability remains a critical challenge. This review focuses on quasi-two-dimensional (2D) halide perovskites, which offer enhanced stability through their reduced dimensionality. We discuss the unique properties of these materials, including the ability to modify optical and electronic characteristics by altering the organic cations and the layer number in the perovskite structure. Additionally, we review various fabrication techniques, highlighting the shift from traditional low-temperature solution processes to more advanced solid, liquid, and vapor-phase methods, which address the limitations of conventional fabrication and enhance material quality. This comprehensive review aims to provide insights into the development of stable and efficient 2D halide perovskite-based optoelectronic devices, paving the way for their integration into next-generation optoelectronic applications.

Improved Process Stability and Light Detection in Phototransistors via Inverted MoS2/a‐IGZO Heterojunction Integration

The integration of molybdenum disulfide (MoS2) with other semiconductors to form heterojunction phototransistors demonstrates potential for optoelectronic applications due to their strong interaction with light and tunable bandgaps. Conventionally, bottom‐gate phototransistors based on MoS2 and amorphous indium–gallium–zinc oxide (a‐IGZO) are fabricated by deposition of the a‐IGZO film on the gate dielectric, followed by deposition of the MoS2 film, resulting in a MoS2/a‐IGZO heterojunction. In this study, an inverted MoS2/a‐IGZO (or denoted as a‐IGZO/MoS2) heterojunction integration for bottom‐gate phototransistors, where the MoS2 film is deposited on the gate dielectric first, followed by the deposition of the a‐IGZO film, is presented. This configuration is designed to enhance the processability and electrical properties of the phototransistor. Under visible light exposure with a low optical power density of 5.3 μW cm−2, the a‐IGZO/MoS2 heterojunction phototransistor demonstrates significantly improved photoresponsivity (1.6, 2.8, and 17 A W−1 at 635, 520, and 405 nm wavelengths, respectively) compared to the MoS2 single‐channel phototransistor. Time‐dependent photoresponse measurements reveal that the a‐IGZO/MoS2 heterojunction phototransistor responds more quickly to light changes and generates a tenfold‐greater photocurrent than that of the MoS2 single‐channel phototransistor.

Tunable optical and photovoltaic performance in PTB7-based colored semi-transparent organic solar cells integrated MgF2/WO3 1D-photonic crystals via advanced light management.

This study explores the design, fabrication, and characterization of PTB7-based colored semi-transparent organic solar cells (ST-OSCs) with integrated MgF2/WO3 one-dimensional photonic crystals (1D-PCs). Integrating 1D-PCs enhanced light management by creating tunable photonic band gaps, leading to extraordinary color change and improved photon harvesting. For 1DPC5 - 425 the Average Visible Transmittance (AVT) values were 33.3%, and CIE x, y was 0.43, 0.52, for 1DPC3 - 650 AVT were 25.09% and CIE x, y was 0.23, 0.27, respectively. Thus, extraordinary color changes from blue to yellow could be achieved while keeping transparency. Thereupon, photovoltaic performance showed notable improvements, with Jsc increasing from 7.98mA/cm2 to 9.95mA/cm2 and 10.45mA/cm2 for 1DPC5 - 425 and 1DPC3 - 650, respectively. By 1D-PC integration, power conversion efficiency (PCE) reached from 3.93 to 4.90% and 5.08% for 1DPC5 - 425 and 1DPC3 - 650, respectively. The Color Rendering Index (CRI) indicated successful color tuning and acceptable rendering, with CRI of 52 and 87. The study demonstrates that 1D-PC integration significantly enhances ST-OSCs' optical and photovoltaic properties, paving the way for advanced energy-harvesting applications.

Investigation of bismuth selenide’s structural stability and tunable bandgap under exposure to acoustic shock waves for solar cell and aerospace applications

Bismuth selenide is a promising semiconductor for optoelectronics and energy conversion, including solar cells and aerospace applications. However, it degrades at high temperatures, affecting stability. According to the previous literature, we can solve this problem and easily tune under high pressure, but no reports are available for response against acoustic shock waves. To explore this, commercially available Bi2Se3 was purchased and tested under acoustic shock wave exposure. Bi2Se3 was subjected to 100, 200, 300, and 400 acoustic shock waves with 0.59 MPa transient pressure at 520 K temperature and 1.5 Mach number. Before and after shock-loaded Bi2Se3 samples were characterized using XRD, Raman, UV-DRS, PL, and FE- SEM and EDX. Under acoustic shock waves, Bi2Se3 exhibits increased crystallite size and reduced strain rate, promoting good thermal stability. It also shows a smaller bandgap and enhanced PL intensity, which ensures efficient solar cell operation. As a result, the material demonstrates improved thermal insulation and durability, which are crucial for stability and protection in extreme conditions for aerospace applications. These improvements make Bi2Se3 more suitable for solar cell and aerospace applications.

Reaction-driven restructuring of defective PtSe2 into ultrastable catalyst for the oxygen reduction reaction.

PtM (M = S, Se, Te) dichalcogenides are promising two-dimensional materials for electronics, optoelectronics and gas sensors due to their high air stability, tunable bandgap and high carrier mobility. However, their potential as electrocatalysts for the oxygen reduction reaction (ORR) is often underestimated due to their semiconducting properties and limited surface area from van der Waals stacking. Here we show an approach for synthesizing a highly efficient and stable ORR catalyst by restructuring defective platinum diselenide (DEF-PtSe2) through electrochemical cycling in an O2-saturated electrolyte. After 42,000 cycles, DEF-PtSe2 exhibited 1.3 times higher specific activity and 2.6 times higher mass activity compared with a commercial Pt/C electrocatalyst. Even after 126,000 cycles, it maintained superior ORR performance with minimal decay. Quantum mechanical calculations using hybrid density functional theory reveal that the improved performance is due to the synergistic contributions from Pt nanoparticles and the apical active sites on the DEF-PtSe2 surface. This work highlights the potential of DEF-PtSe2 as a durable electrocatalyst for ORR, offering insights into PtM dichalcogenide electrochemistry and the design of advanced catalysts.

Silver Telluride Colloidal Quantum Dot Solid for Fast Extended Shortwave Infrared Photodetector.

Extended shortwave infrared (eSWIR) photodetectors that employ solution-processable semiconductors have attracted attention for use in applications such as ranging, night vision, and gas detection. Colloidal quantum dots (CQDs) are promising materials with facile bandgap tunability across the visible-to-mid-infrared wavelengths. However, toxic elements, such as Hg and Pb, and the slow response time of CQD-based IR photodetectors, limit their commercial viability. This article presents a novel eSWIR photodetector that is fabricated using silver telluride (Ag2Te) CQDs. Effective thiolate ligand exchange enables a lower trap density and improved carrier mobility in CQD solids. Furthermore, a vertical p-n photodiode architecture with a favorable energy-level landscape is utilized to facilitate charge extraction, resulting in a fast, room-temperature-operable, and toxic-element-free CQD photodetector. The best eSWIR Ag2Te CQD photodetector exhibits a fall time of 72ns, representing the fastest response time among all prior CQD-based eSWIR photodetectors, including those containing toxic elements, such as Pb and Hg.

Magnetorheological metamaterials for active broadband tuning of vibration attenuation

We propose a class of magnetorheological metamaterial plates with tunable band gaps achieved by means of a frequency-feedback control law. This approach allows for the intelligent tracking of excitation frequencies that enables an active control of band gap bounds. The active control mechanism is implemented through intelligent local resonators integrated into a main structure which comprise a mass and a magnetorheological elastomer (MRE) sensitive to an external magnetic field. The influence of the external magnetic field on vibration attenuation is examined using the Galerkin method. Next, a closed-loop frequency feedback control strategy is employed to dynamically adjust the band gap in response to excitation frequencies. This strategy significantly broadens the effective band gap range of the metamaterial plate. Besides, we studied the effect of MRE damping on broadband vibration reduction, underscoring its pivotal role in the band gap control for our magnetorheological metamaterials.

Tunable bandgaps in an elastic meta-plate with shape memory alloy springs

In this paper, a tunable metamaterial based on shape memory alloy springs is designed, which can achieve bandgap tuning by spring's unique shape memory effect. The variation mechanism of shear modulus and geometrical parameters of shape memory alloy springs is investigated by considering a detailed phase transition mechanism. For any specific temperatures, the energy band structure and frequency response spectrum of the metamaterial are calculated by numerical simulation. And the theoretical prediction models of bandgap boundary frequency and tuning range at different temperatures are established. The experimental test of vibration transmission of metamaterial is finally presented. The results show that (1) By varying the spring's shear modulus and height, the metamaterial exhibits excellent vibration isolation characteristics and bandgap tuning in low-frequency range of 124–226Hz. (2) The bandgap boundaries and tuning ranges can be predicted by the theoretical prediction model, which shows good agreement with both the simulation results and the experimental data. (3) By artificially designing shape memory alloy springs with larger shear modulus and wire radius, smaller helix radius and number of turns, the bandgap moves to higher frequencies. The current work can provide a reference for further engineering applications with the tunable elastic/acoustic metamaterials.

Transition Metal Dichalcogenides in Electrocatalytic Water Splitting

Two-dimensional transition metal dichalcogenides (TMDs), also known as MX2, have attracted considerable attention due to their structure analogous to graphene and unique properties. With superior electronic characteristics, tunable bandgaps, and an ultra-thin two-dimensional structure, they are positioned as significant contenders in advancing electrocatalytic technologies. This article provides a comprehensive review of the research progress of two-dimensional TMDs in the field of electrocatalytic water splitting. Based on their fundamental properties and the principles of electrocatalysis, strategies to enhance their electrocatalytic performance through layer control, doping, and interface engineering are discussed in detail. Specifically, this review delves into the basic structure, properties, reaction mechanisms, and measures to improve the catalytic performance of TMDs in electrocatalytic water splitting, including the creation of more active sites, doping, phase engineering, and the construction of heterojunctions. Research in these areas can provide a deeper understanding and guidance for the application of TMDs in the field of electrocatalytic water splitting, thereby promoting the development of related technologies and contributing to the solution of energy and environmental problems. TMDs hold great potential in electrocatalytic water splitting, and future research needs to further explore their catalytic mechanisms, develop new TMD materials, and optimize the performance of catalysts to achieve more efficient and sustainable energy conversion. Additionally, it is crucial to investigate the stability and durability of TMD catalysts during long-term reactions and to develop strategies to improve their longevity. Interdisciplinary cooperation will also bring new opportunities for TMD research, integrating the advantages of different fields to achieve the transition from basic research to practical application.

Structural and Optical Properties of Nickel-Doped Zinc Sulfide.

In this study, undoped and Ni-doped ZnS nanoparticles were fabricated using a hydrothermal method to explore their structural, optical, and surface properties. X-ray diffraction (XRD) analysis confirmed the cubic crystal structure of ZnS, with the successful incorporation of Ni ions at various doping levels (2%, 4%, 6%, and 8%) without disrupting the overall lattice configuration. The average particle size for undoped ZnS was found to be 5.27 nm, while the Ni-doped samples exhibited sizes ranging from 5.45 nm to 5.83 nm, with the largest size observed at 6% Ni doping before a reduction at higher concentrations. Fourier-transform infrared (FTIR) spectroscopy identified characteristic Zn-S vibrational bands, with shifts indicating successful Ni incorporation into the ZnS lattice. UV-visible spectroscopy revealed a decrease in the optical band gap from 3.72 eV for undoped ZnS to 3.54 eV for 6% Ni-doped ZnS, demonstrating tunable optical properties due to Ni doping, which could enhance photocatalytic performance under visible light. Scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX) analyses confirmed the uniform distribution of Ni within the ZnS matrix, while X-ray photoelectron spectroscopy (XPS) provided further confirmation of the chemical states of the elements. Ni doping of ZnS nanoparticles alters the surface area and pore structure, optimizing the material's textural properties for enhanced performance. These findings suggest that Ni-doped ZnS nanoparticles offer promising potential for applications in photocatalysis, optoelectronics, and other fields requiring specific band gap tuning and particle size control.

Composite metastructure with tunable ultra-wide low-frequency three-dimensional band gaps for vibration and noise control

Low-frequency vibration and noise control present enduring engineering challenges that garner extensive research attention. Despite numerous active and passive control solutions, achieving multiple ultra-wide attenuation regions remains elusive. Addressing vibration and noise control across a multidirectional broad low-frequency spectrum, three-dimensional metastructures have emerged as innovative solutions. This study introduces a novel three-dimensional composite metastructure featuring multiple ultra-wide three-dimensional complete band gaps. The research emphasizes the design strategy of elastic ligaments to achieve multiple ultra-wide attenuation regions spanning from 0.7 to 40 kHz. The band structures are elucidated through modal analysis and further substantiated by an analytical model based on a spring-mass chain with an additional resonator. The underlying physical mechanism for the formation of multiple ultra-wide band gaps is revealed through novel vibration modes from finite element analyses. Furthermore, we demonstrate that the distribution and the relative width of the ultra-wide band gaps can be tuned by modifying the geometric parameters of the metastructure. Utilizing additive manufacturing, prototypes are fabricated, and low-amplitude vibration tests are conducted to evaluate real-time vibration attenuation properties. Consistency is observed among theoretical, numerical, and experimental results. The proposed structure shows significant potential for high-performance meta-devices aimed at controlling noise and vibration across an extremely wide low-frequency spectrum.

Defect passivation engineering for achieving 4.29% light utilization efficiency MA-free wide-bandgap semi-transparent perovskite solar cells

Wide-bandgap perovskite materials are a great candidate for semitransparent perovskite solar cells (ST-PSCs) due to their tunable bandgap, outstanding transparency, and excellent photovoltaic performance. Though Br-rich perovskite can widen the bandgap, Br influences the crystallization dynamic speed leaving small perovskite grain sizes and high defects. Surface passivation engineering has been one of the best choices to suppress defects caused by the rapid crystallization of Br-rich perovskites. Herein, we applied MA-free perovskite as a light absorber because of the erratic thermal aging of MA-containing perovskites and selected phenethylammonium iodide (PEAI) and 4-trifluoro phenylethylammonium iodide (CF3PEAI) as passivation materials for improving the performance of opaque PSCs and ST-PSCs. Consequently, CF3PEA possesses a larger dipole moment. It has been demonstrated to exhibit a stronger binding energy with the substrate than PEA by density functional theory (DFT) calculations. This enhanced molecular interaction underpins the performance improvements in our solar cells, which manifests as an inverted planar structure opaque PSCs with 1.78 eV bandgap achieve a power conversion efficiency (PCE) of 17.09 % with excellent stability. A PCE of 17.17 % with 25 % average visible-light transmittance (AVT) and 4.29 % light utilization efficiency (LUE) of ST-PSCs is achieved by further optimizing the fabrication process of the buffer layer for protecting the perovskites from the damage of ITO sputter. Meanwhile, a four-terminal tandem solar cell with ST-PSC and silicon-based passivated emitter rear cell (PERC) obtains a PCE of 26.28 %. This work provides a feasible way to fabricate high-performance ST-PSCs with limited materials and preparation conditions.

Intermolecular naphthylamine cyclization–based synthesis of bandgap-modulated carbon dots for multicolor light-emitting diodes

Owing to their tunable optical properties, N-doped carbon dots (CDs) have a broad scope of optoelectronic applications. However, the difficulty of precisely controlling nitrogen incorporation limits our understanding of its impact on CD electronic structure and emission behavior. To address this gap, N-doped CDs with tunable bandgaps are herein synthesized via the solvothermal carbonization of 1-naphthylamine in the presence of a controlled amount of nitric acid to obtain single-source emitters with two distinct emission wavelengths. The amount of nitric acid determines the extent of nitrogen incorporation through the intermolecular cyclization of 1-naphthylamine and, hence, the proportions of pyrrolic/pyridinic N-heterocycles (red emission, ∼600 nm) and polycyclic aromatic hydrocarbons (blue emission, ∼400 nm). For a practical utility demonstration, the prepared N-doped CDs are used to fabricate high-color-purity multicolor light-emitting diodes. By establishing a correlation between nitrogen incorporation modes and photophysical properties, this study paves the way for the rational design of advanced N-doped CDs for next-generation optoelectronic devices.

Multi-cation doped CuCrO[formula omitted] crystallite matrix: Exploring bandgap tunability through Ni-Zn and Ni-Zn-Mg doping for optoelectronic application

Bandgap tuning is a key approach to optimizing materials for advanced technologies, enabling the development of more efficient and specialized devices. In this study, we demonstrate the tunability of the bandgap of CuCrO2 from 2.38 to 4.37 eV via single cation-doping with Ni and Zn, and multi-cation doping with Ni-Zn and Ni-Zn-Mg. XRD analysis reveals structural changes due to lattice distortions by cationic substitution, while FESEM shows the impact of doping on particle size, surface morphology, and crystallinity. The lamellar structure observed with multi-cation doping in FESEM investigations indicates increased structural disorder and defects, causing tailing above the valence band and below the conduction band, significantly reducing the bandgap. The effect of Zn-Ni doping on the lattice is reversed with Mg2+ insertion due to p-p orbital interactions between Mg2+-O, replacing the d-p interaction in the Cr3＋-O bond, as confirmed by optical studies. UV–Vis and photoluminescence analyses reveal significant shifts in bandgaps and emission spectra, with Ni doping yielding a bandgap of 3.97 eV, Zn doping 3.16 eV, Zn-Ni doping expanding it to 4.37 eV, and Zn-Ni-Mg doping reducing it to 2.38 eV. The dopants also affect emission characteristics, including band edge and deep-level emissions. This study provides valuable insights into the relationship between cationic doping and material properties, guiding the design of CuCrO2-based materials with tailored functionalities.

Study on the tunable band gap of LiNaPb2Br6 superlattice and its optical properties

The property changes between APbBr3 (A = Li, Na) and LiPbBr3/NaPbBr3 superlattice (LiNaPb2Br6), as well as the electronic structure and optical properties of LiNaPb2Br6 under various pressures, have been investigated using the GGA-PBE method based on first-principles. The research shows that the band gap (Eg) value of LiNaPb2Br6 is 1.674 eV at 0 GPa, which is between that of LiPbBr3 and NaPbBr3. Meanwhile, the results indicate that the Eg of LiNaPb2Br6 gradually decreases with the increase in pressure, reaching 0.080 eV at 7 GPa, and its valence band top crosses the Fermi level at 8 GPa. Therefore, by combining the construction of superlattices with the application of pressure, the Eg of LiNaPb2Br6 can be continuously regulated in the range of 0–1.674 eV. Since the optical properties of a material primarily depend on its band structure, the optical properties of LiNaPb2Br6 can be widely adjusted by continuously tuning the Eg of this superlattice. The calculated results demonstrate that the optical properties of LiNaPb2Br6 were optimized in comparison to APbBr3 (A = Li, Na). In addition, the increase in pressure improves the absorption capability of LiNaPb2Br6 in both the visible and ultraviolet regions, thereby expanding the potential applications of LiNaPb2Br6 in the optical field.