Positions Of Energy Levels Research Articles

Energy band management of corn-like ZnO/Ag2S heterojunctions for efficient light harvesting and enhanced photocatalysis.

Corn-like ZnO/Ag2S heterojunctions are designed and prepared by the solvothermal method and the subsequent covering process. They construct a type II core-shell heterojunction structure. This structure adjusts the relative positions of electron energy levels and generates a strong and broad absorption band, while emitting weak visible light. It also facilitates the transfer of photoexcited carriers through the interface and the confinement of the same by the different components of the nanostructure. Separation of electrons and holes makes them possible to drift to the surface of ZnO and Ag2S and to participate in the redox reactions. In addition, the presence of many defects produces many active sites on the surface of the lattice. So, the ZnO/Ag2S heterojunctions exhibit excellent photocatalytic properties in the first and second cycles of the photocatalytic process. It degrades 97.7% Rhodamine B only in 18min. This study plays a significant role in promoting visible light catalysis, the efficiency of wastewater treatment technology, and the water environment on the earth.

Highly selective photocatalytic oxidation of CH4 to CH3OH: A theoretical study

Photooxidation of methane (CH4) in aqueous solution to generate high-value organic compounds is an effective way to replace traditional industrial methods. It is crucial to select catalysts that can avoid competitive reactions and achieve high selectivity. Using first principles calculations, a novel one-dimensional (1D) Ti3C2O2 nanoribbon (NR)/two-dimensional (2D) monolayer MoS2 (MS) heterojunction photocatalyst was ingenious designed in this work, which can achieve the oxidation of CH4 molecules and suppress the execution of competitive reactions. The results indicate that the constructed 1D NR exhibits semiconductor properties and its energy level position meet the requirements of photocatalytic oxidation for CH4. The heterojunction structure composed of NR and MS forms an efficient S-Scheme electron transfer mechanism under illumination, which not only provides sufficient internal driving force for CH4 oxidation, but also effectively avoids the competitive reaction between water molecules and photo-generated holes. Specifically, the photocatalysts exhibits high selectivity and low reaction overpotential for the generation of methanol (CH3OH). This study provides a new perspective for photocatalytic CH4 oxidation and demonstrates the potential application value of 1D MXene in the future field of photocatalysis.

High Efficiency Non‐Doped Organic Light Emitting Diodes Based on Pure Organic Room Temperature Phosphorescence by High‐Lying Singlet Exciton Fission

AbstractHeavy‐metal‐free pure organic room temperature phosphorescence (ORTP) holds great potential in the field of organic optoelectronic devices owing to low economic cost, simple preparation techniques, and high exciton utilization. However, it is still filled with challenges in realizing high efficiency organic light‐emitting diodes (OLEDs) and exploring the internal physical mechanism based on these ORTP molecules. Here, a high‐performance OLED induced by an unexpected interfacial spin‐mixing process between the ORTP molecule and interlayers is demonstrated, and the high efficiency electroluminescence (EL) mechanism is studied through magneto–electroluminescence (MEL) and magneto–photoluminescence (MPL) measurements. The steady‐state and transient PL properties imply that the interfacial effect is related to a high‐lying singlet fission (HLSF) process in the ORTP molecule itself. Further, the HLSF process and the corresponding energy level position are confirmed by the incident wavelength‐ and temperature‐dependent PL spectra and the magnetic‐field‐dependent transient PL. Finally, by optimizing the interfacial material adjacent to the emissive layer to utilize this interfacial spin mixing effect, a high‐efficiency non‐doped ORTP‐OLED with external quantum efficiency of 16% and CIE coordinates of (0.27, 0.49) is developed. The proposed mechanism during the EL process will give insight to produce more efficient OLEDs based on ORTP materials in the future.

Synthesis of a novel cost-effective double-ligand Zr-based MOF via an inverted modulator strategy towards enhanced adsorption and photodegradation of tetracycline

Developing visible-light response photocatalysts with high activity and adsorption alongside sustainability is vitally important to environmental restoration. Here, we fabricated a novel metal organic framework (MOF) with cost-effective double-ligands (fumaric acid and 2-aminoterephthalic acid as ligand precursors, denoted as MA-MOF) via a facile solvothermal method. Specifically, crystalline [Zr6O4(OH)4(fumarate)6] (MOF-801) can be only formed with monocarboxylic acids as modulators. Therefore, in the construction of crystalline double-ligand MA-MOF, the absence of monocarboxylic acid modulators successfully prevents the formation of crystalline MOF-801. Instead, the crystalline double-ligand MA-MOF is formed. Properties of MA-MOFs including the surface area, porosity, charge transfer resistance, and energy level position can be adjusted via altering the ratio of ligands. The optimal sample, MA-MOF2 (prepared with a molar ratio of fumaric acid and 2-aminoterephthalic acid being 2:1), shows a total 94.6% removal of tetracycline via adsorption and photodegradation, far exceeding the corresponding single-ligand counterparts. This work proposes an innovative inverted modulator strategy for constructing double-ligand MOFs.

Enhancing antithermal-quenching properties of terbium-doped phosphors through Nb/Ta substitution: Insights into the role of intervalence charge transfer and excitation-driven modulation

Currently, the unique 5D4 energy level of terbium (Tb3+) can contribute to narrow-band green light emission, which has high application prospects. However, due to its poor thermal stability at high temperatures, how to enhance the antithermal-quenching properties of Tb-doped phosphors has become a research difficulty in the field of solid-state lighting and temperature sensing. In this contribution, the antithermal-quenching green-emitting of terbium was achieved by Nb/Ta substitution to form GdNb1-xTaxO4:Tb3+ phosphors with various components. Photoluminescence analyses reveal an increasing trend in both the optical band gap and the intervalence charge transfer (IVCT) energy level positions with substitution. Variable-temperature spectrums observed that the phosphors under different compositions presented a large discrepancy in thermal quenching performance. It is elucidated that the elevated position of the IVCT energy level (IVCT-EL) predominantly influences thermal quenching, bolstering its role as a compensatory luminescence channel of 5D3→5D4 far more than functioning as a quenching luminescence channel for Tb3+5D3/5D4. Delving into the perspective of IVCT-EL positioning unveils the intrinsic mechanism through which IVCT-EL positions modulate the thermal quenching properties of phosphors with varying compositions due to the substitution of Ta for Nb. This insight facilitates the realization of enhanced thermal quenching resistance in phosphors. Furthermore, the antithermal-quenching property of Tb3+ in single-phase phosphors can be effectively modulated by excitation at different wavelengths. This tuning scheme not only advances the exploration of terbium-doped antithermal-quenching phosphors but also provides a novel strategy and reference for designing green-emitting phosphors in the fields of lighting and sensing.

Multimode Luminescence with Temperature and Energy Level Synergistic Dependence in Rare Earth Halide DPs for Advanced Multifunctional Applications.

Rare-earth halide double perovskites (DPs) have attracted extensive attention due to their excellent optoelectronic performance. However, the correlation between luminescence performance, crystal structure, and temperature, as well as the inherent energy transfer mechanism, is not well understood. Herein, Lanthanide ions (Ln3+: Nd3+ or Dy3+) as the co-dopants are incorporated into Sb3+ doped Cs2NaYbCl6 DPs to construct energy transfer (ET) models to reveal the effects of temperature and energy levels of rare earth on luminescence and ET. The different excited state structures of Sb3+-Ln3+ doped Cs2NaYbCl6 DPs at different temperatures and relative positions of energy levels of rare earth synergistically determine the physical processes of luminescence. These multi-mode luminescent materials exhibit good performance in anti-counterfeiting, NIR imaging, and temperature sensing. This work provides new physical insights into the effects of temperature and energy levels of rare earth on the energy transfer mechanism and related photophysical process.

Robust Dipolar Layers between Organic Semiconductors and Silver for Energy-Level Alignment.

The interface between a metal electrode and an organic semiconductor (OS) layer has a defining role in the properties of the resulting device. To obtain the desired performance, interlayers are introduced to modify the adhesion and growth of OS and enhance the efficiency of charge transport through the interface. However, the employed interlayers face common challenges, including a lack of electric dipoles to tune the mutual position of energy levels, being too thick for efficient electronic transport, or being prone to intermixing with subsequently deposited OS layers. Here, we show that monolayers of 1,3,5-tris(4-carboxyphenyl)benzene (BTB) with fully deprotonated carboxyl groups on silver substrates form a compact layer resistant to intermixing while capable of mediating energy-level alignment and showing a large insensitivity to substrate termination. Employing a combination of surface-sensitive techniques, i.e., low-energy electron microscopy and diffraction, X-ray photoelectron spectroscopy, and scanning tunneling microscopy, we have comprehensively characterized the compact layer and proven its robustness against mixing with the subsequently deposited organic semiconductor layer. Density functional theory calculations show that the robustness arises from a strong interaction of carboxylate groups with the Ag surface, and thus, the BTB in the first layer is energetically favored. Synchrotron radiation photoelectron spectroscopy shows that this layer displays considerable electrical dipoles that can be utilized for work function engineering and electronic alignment of molecular frontier orbitals with respect to the substrate Fermi level. Our work thus provides a widely applicable molecular interlayer and general insights necessary for engineering of charge injection layers for efficient organic electronics.

Effect of Yb doping on the optical and photoelectric properties of CsPbCl3 single crystals

In this paper, the effect of Yb dopant on the optical and photoelectric properties of CsPbCl3:Yb single crystals is studied. The position of the main energy level of Yb3+ ions relative to the energy band was determined. Two channels of electron photoionization into the conduction band were identified, which are photo-stimulated transition of valence electrons and transition of electrons from the ground level of the Yb3+ dopant ion. The crucial role of Yb2+ ions in the manifestation of the quantum cutting effect was shown. A non-uniform distribution of ytterbium dopant in the CsPbCl3:Yb single crystal volume was revealed. It was established that the absolute quantum yield of ytterbium luminescence in CsPbCl3:Yb single crystals in the near-infrared region at Yb concentration of 2 mol.% reaches 86%.

Non-metal inducing charge rearrangement in carbon nitride to promote photocatalytic hydrogen production

Photocatalytic hydrogen production technology offers a means of converting solar energy into chemical energy contained in hydrogen for human consumption. However, traditional photocatalysts restrict the progress of photocatalytic technology owing to the straightforward complexation of carriers and lack of active sites. Thus, in this work, the number of active sites and carrier separation efficiency have been significantly improved by non-metallic modification and modulation of the geometry of carbon nitride. It has been demonstrated that oxygen doping enhances the energy band structure of benzene-substituted O-doped g-CN nanotubes (BOCN). Oxygen, in conjunction with the benzene ring, creates redox energy level positions that are spatially separated. One-dimensional tubular structures synthesised by supramolecular self-assembly have a thin-walled structure capable of exposing more active sites. Additionally, the adsorption equilibrium of H+ on the catalyst is further enhanced. The in-depth analysis of each component through experiments and theoretical calculations contributes to a reasonable photocatalytic mechanism for decomposing aquatic hydrogen.

The dynamic surface evolution of halide perovskites induced by external energy stimulation.

Tracking the dynamic surface evolution of metal halide perovskite is crucial for understanding the corresponding fundamental principles of photoelectric properties and intrinsic instability. However, due to the volatility elements and soft lattice nature of perovskites, several important dynamic behaviors remain unclear. Here, an ultra-high vacuum (UHV) interconnection system integrated by surface-sensitive probing techniques has been developed to investigate the freshly cleaved surface of CH3NH3PbBr3 in situ under given energy stimulation. On this basis, the detailed three-step chemical decomposition pathway of perovskites has been clarified. Meanwhile, the evolution of crystal structure from cubic phase to tetragonal phase on the perovskite surface has been revealed under energy stimulation. Accompanied by chemical composition and crystal structure evolution, electronic structure changes including energy level position, hole effective mass, and Rashba splitting have also been accurately determined. These findings provide a clear perspective on the physical origin of optoelectronic properties and the decomposition mechanism of perovskites.

Two‐Pronged Maneuver of Inner Regulation and Surface Repair for Stable Inorganic Perovskite Solar Cells with Ultralow Open‐Circuit Voltage Deficit

Despite inorganic perovskites are suitable for application into tandem solar cells, the unsatisfactory crystal quality and inevitable surface defects of low‐temperature fabricated inorganic perovskites lead to undesirable open‐circuit voltage (VOC) deficit, which limits the further development of inorganic perovskite solar cells (IPSCs). Herein, dimethylammonium chloride (DMACl) was introduced into perovskite precursor to prolong the solid‐state reactions between intermediate phases of DMAPbX3 and Cs4PbX6, and mediate crystallization process of inorganic perovskite, leading to obtain high‐quality CsPbI2.75Br0.25 perovskite films without DMA+ residue in perovskite films after annealing. Additionally, the energy level position of perovskite slightly downshift after adding DMACl, narrowing the band offsets between perovskite and carrier transport layers. To further reduce VOC deficit and improve the performance of IPSCs, cesium iodide (CsI) thin layer is evaporated onto the perovskite surface to repair inevitable I‐related defects. Ultimately, the VOC and performance of IPSCs are improved without introducing organic components into final perovskite films. A champion photoelectric conversion efficiency of 20.75% is achieved, and the VOC deficit is significantly decreased to 0.382 V, which is the minimum VOC deficit of IPSCs at present. Additionally, the stability of the perovskite films and IPSCs has also been remarkably enhanced.

Excited state dynamics of Bi3+ centers in cubic Gd2O3

Photoluminescence characteristics of Gd2O3:Bi are studied in the 4.2–800 K temperature range by the time-resolved spectroscopy methods. Purely cubic structure of Gd2O3:Bi is confirmed by XRD. The luminescence of Bi3+(S6) and Bi3+(C2) centers is found to arise from the electron transitions from the emitting level of the triplet excited state of Bi3+, corresponding to the 3P1 → 1S0 transitions of the free Bi3+ ion. Relaxation processes in the triplet excited state of Bi3+ ions do not result in the population of the lowest-energy metastable level. The absence of the radiative transitions, corresponding to the 3P0 → 1S0 transitions of the free Bi3+ ion, explains the short (0.3–2.0 μs) decay time of the triplet emission of Bi3+ even at 4.2 K. The conclusion is made that the fast luminescence decay cannot be caused by the mixing of the metastable and emitting levels of the triplet excited state of Bi3+ by the magnetic field created at the Bi3+ site by the magnetically ordered Gd3+ sublattice. The electron transfer and recombination processes, resulting in the appearance of the photo- and thermally stimulated electron recombination luminescence of Bi3+(S6) and Bi3+(C2) centers under excitation in the Eexc > 4.3 eV energy region, are also discussed. The energy level positions of the Bi3+(S6) and Bi3+(C2) centers in the band gap of Gd2O3 are estimated.

1,1'-Bis-(diphenylphosphino)ferrocene appended d8- and d10-configuration based thiosquarates: the molecular and electronic configurational insights into their sensitization and co-sensitization properties for dye sensitized solar cells.

Three new d8- and d10-configuration based 1,1'-bis-(diphenylphosphino)ferrocene (dppf) appended thiosquarates complexes with general composition [M(mtsq)2dppf] (M = Ni2+ (NiL2); Zn2+ (ZnL2) and Cd2+ (CdL2)) (mtsq = 3-ethoxycyclobutenedione-4-thiolate) have been synthesized and characterized spectroscopically as well as in case of NiL2 by single crystal X-ray diffraction technique. The single crystal X-ray analysis reveals square planar geometry around Ni(II) in NiL2, where Ni(II) coordinates with two sulfur centres of two mtsq ligands in monodentate fashion and two phosphorus of a dppf ligand in chelating mode. The supramolecular architecture of NiL2 is sustained by intermolecular C-H⋯O interactions to form one-dimensional chain. Further, the application of these newly synthesized complexes as sensitizers and co-sensitizers/co-absorbents with ruthenium based N719 sensitizer in dye-sensitized solar cells (DSSCs) have been explored. The DSSC set-up based on NiL2 offers best photovoltaic performance with photovoltaic efficiency (η) 5.12%, short-circuit current (Jsc) 11.60 mA cm-2, open circuit potential (Voc) 0.690 V and incident photon to current conversion efficiency (IPCE) 63%. In co-sensitized DSSC set-up, ZnL2 along with state-of-the-art N719 dye displays best photovoltaic performance with η 6.65%, Jsc 14.47 mA cm-2, Voc 0.729 V and IPCE 69%, thereby showing an improvement by 15.25% in photovoltaic efficiency in comparison to the photovoltaic efficiency of N719 sensitized DSSC set-up. Variation in co-sensitization behaviour have been ascribed to the differences in the excited state energy level of co-sensitizers. The ZnL2 and CdL2 have a higher energy level position than N719 dye, allowing efficient electron transfer to N719 during light irradiation, while excited state of NiL2 is lower than N719 dye, preventing photoexcited electron transfer to N719, resulting in its lowest overall efficiency among the three co-sensitized DSSC setups.

Tuning electrical and optical properties of InAs/GaAs1−x Sb x quantum dots

Understanding the electrical and optical properties of InAs/GaAs(Sb) quantum dots (QDs) is essential for designing and improving the performance of related semiconductor QD devices. In this paper, the effects of In segregation, QD size, capping layer thickness and Sb composition on the electrical and optical properties of type I and type II InAs/GaAs1−x Sb x () QDs are systematically investigated and general regularities are summarized. The comparisons of electron distribution probabilities, interband and intraband transition energies and absorption coefficients show that In segregation and QD size have a strong influence on the electron energy level positions of InAs QDs and that the trade-offs between absorption peak energy, absorption intensity and radiative lifetime of InAs/GaAs1−x Sb x QDs can be optimized by adjusting the thickness and Sb composition of the GaAs1−x Sb x capping layer. The results obtained are promising for the applications in the pre-design and performance feedback of the QD devices such as QD lasers, QD infrared detectors and intermediate band solar cells.

Efficient spatial separation of charge carriers over Sv-ZnIn2S4/NH2-MIL-88B(Fe) S-scheme heterojunctions for enhanced photocatalytic H2 evolution and antibiotics removal performance

The exploration of highly efficient sunlight-assisted photocatalyst for photodegradation of organic contaminants or energy conversion is strongly encouraged. In this work, we designed a novel three-dimensional spindle-like Sv-ZIS@NMFe heterojunction made of amino functionalized NH2-MIL-88B(Fe) (NMFe) and ZnIn2S4 nanosheets with abundant sulfur vacancies (Sv-ZIS). The structural properties of NMFe materials, such as a clearly defined system of pores and cavities, were retained by the Sv-ZIS@NMFe composites. Additionally, the incorporation of sulfur vacancies, –NH2 functional groups, and well-matched energy level positions led to various synergistic effects that considerably enhanced internal electron transformation and migration, as well as improved adsorption performance. Consequently, under visible light irradiation, the optimized sample exhibited superior hydrogen production activity and tetracycline hydrochloride photodegradation performance. At last, density functional theory calculations was used to further elucidated the possible photoreactivity mechanism. This study demonstrates that the Sv-ZIS@NMFe heterojunction materials formed by ZnIn2S4 with suitable sulfur vacancies and amino functionalized Fe-MOFs have promising applications in photocatalysis.

Studies in the influence of D–π–A pyrenyl chalcone containing methoxy substitution as dye-sensitizer in DSSC

A pyrene based chalcone (PyMe) has been prepared by Claisen-Schmidt condensation reaction. The proposed structure was proceeded for characterization analysis of Nuclear Magnetic Resonance (NMR), Fourier Transform Infrared Spectroscopic (FTIR) and Ultraviolet-Visible (UV-Vis) studies. The analysis of cyclic voltammetry (CV) performed has determined the appropriated position of HOMO and LUMO energy level for electron injection and dye regeneration in DSSC. The Field-Emission Scanning Electron Microscopy (FESEM) and Energy dispersive X-ray spectroscopy (EDX) study has confirmed the existence of PyMe based on the distribution and composition of the elements on the TiO2 layer, respectively. The Donor–π–Acceptor (D–π–A) structural chromophores with methoxy (-OCH3) attachment in PyMe has also contribute to the power conversion efficiency of DSSC.

α-In2Se3/Nb-doped MoSh2 heterojunction: a first-principles study

The α-In2Se3 material is a two-dimensional ferroelectric semiconductor whose structural asymmetry gives it spontaneous polarization properties, and exhibits a direct bandgap structure when it is multilayered. α-In2Se3 is an n-type semiconductor, which is usually used in experiments to form heterojunctions with p-type semiconductors to prepare photodetectors. In this paper, we designed α-In2Se3/Nb-doped MoS2 heterojunction, because Nb doping is a good p-type dopant for MoS2. Our research shows that: the heterojunction exhibits type-Ⅱ band alignment; the band offset can be changed by the out-of-plane polarization direction; doping can modulate the Fermi energy level position of MoS2 and thus further modulate the band alignment and band offset. The α-In2Se3/Nb-doped MoS2 heterojunction is expected to be applied to the field of photodetectors, and we proposed a method to adjust the band alignment of the heterojunction by adjusting the doping concentrations.

Constructing 1D/0D Sb2S3/Cd0.6Zn0.4S S-scheme heterojunction by vapor transport deposition and in-situ hydrothermal strategy towards photoelectrochemical water splitting

Antimony sulfide (Sb2S3) is widely used in photocatalysts and photovoltaic cells because of its abundant reserves, low toxicity, environmental friendliness, narrow band gap, and high light absorption capacity. Sb2S3 shows a quasi-one-dimensional structure composed of [Sb4S6]n nanoribbons, a lot of reported studies are focused on preparing Sb2S3 with [hk1] oriented dominant growth to improve the photogenerated carrier transport capacity of Sb2S3. However, there is relatively few research on the preparation of [hk1] oriented rod-like Sb2S3 by vapor transport deposition (VTD) method. In this work, the VTD method was used to prepare Sb2S3 with [hk1] oriented growth on the FTO substrate, and then composite with the ternary solid solution CdxZn1−xS. Finally, a novel Sb2S3/Cd0.6Zn0.4S S-scheme heterojunction with rod-like core-shell structure was successfully constructed, which could effectively improve the photoelectrochemical properties. Because the solid solution component x is adjustable, that is, CdxZn1−xS has continuously adjustable band gap width and energy level position, the Sb2S3/CdxZn1−xS heterojunction type can be regulated from Type-II to S-scheme. Photoelectrochemical (PEC) tests indicated that the composite photoanode Sb2S3/Cd0.6Zn0.4S achieved a higher photocurrent density (2.54 mA·cm−2, 1.23 V vs. RHE), which is about 4.31 times that of pure Sb2S3 nanorod photoanode (0.59 mA·cm−2, 1.23 V vs. RHE).

Modulating the antithermal-quenching of praseodymium-activated phosphor by the position of intervalence charge transfer state

So far, overcoming thermal quenching remains a huge challenge in the application of phosphor materials. The intervalence charge transfer (IVCT) state has an inestimable role in the compensation of antithermal-quenching effects and is widely used in the research of applications in optical temperature sensing, yet little study has been reported on its modulation of thermal quenching properties. In this contribution, the thermal quenching properties of praseodymium-activated solid-solution substituted GdNb1-xTaxO4 phosphors were investigated systematically for the inaugural time from the perspective of IVCT energy level positions. According to the empirical formula, the IVCT level positions in the phosphor increase sequentially from 32960.71 cm−1 to 33442.15 cm−1, the DFT calculates the extension of the substrate band gap from 3.6408 eV to 4.3066 eV, and the contributing energy level of the conduction band is determined. The variation in the position of the IVCT energy level explains the alteration of the luminescence intensity at room temperature for different composition phosphor 3P0 and 1D2 energy levels. More particularly, it was analyzed that in the variable temperature spectra, x = 0–0.75 exhibited different degrees of efficient antithermal-quenching properties at 303–523 K, while no antithermal-quenching was presented at x = 1. By analyzing the IVCT energy level position and other influencing factors such as band gap, the feasibility of the IVCT energy level position as a competing model for the compensation and quenching channels is established, and the internal mechanism of regulating thermal quenching property is revealed. Effective control of the phosphor resistance to thermal quenching performance was achieved, which directly determines whether enhanced or diminished thermal quenching can be obtained. This finding provides a new effective strategy for the tuning of thermal quenching luminescence of Pr3+-doped Nb/Ta system phosphors.

Regulating Luminescence Thermal Quenching of Praseodymium-Doped Niobo-Tantalate Phosphor through Intervalence Charge Transfer Band Displacement.

Pr3+-related intervalence charge transfer (IVCT) bands are a research hotspot owing to their amelioration in the luminescence thermal quenching of Pr3+-activated phosphors. Here, a typical IVCT band displacement strategy via a topological chemical scheme is reported to optimize the luminescence thermal quenching performance of praseodymium-doped niobo-tantalate. The substitution of Ta5+ ions for Nb5+ ions reduces the valence-weighted average cation optical electronegativity and increases the bond lengths of the activator (Pr3+) to the ligand cations (Nb5+ and Ta5+) via adjusting the crystal structure, leading to an increase in the IVCT energy level position from 3.521 to 4.139 eV. The increase in the IVCT energy level leads to an increase in the number of electrons located in the Pr3+ 3P0 energy level, which compensates for the emission of 1D2 during warming. Especially, the energy gap value of the IVCT band is positively correlated with the thermal quenching activation energy ΔE2. ΔE2 increases, the crossover point rises, and the nonradiative transition decreases, further enhancing the Pr3+ 1D2 emission. At 503 K, the 1D2 emission integral intensity increases from 14 to 224% relative to the 303 K original integral intensity. This IVCT band displacement strategy can be used as a scheme for designing antithermal quenching luminescence materials.