Cation Doping Research Articles

Reinforcement of electrocatalytic overall water splitting by constructing Mo-doped NiFe LDH/NiS heterostructure

Electrochemical water splitting is considered to be an environmentally friendly and efficient method of hydrogen production. NiFe LDH is a well-known electrocatalyst for oxygen evolution, yet its effectiveness in HER has been suboptimal. In this research, we created a Mo-NiFe LDH@NiS catalyst on carbon cloth via cation doping and heterointerface construction of NiFe LDH. The resulting Mo-NiFe LDH@NiS/CC showed remarkable HER activity. Furthermore, when used as a bifunctional electrode for overall water splitting, Mo-NiFe LDH@NiS/CC operated at a cell voltage of 1.58V at a current density of 10mA/cm² and exhibited outstanding durability. This study emphasizes the significant enhancement in HER and overall water-splitting efficiency of NiFe LDH achieved through Mo doping and heterostructure engineering, advancing its potential for effective water splitting applications.

Cr-doped NiFe sulfides nanoplate array: Highly efficient and robust bifunctional electrocatalyst for the overall water splitting and seawater electrolysis

To replace precious metals and reduce production costs for large-scale hydrogen production, developing stable, high-performance transition metal electrocatalysts that can be used in a wide range of environments is desirable yet challenging. Herein, a self-supported hybrid catalyst (NiFeCrSx/NF) with high electrocatalytic activity was designed and constructed using conductive nickel foam as a substrate via manipulation of the cation doping ratio of transition metal compounds. Due to the strong coupling synergy between the metal sulfides NiS2, Fe9S11, and Cr2S3, as well as their interaction with the conductive nickel foam (NF), the energy barrier for catalytic reactions is reduced, and the charge transfer rate is enhanced. This significantly improves the hydrogen evolution reaction (HER) performance of NiFeCrSx/NF, achieving a current density of 10 mA cm−2 with an overpotential of just 66 mV. Furthermore, doping with chromium generates different valence states of Cr during the catalytic process, which can synergize with the high-valent Fe and Ni, promoting the formation of oxygen vacancies and enriching the active sites for the oxygen evolution reaction (OER). Consequently, at a current density of 10 mA cm−2 in 1.0 M KOH, the overpotential for OER is only 223 mV for NiFeCrSx/NF. Additionally, the in situ grown of self-supporting nanoflower structure on NiFe-LDH not only provides a large catalytic surface area but also facilitates electrolyte penetration during the catalytic process, endowing NiFeCrSx/NF with high long-term stability. When used as a bifunctional catalyst for overall water splitting, the NiFeCrSx/NF||NiFeCrSx/NF electrolyzer requires only 1.29 V to deliver a current density of 10 mA cm−2. Simultaneously, Cr doping protects the Fe sites by maintaining stable valence states, ensuring high performance and stability of NiFeCrSx/NF, even when it is utilized for seawater splitting. This strategy offers novel concepts for creating catalysts based on non-precious metals that can be utilized in various application scenarios.

Vanadium-site multivalent cation doping strategy of fluorophosphate cathode for low self-discharge sodium-ion batteries

Vanadium-site multivalent cation doping strategy of fluorophosphate cathode for low self-discharge sodium-ion batteries

Layer Resolved Cr Oxidation State Modulation in Epitaxial SrFe0.67Cr0.33O3-δ Thin Films.

Understanding how doping influences physicochemical properties of ABO3 perovskite oxides is critical for tailoring their functionalities. In this study, SrFe0.67Cr0.33O3-δ epitaxial thin films were used to examine the effects of Fe and Cr competition on structure and B-site cation oxidation states. The films exhibit a perovskite-like structure near the film/substrate interface, while a brownmillerite-like structure with horizontal oxygen vacancy channels predominates near the surface. Electron energy loss spectroscopy shows Fe remains Fe3+, while Cr varies from ∼Cr3+ (tetrahedral layers) to ∼Cr4+ (octahedral layers) within brownmillerite phases and becomes ∼Cr4.5+ in perovskite-like phases. Theoretical simulations indicate that Cr-O bond arrangements and the way oxygen vacancies interact with Cr and Fe drive Cr charge disproportionation. High-valent Cr cations introduce additional densities of states near the Fermi level, reducing the optical bandgap from ∼2.0 eV (SrFeO2.5) to ∼1.7 eV (SrFe0.67Cr0.33O3-δ). These findings offer insights into B-site cation doping in the perovskite oxide framework.

Stabilization of Tetragonal Phase in Hafnium Zirconium Oxide by Cation Doping for High-K Dielectric Insulators.

As electronic circuit integration intensifies, there is a rising demand for dielectric insulators that provide both superior insulation and high dielectric constants. This study focuses on developing high-k dielectric insulators by controlling the phase of the Hf0.5Zr0.5O2 (HZO) film with additional doping, utilizing yttrium (Y), tantalum (Ta), gallium (Ga), silicon (Si), and aluminum (Al) as dopants. Doping changes the ratio of tetragonal to monoclinic phases in doped HZO films, and Y-doped HZO (Y:HZO) films specifically exhibit a high tetragonal phase ratio and a dielectric constant of 40.9, indicating superior insulating properties compared to undoped HZO films. To clarify the fundamental mechanism driving the enhancement in dielectric properties, we have carried out various analyses combined with density functional theory (DFT) calculations. Through the optimization of the post-deposition annealing (PDA) process and the heterojunction structure with Al2O3, an Al2O3/Y:HZO heterojunction with a high dielectric constant and even lower leakage current compared to a single layer was developed. The thin-film transistor (TFT) with the Au/Ti/amorphous InGaZnO4 (a-IGZO)/Al2O3/YHZO/TiN heterojunction structure exhibits low subthreshold swing (SS) values within a narrow gate-source voltage (Vsg) range. This study advances knowledge on how the controlled-phase doped HZO films affect the dielectric constant and leakage current and will contribute to semiconductor technology advancements by overcoming the limitations of conventional high-k dielectric insulators.

Aliovalent metal cation doping of La5Ti2AgO7S5 particles for improved photocatalytic and photoelectrochemical water splitting.

The doping of photocatalytic La5Ti2AgO7S5 particles with aliovalent metal cations was investigated. The incorporation of lower-valence Al3+ cations at Ti4+ sites improved the photocatalytic hydrogen evolution activity. In addition, the anodic photocurrent during oxygen evolution was increased upon adding higher-valence Ta5+ ions. The effect of doping on the carrier density in the photocatalytic particles was also examined in this work.

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.

Influence of Temperature on the Performance of Metal Semiconductor Metal Photodetector Fabricated by Pure and Cationic Doped (Mg2+ and Cu2+) SnO2 Nanoparticles

Research based on various temperatures always provides beneficial awareness in the fabrication of a vital photodetector for significant applications. Increasing temperature and including dopants in photodetector materials will influence the functioning of the photodetector. This study included the influence of temperature on pure and doped SnO2 photodetectors. The crystal structure of stannic oxide has been modified by adding cationic dopants, namely Mg2+ and Cu2+, through co-precipitation techniques. Various characterization techniques were employed to examine the impact of Mg2+ and Cu2+ on the Sn4+ lattice. The electrical properties of the materials were studied at different temperatures using the Hall effect. Pure SnO2, Mg-doped SnO2, and Cu-doped SnO2 nanoparticles were synthesised separately and used as photodetectors using fluorine-doped tin oxide film as a conductive medium. The fabricated photodetectors are optimized by current-voltage characteristics at different temperatures. The effects of defects in crystal structure, oxygen vacancies, carrier concentration, and temperature on the photodetectors were studied. Comparative studies of pure and doped SnO2 photodetectors revealed that temperature and crystal defects play a significant role in photoconduction.

Enhancing oxidation resistance of silicon nitride using a Ca2+ stabilizer

Silicon nitrides are widely used in ceramic heaters for combustion engines due to their high strength and wear resistance. However, their poor oxidation resistance at elevated temperatures limits their reliability. Oxidation products, such as silica and intermediate compounds from sintering additives, often suffer from microcracks due to phase transformation and volume expansion mismatch during thermo-mechanical cycles. Use of cation dopants to chemically stabilize the transformation of the oxidation front is proposed. This study investigated the effect of Ca2+ treatment on Si3N4 with MgO and Y2O3 sintering aids. The Si3N4 samples were coated with CaO and the phase composition, microstructure, and chemical distribution of the oxidation products were analyzed using XRD, SEM, TEM, STEM, and EDS. The oxidation coupon tests revealed that the CaO coating effectively protected Si3N4 from oxidation at 1300 ºC for 40h. Moreover, the microstructure analysis showed that CaO coating created more favorable microstructures which reduced oxidation reactions.

Electronic and thermal transport engineering of a highly earth-abundant and low-cost Sn-based thermoelectric material

Tin monosulfide (SnS), composed of abundant, low-cost, and environmentally friendly elements, has garnered significant attention in the field of thermoelectrics due to its analogous electron and phonon transport properties to SnSe. However, undoped SnS exhibits a limited charge carrier concentration, resulting in poor electrical conductivity. In this study, a dual doping approach was employed, introducing both cationic (Na and Pb) and anionic (Se and Te) dopants into polycrystalline SnS. This approach yielded a notable enhancement in electrical properties and a reduction in thermal conductivity. As a result of these modifications, the figure of merit (zT) reached 0.38 at approximately 525 K. Specifically, the power factor increased to 2.25 μWcm−1K−2, while the total thermal conductivity was reduced to 0.3 Wm−1K−1. These findings highlight the potential of synergistic cation and anion doping strategies to significantly improve the thermoelectric performance of SnS at relatively lower temperatures, offering a pathway for further exploration of cost-effective thermoelectric materials based on SnS.

Modulating the structural and electrical properties of SrFeO3–δ by a-site alkali metal ion doping

The electrical properties of perovskite structured SrFeO3–δ can be modulated by A site doping. The present work focuses on the influence of concentration and ionic radii of alkali metal cation on the structural and electrical properties of Sr1–xAxFeO3–δ (A = Ca, Ba and x = 0, 0.25, 0.50, 0.75). The x-ray diffraction studies confirm the phase change from cubic to orthorhombic with Ca content while orthorhombic to cubic structural translation was observed with Ba concentration. A lattice contraction and expansion were observed for doping depending on the ionic radii of dopant cation. The x-ray photoelectron spectroscopy results indicate the presence of Fe in mixed valence state of +2, +3, +4 state and adsorbed oxygen content was found to be higher upon Ba doping than that of Ca. A maximum conductivity of 1.82 × 10−3 S cm−1 (x = 0.25) and 5.31 × 10−3 S cm−1 (x = 0.5) was observed at 800 °C for Ca and Ba doped samples, respectively, one order higher than the base SrFeO3–δ .Thus, our results emphasise the importance of dopant addition on tailoring the electrode properties for SOFC application.

Construction of NiFe/MnNiCo-LDH heterostructure for enhanced oxygen evolution reaction for efficient water splitting

Developing highly efficient and cost-effective oxygen evolution reaction (OER) catalysts is pivotal for advancing sustainable energy storage and conversion technologies. Herein, NiFe/MnNiCo-LDH was successfully prepared by in-situ growth method. The OER performance of this composite material had been significantly enhanced through bimetallic atom modification and cation doping strategies. These modifications not only enhanced the electronic conductivity but also regulated the electron distribution within the catalyst structure. As a result, NiFe/MnNiCo-LDH can reach a current density of 10 mA cm−2 at an overpotential of only 227 mV in the OER reaction. Moreover, the catalyst exhibited remarkable durability and maintained its high performance over an extended period of 48 h during the water splitting reaction. In this work, the potential of dual modification methods for optimizing catalytic properties of OER materials was investigated.

Probing the structure, optical, and photoluminescent properties of anion excess bixbyite (In0.60Zr0.40)2O3+δ through cation doping

The unique radiation response of the anion-excess sublattice of bixbyite Gd2Ce2O7, which remains crystalline without amorphization, has sparked significant interest in exploring other systems with anion-excess bixbyite structures. This study delves into the effects of introducing transition metal ions (Cr, Mn, and Fe), luminescent activators (Eu, Tb), and trivalent bismuth with stereochemically active lone pair on the structure, optical, and luminescent properties of anion-excess bixbyite structured (In0.60Zr0.40)2O3+δ by synthesizing the samples using a solution combustion route. Introducing up to 20 mol % of transition metal ions (in place of indium) did not alter the superstructure of (In0.60Zr0.40)2O3+δ except for chromium. (In0.60Zr0.40)2O3+δ could take up only 5 mol % of Eu, Tb, and Bi, retaining the superstructure. Fe and Mn in the doped samples existed in the +3- state. The optical bandgap narrowing occurred in the transition metal ion-doped sample and widened in the Eu and Tb-doped samples. Co-doping Bi with Eu and Tb resulted in significant optical bandgap reduction. Typical red and green emissions have been observed in the case of Eu- and Tb-doped samples both at 293 and 77 K. Low-temperature measurements at 77 K in the case of Eu3+- doped sample indicated its occupancy at 8b and 24d sites of the bixbyite structure serving as valuable site probes. The CIE coordinates at 293 K (0.3352, 0.3374) for the (Eu, Tb, Bi)-doped sample near the illuminant E point showed its suitability in W-LEDs, Enhancement in energy transfer from Tb3+ to Eu3+ with lowering temperature and change in color coordinates from (0.3360, 0.3374) to (0.3352,0.3374) at 77 K and 293 K, respectively was observed for the (Eu, Tb, Bi)-doped sample, illustrating color tunability with temperature. Aging experiments concluded the metastability of rare-earth and bismuth-doped samples.

Effect of Yb3+ on the thermophysical and mechanical properties of gadolinium zirconate ceramics: First-principles calculations and experimental study

Thermal barrier coating materials require high phase stability, low thermal conductivity, and a thermal expansion coefficient that matches the bonding layer. Cation doping is a highly efficient method for enhancing the thermophysical and mechanical characteristics of materials used in thermal barrier coatings. The thermophysical and mechanical properties, as well as the phase stability at high temperatures of ceramic materials doped with Yb3+ in gadolinium zirconate, are examined by utilizing first principles calculations and solid-state reaction methods. As the Yb3+ content increases, the grain average particle size of gadolinium zirconate ceramics first decreases and then increases. Given that a smaller grain size results in more grain boundaries, thereby reducing the thermal conductivity of the material, it can be inferred that Yb0.20 ((Gd0.8Yb0.2)2Zr2O7) with the smallest grain size exhibits lower thermal conductivity. As the Yb3+ content increases, both the calculated and experiment results suggest the Young’s modulus of gadolinium zirconate initially declines to its minimum value when the Yb3+ content is 0.5 and subsequently experiences a little increase. Furthermore, as the concentration of Yb3+ increases, the material initially experiences a drop in both hardness and fracture toughness, followed by a subsequent increase. Both the calculation and experimental results indicate that the thermal conductivity of gadolinium zirconate initially decreases and then increases. Among the different compositions, Gd1.5Yb0.5Zr2O7 demonstrates the minimum thermal conductivity, measuring 1.029 W/(m⸱K) according to the Clark model and 1.152 W/(m⸱K) according to the Cahill model. At a temperature of 1273 K, the experimental results demonstrated that (Gd0.8Yb0.2)2Zr2O7 has the lowest thermal conductivity of 1.415 W/(m·K). Furthermore, both the calculated and experimental thermal expansion coefficients of the material decrease first until the Yb3+ concentration is 0.5 and then increase slightly when the Yb3+ content increases. Moreover, gadolinium zirconate ceramics have demonstrated a consistent single-phase fluorite structure, excellent stability at high temperatures, and remarkable structural integrity during repeated heating and cooling cycles. The calculation results exhibit strong congruence with the experimental data. The objective of this work is to improve the thermophysical and mechanical properties of gadolinium zirconate ceramics for their application as materials for thermal barrier coatings.

Realizing Bright-Dark Dual-Field Multimode Optical Signals in Photochromic Apatite Phosphors for Security Identification.

Regulating defect distribution in inorganic phosphors is paramount for realizing multimode dual-field optical signals for high security level identification but remains an ongoing challenge. Here, we propose a strategy of equivalent anion doping and nonequivalent cation doping to successfully regulate the trap distribution and density in Ba5(PO4)3Cl:F-,Eu2+,Ce3+ (BPCF-AG) phosphors. Due to the coexistence of shallow and deep traps for different photon processes, the BPCF-AG exhibits simultaneous photochromism in a bright field and tetramode luminescence (photoluminescence, afterglow, 980 nm photostimulated luminescence, and 650/532 nm photostimulated afterglow) in a dark field. The trap roles responsible for versatile optical behaviors are investigated by thermoluminescence curves, and a reasonable mechanism is proposed. In addition, we design a series of demonstrations for security identification and information encryption based on the dual-field multimode optical signals of BPCF-AG to illustrate its potential application scenarios.

Effect of A-site cation doping on the catalytic oxidation of toluene over mullite catalyst GdMn2O5

Manganese-based mullite (AMn2O5) catalysts are promising for the catalytic oxidation of VOCs, with their oxidation reaction performance being tunable by modifying the composition of the A-site elements. In this work, various manganese-based mullite catalysts (Gd0.9X0.1Mn2O5, X =Sr, Ce, or Ca) with different A-site elements doping were prepared by the citric acid sol–gel method and applied to the catalytic oxidation of toluene. The activity tests indicated that the enhancement of catalytic performance by doping elements was in the order of Sr > Ce > Ca. Notably, the T90 of the Gd0.9Sr0.1Mn2O5 catalyst was 235.6 °C, a lower 37.8 °C than that of the GdMn2O5. Comprehensive characterization and density functional theory (DFT) simulations revealed that Sr doping facilitates the reduction of Mn4+ to Mn3+, increases the electron occupancy of the eg orbitals in octahedral Mn sites, and elevates the Mn-d band center, thus facilitating the adsorption and activation of O2. Additionally, the raised O-p band center caused by Sr doping enhances lattice oxygen mobility. In situ DRIFTS analysis indicated that the introduction of Sr at the A-site optimizes the toluene reaction pathway and accelerates the reaction rate. This work reveals that a simple A-site cation doping strategy can effectively regulate manganese-based mullite catalysts’ electronic structure and surface reaction activity, providing a feasible method for the large-scale preparation of manganese-based mullite catalysts with excellent catalytic performance.

Thermophysical properties of Yb3+-doped nonstoichiometric gadolinium zirconate ceramics

Low thermal conductivities and high thermal expansion coefficients are desirable for rare-earth zirconate thermal barrier coating materials. Introduction of cation doping and adjustment of the nonstoichiometry are efficient methods for enhancing the thermophysical characteristics of materials. Herein, the thermophysical properties of Yb3+-doped nonstoichiometric gadolinium zirconate ceramic materials were investigated using first-principles calculations and solid-state reaction techniques. As the Yb3+ content increases, additional cations enter the interstitial spaces (for excess Gd3+ gadolinium zirconate) and form vacancy defects (for excess Zr4+ gadolinium zirconate), which serve as phonon scattering centres to decrease the thermal conductivity. When Yb3+ is doped at the same concentration, gadolinium zirconate with excess Zr4+ exhibits a lower thermal conductivity. Specifically, Gd1.875Yb0.25Zr2.125O7 shows the lowest minimum thermal conductivity of 1.133 W/(m⸱K) (according to the Clark model) and 1.241 W/(m⸱K) (according to the Cahill model). In addition, the experimental results also suggest that the optimal content of Yb3+ is 0.25 excess Zr4+ gadolinium zirconate, which has the lowest intrinsic thermal conductivity of 1.037 W/(m⸱K) at 1300 K. Moreover, the thermal expansion coefficient of the Yb3+-doped excess Gd3+ nonstoichiometric material is greater than that of the doped excess Zr4+ material, this is due to the greater electronegativity difference between Yb3+ and Zr4+ than that between Yb3+ and Gd3+ and the lower binding energy of Gd-O than that of Zr-O. The experimental results and the calculated results are in good agreement. The aim of this work is to enhance the thermophysical characteristics of gadolinium zirconate ceramics for use as thermal barrier coating materials.

Correlating Cu dopant concentration, optoelectronic properties, and photocatalytic activity of ZnO nanostructures: experimental and theoretical insights

The photocatalytic activity of photocatalysts can be enhanced by cation doping, and the dopant concentration plays a key role in achieving high efficiency. This study explores the impact of copper (Cu) doping at concentrations ranging from 0% to 10% on the microstructural, optical, electronic, and photocatalytic properties of zinc oxide (ZnO) nanostructures. The x-ray diffraction analysis shows a non-linear alteration in the lattice parameters with increasing the Cu content and the formation of CuO as a secondary phase at the Cu concentration of >3%. Density functional theory calculations provide insights into the change in the electronic structures of ZnO induced by Cu doping, leading to the formation of localizeddelectronic levels above the valence band maximum. The modulation of the electronic structure of ZnO by Cu doping facilitates the visible light absorption via O 2p → Cu 3d and Cu 3d → Zn 2p transitions. Photoluminescence spectroscopy reveals a quenching of the defect-related emission peak at approximately 570 nm for all Cu-doped ZnO nanostructures, indicating a reduction in the structural and other defects. The photocatalytic activity tests confirm that the ZnO nanostructures doped with 3% Cu exhibit the highest efficiency compared to other samples due to the suitable band-edge position and visible light absorption.

Optimizing Reversible Exsolution and Phase Transformation in Double Perovskite Sr2Fe1.5-xCoxMo0.5O6-δ Electrodes for High-Performance Symmetric Solid Oxide Cells.

Double perovskite (DP) oxides are promising electrode materials for symmetric solid oxide cells (SSOCs) due to their excellent electrochemical activity and stability. B-site cation doping in DP oxides affects the reversibility ofphase transformation and exsolution, which plays a crucial role in the catalyst recovery. Yet, few studies have been conducted on this topic. In this study, the Sr2Fe1.5-xCoxMo0.5O6-δ (CSFM, x = 0, 0.1, 0.3, 0.5) DP system demonstrates modulated exsolution and phase transformation reversibility by manipulating the oxygen vacancy concentration. The correlation between Co-doping level and oxygen vacancy concentration is investigated to optimize the exsolution and phase transformation properties. Sr2Fe1.2Co0.3Mo0.5O6-δ (3CSFM) exhibits reversible transformation between DP and Ruddlesden-Popper phases with a high density of exsolved CoFe nanoparticles under redox atmospheres. The quasi-symmetric cell with 3CSFM shows a peak power density of 1.27Wcm-2 at 850°C in H2 fuel cell mode and a current density of 2.33Acm-2 at 1.6V and 800°C in H2O electrolysis mode. The 3CSFM electrode exhibits robust stability during continuous operation for ≈700h. These results demonstrate the significant role of B-site doping in designing DP materials capable of dynamic phase transformation in diverse environments.

Cu/Gd co-doped hydroxyapatite/poly lactic-co-glycolic acid composites enhance MRI imaging and bone defect regeneration.

Background: The hydroxyapatite (HA)/poly(lactide-co-glycolide) acid (PLGA) composite material is a widely used orthopedic implant due to its excellent biocompatibility and plasticity. Recent advancements in cation doping have expanded its potential biological applications. However, conventional HA/PLGA composites are not visible under X-rays post-implantation and have limited osteogenic induction capabilities. Copper (Cu) is known to regulate osteoblast proliferation and differentiation, while gadolinium (Gd) can significantly enhance the magnetic resonance imaging (MRI) capabilities of materials. Methods: This study aimed to investigate whether incorporating Cu and Gd into an HA/PLGA composite could enhance the osteogenic properties, in vivo bone defect repair, and MRI characteristics. We prepared a Cu/Gd@HA/PLGA composite and assessed its performance. Results: Material characterization confirmed that Cu/Gd@HA retained the morphology and crystal structure of HA. The Cu/Gd@HA/PLGA composite exhibited excellent nuclear magnetic imaging capabilities, porosity, and hydrophilicity, which are conducive to cell adhesion and implant detection. In vitro experiments demonstrated that the Cu/Gd@HA/PLGA composite enhanced the proliferation, differentiation, and adhesion of MC3T3-E1 cells, and upregulated COL-1 and BMP-2 expression at both gene and protein levels. In vivo studies showed that the Cu/Gd@HA/PLGA composite maintained strong T1-weighted MRI signals and significantly improved the bone defect healing rate in rats. Conclusion: These findings indicate that the Cu/Gd@HA/PLGA composites significantly enhance T1-weighted MRI capabilities, promote osteoblast proliferation and differentiation in vitro, and accelerate bone defect healing in vivo.