Metal Doping Research Articles

Enhancing humidity sensing performance through structural and catalytic optimization in platinum-modified ordered mesoporous titania

Platinum modified ordered mesopore TiO2 (OMT:X Pt) with tunable channel was synthesized via soft-templet method known as Evaporation Induced Self-Assembly (EISA). Both porosity and metal doping have a significant impact on how metal oxide semiconductors respond to humidity. Thus, based on earlier studies, Pt-doped ordered mesoporous TiO2 was synthesized and described under optimal conditions. From nitrogen adsorption and desorption analysis, while it was found that the specific surface area decreased (from 240 to 125 m2/g), pore size increased (from 4 to13 nm). The humidity sensing performance of the Pt-modified OMT is investigated by dynamic sensing system. The sensor based on 5 wt% Pt-doped OMT showed high response (SR ∼ 105), fast response time (26 s) to 95 % relative humidity (RH) and good long-term stability (over 90 days). To understand and authenticate the sensing mechanism, the structure and morphology of synthesized Pt-doped OMT was performed by BET, SEM, HRTEM, XRD and XPS. Furthermore, a plausible sensing mechanism is discussed on basis of the obtained results.

Catalytic activity of ceria-based solid solutions with low-content dopants

Ceria-based solid solutions (M0.01Ce0.99O2) with low-content dopants were synthesized by the co-precipitation method, followed by calcination at the temperature of 500 °C. The effect of doping on catalytic performance in CO oxidation was investigated, and the catalyst physicochemical properties were studied. The introduction of even a small amount of metal dopants significantly increased the activity of catalysts. Thus, the most active catalysts were systems when doping ceria with metals Cu, Mn, and Co, i.e., with a small ionic radius and having multivalent oxidation states. It is shown that the high activity was a result of the increased interaction of Mδ+ with ceria due to facile electron exchange between Mδ+ and Ce4+/Ce3+, the redox cycle was one of the key factors in the CO oxidation, as well as well-integrated metal species in ceria lattice, especially in subsurface layer.

DFT insights into doping and oxygen vacancy effects on CO and CO₂ adsorptions over CuAl2O4 spinel surfaces

Introducing transition metals into CuAl2O4 spinel enhances catalyst stability and Cu sintering resistance in methanol steam reforming. Yet, the influence of doping on vacancy formation and the adsorption behaviors of CO2 (the primary product) and CO (the notorious byproduct) remains unclear. Herein, we employed DFT + U to investigate CO and CO2 adsorption on perfect, M-doped (Fe, Co, and Ni), and M-doped oxygen-deficient CuAl2O4 spinel (100) and (110) surfaces. We find that stronger CO adsorption on (100) than (110) surfaces across all M-doped surfaces, while CO2 adsorbs more stronger on (110) surfaces. The weakened CO adsorptions are observed on Fe and Ni-doped surfaces, demonstrating that doping plays a significant role in improving the resistance to CO poisoning. Co-doping promotes CO adsorption via a CO3-like structure on CuAl2O4(110) surface and boosts the CO oxidation. Furthermore, infrared spectroscopy simulation indicates that the vibrational frequencies for CO linear adsorption, formation of bent CO2- and CO3-like structures are within the ranges of 2042–2078, 1463–1566, and 1497–1816 cm−1, respectively. In addition, Ov on Ni-doped surfaces can significantly strengthen the CO2 adsorption by 0.6–1.3 eV, highlighting the doping and oxygen-defect engineering in enhancing the CO2 capture. This research uncovers the critical impact of metal doping and oxygen vacancies on CO and CO2 adsorptions over CuAl2O4 spinel catalyst, providing insights for developing catalysts with improved resistance to CO poisoning and enhanced CO oxidation which is vital for methanol steam reforming.

The regulation mechanism of transition metal doping on Hg0 adsorption and oxidation on Ce/TiO2(001) surface: A DFT study

The mercury oxidation performance of Ce/TiO2 catalyst can be further enhanced by transition metal modifications. This study employed density functional theory (DFT) calculations to investigate the adsorption and oxidation mechanisms of Hg0 on Ce/TiO2(001) and its transition metal modified surfaces. According to the calculation results, Ru-, Mo-, Nb-, and Mn-doping increased the affinity of the Ce/TiO2(001) surface towards Hg0 and HCl, thereby facilitating the efficient capture and oxidation of Hg0. The increased adsorption energy (Eads) of the intermediate HgCl on the modified surfaces could promote its conversion to the final product HgCl2. The modification of transition metals impeded the desorption of the final products HgCl2 and HgO, but it did not serve as the rate-determining step. The oxidation of Hg0 by lattice oxygen and HCl followed the Mars-Maessen and Langmuir-Hinshelwood mechanisms, respectively. HCl exhibited higher mercury oxidation ability than lattice oxygen. The reactivity of lattice oxygen could be further improved by doping transition metals, their promotion order was Ru > Nb > Mo > Mn. In a HCl atmosphere, Mn modification could significantly reduce the energy barrier for HCl activation and HgCl2 formation, providing the optimal enhancement for the mercury oxidation ability of Ce/TiO2 catalyst. The screening method of transition metal modified components based on surface adsorption reaction and oxidation energy barrier was proposed in this study, which provided theoretical guidance for the development of CeTi based catalysts with high mercury oxidation activity.

Potential Applications of Metal‐Doped Nanomaterials for Enhancing Solid‐State Hydrogen Storage

AbstractHydrogen energy is the primary replacement for fossil fuels in the future because of its advantages in terms of efficiency, cost‐effectiveness, and environmental friendliness. The fundamental issue with hydrogen, however, arises from its exceedingly low volumetric density; thus, developing efficient storage methods is critical to achieving a sustainable hydrogen economy. Hydrogen storage has demonstrated tremendous potential as a possible alternative for effective large‐scale storage. Due to their low cost, and high volumetric and gravimetric capacities, metal hydride‐based storage is considered the most prospective solid‐state storage material. Their low storage capacity nevertheless restricts their application effectively. Hence, the need to enhance the storage capacity by doping active metals becomes an interesting study area. With considerable success, metals, particularly transition metals, have been used to modify hydrides to improve their storage capacities. Owing to their strong and superior performance, active metals have demonstrated tremendous potential in increasing the performance of storage materials. This review critically examined recent developments in enhancing hydrogen storage characteristics through the incorporation of active metals. The preparation techniques for metal infiltration through different techniques, such as impregnation, ball/mechanical milling, and reflux were reported. The review describes significant advances in hydrogen storage characteristics due to metal doping and offers perspective recommendations for future research.

High performance catalyst for metal catalysis coupled with photocatalysis and its catalytic ammonia borane methanolysis for hydrogen production

In the study, the influence and mechanisms of metal and non-metal dopants on the photochemical properties of the semiconductor catalyst g-C3N4 are investigated. The results reveal that doping Ni, Ru, and B on g-C3N4 results in significant alterations to the energy band structure, the band gap value decreases to 0.78 eV (Ru@g-C3N4), 0.69 eV (Ni@g-C3N4), 0.5 eV (RuB@B-g-C3N4), and 0.1 eV (NiB@B-g-C3N4) from the original value of 1.139 eV. The doping of metal and non-metal atoms can significantly enhance the light absorption capability and photothermal conversion efficiency of B-g-C3N4. The mechanism of ammonia borane (AB) dehydrogenation follows the stepwise dehydrogenation principle. AB molecules adsorb onto the active metal centers, and with the assistance of the catalytic sites, CH3OH molecules activate and attack the B–N bond in AB molecules, leading to the initial breakage of the B–N bond, the interaction between O atoms in CH3OH and N atoms in AB continues, forming NH3BH2(OCH3). Interactions between H(B) and H(O) result in the production of H2, the energy barrier for this reaction is 34.14 kcal/mol. Compared to dark conditions, RuB@B-g-C3N4 exhibits higher catalytic activity under light irradiation, the reaction time from 9′20″ reduce to 8′. This shows that there is a synergistic effect between photocatalytic AB methanolysis and conventional metal catalyzed AB methanolysis in the RuB@B-g-C3N4 catalytic system. The study provides the novel way for the development of dual-function catalysts combining metal catalysis and photocatalysis through Ru and B modification of g-C3N4.

Lubrication properties of gallium-based liquid metals by doping bismuth

Ga-based liquid metal (GLM) is a promising high temperature lubricant but its lubricating properties still need to be further improved. In this work, the lubrication properties of bismuth doped Ga-base liquid metal in a vacuum environment were studied in a wide temperature range from room temperature (RT) to 600 °C, where the self-mated Inconel 625 alloy sliding-pairs were selected. The results indicate that the addition of a small amount of bismuth (0.5 wt%) in GLM can enhance its lubricating performance by suppressing the oxidation of gallium within the temperature range of 200 °C to 600 °C, thereby decreasing the wear of Inconel 625 alloy.

Moisture‐Resistant Orange Emitters with Near‐Unity Quantum Yield from Mn2+ Alloyed Vacancy‐Ordered Quadruple Perovskites

AbstractMn2+‐doped metal halide perovskites present remarkable optical properties in optoelectronic applications, although the realization of high efficiency and stability is still a challenge. In this work, a series of highly efficient and stable orange‐emitting Mn2+ alloyed Cs4Cd1‐xMnxBi2Cl12 single crystals are successfully synthesized via a hydrothermal reaction. Combined with the crystal structure and spectral characterization at 7 K, the site occupation of Mn2+ and defect emission are systematically discussed. Benefiting from the effective [BiCl6]3−→[MnCl6]4− energy transfer and lattice distortion, these single crystals exhibit a maximum internal and external quantum yield of ≈97% and ≈65% at 35% heavy doping level. Interestingly, these Mn2+‐alloyed single crystals exhibit remarkably waterproof stability, no decrease in emission intensity is observed after immersion in deionized water for 4 h. After soaking in deionized water for 100 days, the internal quantum yield can still maintain 44%, implying good chemical stability and moisture resistance due to the formation of protective BiOCl layer. This work provides new insights into the optimization mechanism for Mn2+ luminescence and overcoming the downside of their waterproofing in humid conditions.

Effect of metal (Cr, Sr, Ag, Cu) doping on the performance of lead-free RbSnI3 based perovskite solar cells: A theoretical approach

Perovskite solar cells based on lead have witnessed unprecedented growth over the past decade, achieving an impressive power conversion efficiency (PCE) of 26.1%. However, lead toxicity remains a concern for commercialization. In order to resolve the matter, scientists have been investigating alternative materials; in this context, rubidium-based lead-free perovskites like RbSnI3 may be a promising alternative because it has a high optical conductivity and absorption coefficient. Density Functional Theory (DFT)-based first-principles studies are used in this work to examine the effect of metal doping (specifically Cr, Sr, Ag, and Cu) on the optoelectronic and structural characteristics of orthorhombic RbSnI3 perovskite. In addition, we conducted a comprehensive study to investigate the impact of metal doping on the formation energy, structural stability, and HOMO–LUMO energy levels of RbSnI3 perovskite. Introducing transition metal cations (Cr2+, Ag+, and Cu+) at the Rb site results in a flat band in the conduction band region, transforming the RbSnI3’s indirect band gap into a direct one and significantly affecting the optoelectronic properties. The DFT results are then integrated into the Solar Cell Capacitance Simulator (SCAPS-1D) to estimate the effectiveness of the modeled device. The Cu-doped RbSnI3 device exhibits the highest PCE of 20.2%. Furthermore, Ag and Cu doping in RbSnI3 increases bond length, which reduces exciton binding energy and helps with charge carrier generation.

Cobalt concentration effect on the Structural, Magnetic and Optical properties of Zn1-xCoxSe Nanoparticles

Cobalt doped Zinc selenide (Zn1-xCoxSe where x = 0.00,0.03, 0.05, 0.07, 0.09, 0.1, 0.15) nanoparticles are synthesized using co-precipitation method. For studying structural properties of prepared samples, nanoparticles are characterized by XRD (X-ray diffraction),SEM (Scanning Electron Microscope) with EDX (Energy Dispersive X-ray Diffractometer), HRTEM (High resolution transmission electron microscope),Elemental composition confirmed by EDX (Energy Dispersive X-ray Diffractometer), Inductively coupled plasma (ICP) spectroscopy test and XPS (X-ray photoelectron microscope). XRD study confirms that prepared samples are crystalline in nature and size is appeared in nanometer range with cubic structure. Optical investigation is done by UV–visible spectra and PL spectra at room temperature which indicates change in energy band gap as doping of cobalt increases in host material due to quantum confinement which shows the altered optical properties due to doping of transition metal in host material. FTIR (Fourier transform infra-red) spectroscopy reports presence of different functional groups in nanoparticles and thermal stability is confirmed by TG/DTA(Thermogravimetric) analysis. Magnetic analysis by using ESR (electron spin resonance) and VSM (Vibrating Sample Magnetometer) confirms presence of ferromagnetic coupling in cobalt doped zinc selenide nanoparticles which make these nanoparticles suitable for using in different devices e.g. in magnetic storage devices, magnetic imaging, magneto-optics and sensors etc. Combined semiconducting and magnetic nature of these Co doped ZnSe nanoparticles make them useful in spintronics, magnetic storage devices etc applications.

An Unprecedented Metal Distribution in Silica Nanoparticles Determined by Single-Particle Inductively Coupled Plasma Mass Spectrometry.

Metal-containing nanoparticles are now common in applications ranging from catalysts to biomarkers. However, little research has focused on per-particle metal content in multicomponent nanoparticles. In this work, we used single-particle inductively coupled plasma mass spectrometry (ICP-MS) to determine the per-particle metal content of silica nanoparticles doped with tris(2,2'-bipyridyl)ruthenium(II). Monodispersed silica nanoparticles with varied Ru doping levels were prepared using a water-in-oil microemulsion method. These nanoparticles were characterized using common bulk-sample methods such as absorbance spectroscopy and conventional ICP-MS, and also with single-particle ICP-MS. The results showed that averaged concentrations of metal dopant measured per-particle by single-particle ICP-MS were consistent with the bulk-sample methods over a wide range of dopant levels. However, the per-particle amount of metal varied greatly and did not adhere to the usual Gaussian distribution encountered with one-component nanoparticles, such as gold or silver. Instead, the amount of metal dopant per silica particle showed an unexpected geometric distribution regardless of the prepared doping levels. The results indicate that an unusual metal dispersal mechanism is taking place during the microemulsion synthesis, and they challenge a common assumption that doped silica nanoparticles have the same metal content as the average measured by bulk-sample methods.

Realizing the effect of s-block metals on a charge transfer crystal of indol-2-one for enhanced NLO responses with efficient energetic offsets.

Due to their unique photophysical properties, organic charge transfer crystals are becoming promising materials for next-generation optoelectronic devices. This research paper explores the impact of s-block metals on a charge transfer crystal of indol-2-one for enhanced nonlinear optical (NLO) responses with efficient energetic offsets. The study reveals that alkali metals can enhance NLO performance due to their free electrons. The Perdew-Burke-Ernzerhof functional of DFT with dispersion correction (D3) was used, and the λmax values ranged between 596 and 669nm, with the highest value for dichloromethane (DCM). Leveraging the unique properties of metals allowed for the development of nonlinear optical materials with improved performance and versatility. Softness (σ) values provide insight into electron density changes, with higher values indicating a greater tendency for changes and lower values indicating the opposite. The NLO results for the chromophores MMI1-MMI6 show varying linear polarizability (< α0 >) along with their first (β0) and second (γ0) hyperpolarizabilities. Chromophore MMI4 stands out with the highest NLO performance, having two potassium (K) atoms. Its < α0 > , β0, and γ0 values of 4.19, 7.09, and 17.43 (× 10-24 e.s.u), respectively, indicate a significant enhancement in NLO response compared to the other chromophores. The transitions involving (O20)LP → (C3-N5)π* and (O19)LP → (N12-C13)π* exhibit the highest level of stabilization, followed by (O23)π → (C10-C11)π*, while (C6-N12)π → (C6-C7)π* shows the lowest level of stabilization for chromophore MMI4. The present research work is facile in its nature, and it can be helpful for synthetic scientist to design the new materials for uniting crystal properties with metal doping for efficient NLO devices.

CoMnOx Nanoflower-Based Smartphone Sensing Platform and Virtual Reality Display for Colorimetric Detection of Ziram and Cu2.

Transition metal doping is an ideal strategy to construct multifunctional and efficient nanozymes for biosensing. In this work, a metal-doped CoMnOx nanozyme was designed and synthesized by hydrothermal reaction and high-temperature calcination. Based on its oxidase activity, an "on-off-on" smartphone sensing platform was established to detect ziram and Cu2+. The obtained flower-shaped CoMnOx could exhibit oxidase-, catalase-, and laccase-like activities. The oxidase activity mechanism of CoMnOx was deeply explored. O2 molecules adsorbed on the surface of CoMnOx were activated to produce a large amount of O2·-, and then, O2·- could extract acidic hydrogen from TMB to produce blue oxTMB. Meanwhile, TMB was oxidized directly to the blue product oxTMB via the high redox ability of Co species. According to the excellent oxidase-like activity of CoMnOx, a versatile colorimetric detection platform for ziram and Cu2+ was successfully constructed. The linear detection ranges for ziram and Cu2+ were 5~280 μM and 80~360 μM, and the detection limits were 1.475 μM and 3.906 μM, respectively. In addition, a portable smartphone platform for ziram and Cu2+ sensing was established for instant analysis, showing great application promise in the detection of real samples including environmental soil and water.

Exploring the Regulatory Mechanism of ZnS Materials under Stress and Re Doping: Insights from Density Functional Theory

The application prospects of ZnS stress luminescent materials cover many fields such as high‐precision structural monitoring, smart materials, biomedical imaging, and new sensor technologies, which bring broad application prospects and significance to them in the fields of engineering, medicine, and scientific research. In this article, the electronic structure and optical properties of ZnS materials are successfully regulated by applying pressure and doping rare earth metals (Re), and it is found that the regulation of the luminescence properties of ZnS is the result of stress and doping interactions. Specifically, when pressure is applied or Re metal doping, the lattice structure is deformed and the atomic spacing is adjusted, which affects the electronic energy level distribution and optical properties of ZnS materials. Computational analysis of density functional theory (DFT) reveals the microscopic mechanisms behind these changes, including changes in lattice parameters, adjustment of bond length, and changes in band structure. This study provides theoretical guidance for the design and synthesis of high‐performance and high‐stability ZnS light‐emitting materials, and is of great significance for expanding the application of ZnS in the field of lasers and sensors.

Evaluation of antifungal activity of visible light-activated doped TiO2 nanoparticles.

Titanium dioxide (TiO2) is a well-known material for its biomedical applications, among which its implementation as a photosensitizer in photodynamic therapy has attracted considerable interest due to its photocatalytic properties, biocompatibility, high chemical stability, and low toxicity. However, the photoactivation of TiO2 requires ultraviolet light, which may lead to cell mutation and consequently cancer. To address these challenges, recent research has focused on the incorporation of metal dopants into the TiO2 lattice to shift the band gap to lower energies by introducing allowed energy states within the band gap, thus ensuring the harnessing of visible light. This study presents the synthesis, characterization, and application of TiO2 nanoparticles (NPs) in their undoped, doped, and co-doped forms for antimicrobial photodynamic therapy (APDT) against Candida albicans. Blue light with a wavelength of 450nm was used, with doses ranging from 20 to 60J/cm2 and an NP concentration of 500µg/ml. It was observed that doping TiO2 with Cu, Fe, Ag ions, and co-doping Cu:Fe into the TiO2 nanostructure enhanced the visible light photoactivity of TiO2 NPs. Experimental studies were done to investigate the effects of different ions doped into the TiO2 crystal lattice on their structural, optical, morphological, and chemical composition for APDT applications. In particular, Ag-doped TiO2 emerged as the best candidate, achieving 90-100% eradication of C. albicans.

Effect of metal doping on the microwave absorption performance of multi-element (metal, N, and Cl) doped carbon composites

Multi-element-doped carbons are actively being pursued as efficient lightweight microwave absorbers. In this work, metal, nitrogen and chlorine codoped carbons (metal,N,Cl–C, where metals = Ni, Co, Mn, or Zn) were synthesized through the high-temperature carbonization of polypyrrole doped with hydrochloric acid (PPy-HCl) and prepared in the presence of certain metal chloride salts (NiCl2, CoCl2, MnCl2, or ZnCl2). The dielectric parameters and microwave absorption properties of the metal,N,Cl–C composites could be regulated by simply altering the type of metal salt. Compared with N,Cl–C, it was discovered that Co,N,Cl–C and Ni,N,Cl–C possessed higher graphitization degrees, smaller particle sizes and more surface chemical functional groups (metal−N), which significantly improved the conduction loss and polarization loss effects including interfacial polarization and dipole polarization. At a filler ratio of 9.0 wt%, Ni,N,Cl–C displayed a wide effective absorption bandwidth (EAB, RL ≤ −10 dB) of 7.1 GHz at a thickness of 2.5 mm and a minimum reflection loss (RLmin) of −29.7 dB at 9.7 GHz and 3.5 mm thickness. Similarly, Co,N,Cl–C offered an RLmin value of −48.2 dB at 11.3 GHz and a thickness of 3.0 mm and an EAB of 6.0 GHz at a thickness of 2.5 mm. These results showcase the advantages of metal,N,Cl–C composites as microwave absorbers.

Introduction and Advancements in Room-Temperature Ferromagnetic Metal Oxide Semiconductors for Enhanced Photocatalytic Performance

Recent advancements in the field of room-temperature ferromagnetic metal oxide semiconductors (RTFMOS) have revealed their promising potential for enhancing photocatalytic performance. This review delves into the combined investigation of the photocatalytic and ferromagnetic properties at room temperature, with a particular focus on metal oxides like TiO2, which have emerged as pivotal materials in the fields of magnetism and environmental remediation. Despite extensive research efforts, the precise mechanism governing the interplay between ferromagnetism and photocatalysis in these materials remains only partially understood. Several crucial factors contributing to magnetism, such as oxygen vacancies and various metal dopants, have been identified. Numerous studies have highlighted the significant role of these factors in driving room-temperature ferromagnetism and photocatalytic activity in wide-bandgap metal oxides. However, establishing a direct correlation between magnetism, oxygen vacancies, dopant concentration, and photocatalysis has posed significant challenges. These RTFMOS hold immense potential to significantly boost photocatalytic efficiency, offering promising solutions for diverse environmental- and energy-related applications, including water purification, air pollution control, and solar energy conversion. This review aims to offer a comprehensive overview of recent advancements in understanding the magnetism and photocatalytic behavior of metal oxides. By synthesizing the latest findings, this study sheds light on the considerable promise of RTFMOS as effective photocatalysts, thus contributing to advancements in environmental remediation and related fields.

Boosting photocatalytic activity of β-PbO nanoparticles through metal doping

The current work focuses on the fabrication of pristine and metals (Co, Cu, Ni, Li, and Sn) doped β-PbO phase nanoparticles by cost-effective precipitation method. The properties of the produced nanoparticles were investigated using a variety of characterization techniques. The produced compound was a highly pure β-PbO phase, according to the XRD data. From the UV–vis DRS the obtained bandgap of pristine β-PbO, Co, Cu, Ni, Li, and Sn doped β-PbO was 2.68 eV, 1.88 eV, 2.01 eV, 2.65 eV, 2.64 eV, and 2.70 eV, respectively. The doped samples with the lowest photoluminescence (PL) intensities show the reduced photogenerated electron–hole pair recombination, which increased the photocatalytic activity of β-PbO nanoparticles. The study of the surface morphology by SEM reveals the irregular distribution of the particles. In both pristine and doped nanoparticles, EDX verifies the existence of the expected elements. In comparison to pristine β-PbO, all doped β-PbO nanoparticles have enhanced photocatalytic activity for the degradation of methylene blue (MB) dye under the irradiation of visible light. Among the doped nanoparticles, Cu and Co-doped β-PbO demonstrated particularly high performance. After 80 min of irradiation, Cu and Co-doped β-PbO showed 99.45% and 99.39% degradation rates of MB dye, compared to only 75.13% for pure β-PbO. Hence, the photocatalytic activity of pure β-PbO is boosted through metals doping due to bandgap narrowing, generation of impurity states, increased specific surface area, higher carrier concentration, reduced carriers recombination, the action of dopant ions, and microstructural changes.

A Computational Insight on the Effect of Doping of Transition Metals and Group V Elements on the Electronic Properties of Phosphorene

A Computational Insight on the Effect of Doping of Transition Metals and Group V Elements on the Electronic Properties of Phosphorene

Experimental and theoretical investigation on the high activity La0.8-xSr0.2KxMn1-yByO3-δ perovskite catalyst with combined A and B site modifications

In this work, a series of LaMnO3 (LM) perovskite catalysts modified at A and B sites were prepared to accelerate soot combustion. The La0.68Sr0.2K0.12Mn0.9Cu0.1O3-δ (LSK0.12MCu0.1) modified by Sr, K and Cu has good catalytic activity and cycle stability, the presence of NO can obviously promote the oxidation of soot. A variety of characterization results show that doping the A and B sites of perovskite will not destroy the original structure of perovskite, and the doped ions (Sr2+, K+, and Cu2+) can enter the perovskite catalyst well, which may be conducive to the formation of more oxygen defects and active oxygen species. According to the DFT calculation, adding Sr and K to the A sites can alter how atoms interact in a perovskite catalyst, increase the amount of unsaturated coordination bonds, and encourage the development of high-valence active ions (Mn4+) and oxygen defects. The doping of transition metal to the B sites results in the formation of the Cu-O-Mn link, which forms the Mn(Cu)O6 octahedron and stimulates the development of oxygen vacancies and the release of active oxygen. This study will provide an important reference for developing non-precious metal-based perovskite materials with high activity and low cost for catalytic combustion.