Altermagnets have garnered significant interest owing to their distinct crystallographic and spin symmetries, which exhibit vanishing net magnetization and momentum-dependent spin splitting. However, current research has primarily focused on inorganic altermagnetic materials. In this study, a two-dimensional (2D) Cairo pentagonal metal-organic framework (MOF) family, TM2(TCNQ)2 [TM = transition metal, TCNQ = 7,7,8,8-tetracyanoquinodimethane], is presented as a versatile platform for g-wave altermagnets. The applied tensile strain along the [110] direction results in enhanced spin-splitting and induces a Lifshitz transition between g-wave and d-wave altermagnet, as evidenced in monolayer Ru2(TCNQ)2. Additionally, a tight-binding model composed of the p-d orbital interactions for 2D Cairo pentagonal altermagnets accurately captures the gwave-to-d-wave phase transition. Furthermore, the [110]-strained Ru2(TCNQ)2 exhibits fascinating anisotropic spin plasmon propagation, presenting exciting prospects for spintronic applications. This work opens a novel pathway for the design and investigation of altermagnetic candidates using 2D MOF platforms.
2D semiconducting H-phase vanadium disulfide (VS2) has attracted significant research interest due to its exceptional potential in electronics, optoelectronics, spintronics, and valleytronics. In this work, VS2 thin films are synthesized via chemical vapor deposition for the application of photodetectors, revealing a tunable dual-photoconductivity effect induced by CO2 adsorption and light-assisted desorption. CO2 adsorption led to negative photoconductivity, achieving a remarkable responsivity of similar to 2680 A/W and an ultra-high external quantum efficiency of similar to 1.3 x 106%. In contrast, VS2 photodetectors free from CO2 adsorption exhibited stable positive photoconductivity, with a maximum responsivity and external quantum efficiency of similar to 0.11 A/W and similar to 30.47%, respectively. First-principles calculations demonstrate that CO2 exhibits superior adsorption and desorption capabilities on the VS2 surface compared to other ambient gas molecules (e.g., N2, O2, and H2O). This work highlights the profound influence of gas adsorption on the photoconductivity behavior of VS2 thin films, providing critical insights into their optoelectronic properties and enabling non-destructive modulation for advanced device applications.
Phase change fibers demonstrate abundant latent heat exchange, yet lack sufficient insulation against cold environments due to structural limits. Existing fluffy variants are hindered by PCM leakage, poor mechanical properties, and complex fabrication. Inspired by cotton's high porosity, mechanical durability, and practical applicability, we developed the phase change fiber aerogel (PCFA) by a simple strategy, combining a fibrous aerogel framework with microencapsulated phase change components. The PCFA exhibits outstanding thermal insulation (2.84 & times; 10-2 +/- 1.53 & times; 10-4 W/m & centerdot;K), further enhanced by low air permeability and moisture resistance. It presents a suitable phase change temperature (26.2 degrees C), appropriate latent heat density (43.5 J/g), and thermal cycling stability (1000 cycles). Notably, the PCFA demonstrates robust mechanical performance that withstands repeated bending, compression, stretching, and washing. The PCFA outperforms phase change fiber film and cotton in stabilizing skin temperature under various cold conditions, offering a promising solution for next-generation phase change textiles integrating thermal insulation and adaptive thermoregulation.
Bismuth oxyiodide (BiOI) features alternating [Bi2O2]2+ layers and double I− interlayers, which forms an intrinsic electric field that enhances charge carrier transfer and facilitates the efficient separation of photogenerated electron-hole pairs. Owing to its exceptional visible-light absorption capability and high photocatalytic activity, BiOI has emerged as a promising candidate for environmental remediation. Herein, BiOI microsphere photocatalysts were fabricated via a facile solvothermal method, and various morphologies were obtained through different synthesis conditions. Among all BiOI catalysts synthesized in this work, the flower-like BiOI hollow microspheres (BiOI-6) exhibited superior dark adsorption and extremely fast photocatalytic degradation rates, with ultra-rapid kinetics and excellent stability. The rate constant k of BiOI-6 reached 0.130 min-1, which is 8.7 times higher than those of BiOI-5 and BiOI-7. This catalyst demonstrated a zeta potential of −34.20 mV, ensuring high dispersion stability, and possessed a bandgap energy of 2.07 eV as estimated using the Kubelka-Munk equation with a valence band position of 1.50 eV as determined by XPS. The high efficiency of the flower-like BiOI hollow microsphere catalyst was attributed to its large specific surface area, porous hollow structure, narrow bandgap energy, high hydrophilicity (water contact angle of ∼30°), and enhanced charge carrier separation efficiency. Based on these findings, BiOI shows significant potential in the development of efficient and stable photocatalysts for wastewater pollution control and purification.
One-dimensional (1D) Yb6MoO12/Yb3Al5O12:Er composite ceramic nanofibers with diameters ranging from 90 to 120 nm were synthesized via electrospinning followed by thermal decomposition. This strategy successfully overcame the difficulty in fabricating pure Yb6MoO12 nanofibers, which suffer from poor spinnability and structural instability. Under 980 nm laser excitation, green and red up-conversion emission bands were observed, which originated from the radiative transitions of Er3+:(2H11/2, 4S3/2)-4I15/2 and 4F9/2-4I15/2, respectively. Benefiting from the porous structure, three-dimensional braid ability and high specific surface area, 1D Yb6MoO12/Yb3Al5O12:Er nanofibers exhibited outstanding up-conversion optical performance. Furthermore, the optical temperature sensing performance was investigated based on the fluorescence intensity ratio (FIR) of the emissions from the 2H11/2-4I15/2 and 4S3/2-4I15/2 transitions. The maximum relative sensitivity and absolute sensitivity reached 1.1% K−1 and 17.41×10−3 K−1, respectively, which indicates that the nanofibers have good thermal sensitivity. This demonstrates that rare-earth (RE) ion-doped 1D nanostructured phosphors possess superior up-conversion luminescence properties, providing a new strategy for developing high-sensitivity optical thermometric materials.
The reuse of spent catalysts as bed materials offers a practical route for improving biomass gasification while reducing material cost and waste disposal. In this study, the effects of bed material on biomass steam gasification were investigated in a lab-scale two-stage gasification system. White corundum (BM A) was used as an inert reference, while a spent commercial catalyst-derived material (BM B) and calcined olivine (BM C) were evaluated as catalytic bed materials under identical operating conditions. Among the three bed materials, BM B showed the best overall performance. Relative to the case using BM A, by using BM B resulted in the increase in the H2 yield from 23.1 to 36.4 mol/kg-biomass daf, while decreasing the CH4 concentration from 15.0 to 7.3 vol% and reducing the tar content from 640 to 380 mg/Nm3, corresponding to a tar reduction of about 41%. By comparison, BM C showed only limited improvement, giving a H2 yield of 22.6 mol/kg-biomass daf, a CH4 concentration of 13.5 vol%, and a tar content of 579 mg/Nm3. GC–MS analysis showed that BM B suppressed condensable aromatic tar species more effectively than BM A and BM C. XRF and XRD analyses revealed differences in composition and phase structure between BM B and BM C, and the superior performance of BM B was consistent with the presence of catalytically active Ni-containing components inherited from the spent methane-reforming catalyst. These results demonstrate that spent commercial catalysts can be effectively reused as low-cost bed materials for enhancing hydrogen-rich gas production and suppressing tar formation in biomass steam gasification.
Phase change fibers, as an advanced functional material for human body thermal management, have significant potential for practical applications. However, current research systems face critical limitations: traditional phase change fibers prepared via wet spinning and electrospun phase change fiber films encounter insufficient thermal insulation due to their structural compactness deficiencies, thereby failing to effectively prevent body heat loss in cold environments. To tackle this technical challenge, this work breaks through traditional material system limitations by innovatively employing electrospinning technology to integrate polyethylene glycol (PEG) into polyacrylonitrile (PAN) fiber systems. We successfully fabricate fluffy structured phase change fibers that integrate both phase change thermoregulation and thermal insulation functions using the principle of non-solvent-induced phase separation. The internal porous structure of the fluffy fibers constructs an effective cold protection layer, exhibiting an ultra-low thermal conductivity of 0.0395 W/mK. At the same time, the PEG phase change component provides a high latent heat of 80.6 J/g, achieving a synergistic effect of temperature regulation and thermal insulation. The material exhibits excellent structural and thermal stability: maintaining stable phase change performance after 500 thermal cycles and exhibiting exceptional thermal reliability up to 300 degrees C. Even above the phase change melting point, the material effectively prevents leakage of the phase change component. Furthermore, it possesses sufficient mechanical properties to withstand various deformations such as bending, compression (668.7 Pa), and stretching (253.5 kPa) without structural collapse. Practical application evaluations further demonstrate that the material's cold protection performance significantly exceeds that of natural cotton. This study not only provides an innovative strategy for fabricating integrated "heat storage-thermal insulation" fibers, but also conceptually expands the design dimensions of phase change fibers in thermal management, offering important solutions and theoretical guidance for developing high performance wearable cold protection materials.
Although 2D/3D perovskite heterostructures enhance performance in perovskite solar cells (PSCs), conventional mono-functional spacers display inadequate defect passivation and energy-level misalignment, accelerating grain-boundary degradation and nonradiative losses, thus limiting power conversion efficiency (PCE) and stability. Herein, we designed a multisite-functionalized thiazole-based spacer, 2-(2-amino-4-thiazolyl)acetic acid (ATAA), capable of synergistically healing grain boundaries (GBs) and realigning energy levels in 2D/3D perovskites. ATAA features polyfunctional groups that coordinate undercoordinated Pb2+ simultaneously stabilizing FA(+)/MA(+) and I-/Br- through hydrogen-bond networks. This multi-site interaction mediates interfacial structural reorganization and elevates defect formation energy, thereby effectively suppressing degradation at high-risk GBs while reducing non-radiative recombination. Furthermore, ATAA upshifts the valence band maximum (VBM) by 0.12 eV, optimizing interfacial energy alignment and facilitating charge extraction. The optimized device achieves a champion PCE of 25.82%, while large-area device (1 cm(2)) maintains a high PCE of 24.68%. Enabled by triple synergistic effects of ATAA in establishing 2D perovskite shielding, reinforcing hydrogen-bond networks, and healing GBs, the devices exhibit outstanding humidity, thermal, and light stability, retaining 91% of the initial PCE after 1 200 h of maximum power point tracking (ISOS-L-2 protocol) under continuous illumination. This work provides both a novel material solution and fundamental design principles toward high-performance manufacturable PSCs.
Hydrogen energy, as a clean, efficient, and renewable secondary energy carrier, plays a pivotal role in the global energy transition and the achievement of "dual carbon" goals. Among the various hydrogen production pathways, water electrolysis has emerged as the most promising approach for green hydrogen generation owing to its zero carbon emissions during operation and the high purity of the hydrogen produced. However, conventional electrolysis technologies depend heavily on noble-metal catalysts, such as platinum and iridium oxide, whose high cost and limited abundance severely restrict large-scale industrial deployment. Therefore, the development of high-performance, durable, and cost-effective catalysts for water electrolysis remains a critical challenge for the advancement of hydrogen energy technologies. Polyoxometalates (POMs), a class of nanoscale metal–oxygen clusters composed of transition metals such as molybdenum and tungsten, have emerged as promising alternatives owing to their diverse redox states, molecular-level tunability, high negative charge density, and excellent structural stability. This review systematically elucidates the advantages of POM-based materials for both the hydrogen evolution reaction and the oxygen evolution reaction in water electrolysis. By integrating recent advances, it summarizes diverse strategies aimed at overcoming the current limitations of POM electrocatalysts. Finally, the review discusses the opportunities and challenges associated with using POM compounds to enhance water electrolysis performance for hydrogen production and, by synthesizing state-of-the-art research directions, and provides an outlook on future trends in this rapidly developing field.
Nature achieves remarkable multifunctionality by integrating chemically dissimilar phases into hierarchically organized architectures. Inspired by this principle, we develop a simple and universal strategy to construct bio-composite aerogels by incorporating trivalent metal chlorides (MCl3) into biopolymer chitosan (CTS) matrices. Coordination-driven assembly in aqueous media enables the direct formation of metal ion-coordinated chitosan (CTS-M) aerogels without external acids or additional crosslinkers. These aerogels exhibit reversible brittle-to-flexible transitions under humidity stimuli, together with exceptional mechanical resilience, enabling self-adaptive thermal insulation under temperature extremes. Upon pyrolysis, the same precursor is converted into conductive carbon-metal oxide (C-M2O3) aerogels, where metal oxide nanocrystals are embedded within an interconnected carbon framework. This structural integration couples a continuous electron-transport network with redox-active domains, thereby promoting charge-transfer and increasing accessible storage sites. As a representative example, the C-V2O3 cathode for aqueous zinc-ion batteries (ZIBs) delivers excellent energy-power performance (656 Wh kg-1 at 200 W kg-1, 178 Wh kg-1 at ∼20 000 W kg-1) with 85% capacity retention after 10 000 cycles, outperforming previously reported carbon-metal oxide systems. By linking adaptive thermal regulation and electrochemical energy storage through a single precursor-to-function pathway, this work establishes an evolution-driven aerogel design paradigm for next-generation multifunctional materials.
Two-dimensional (2D) RexMo1-xS2 ternary transition-metal dichalcogenides are attracting increasing attention because their bandgap and conductivity are tunable, and their conductivity type can be switched from n-type to p-type through phase engineering, enabling applications in photodetection and photocatalysis. However, a high density of grain boundaries in 2D RexMo1-xS2 films strongly scatters carriers and degrades the photodetector performance. Here, we address this limitation by constructing a Re0.58Mo0.42S2/GaSe heterostructure, in which exfoliated 2D GaSe flakes, as a high-quality carrier transport layer, are dry-transferred and inserted between Re0.58Mo0.42S2 and the metal electrodes. Re0.58Mo0.42S2 with a thickness of 2.5 nm and a lateral size up to 1 cm was grown on mica by low-pressure chemical vapor deposition (LPCVD). The film exhibits a mixed crystal structure of 1T' and 2H phases, which are p-type and n-type, respectively. The 1T'/2H interface forms a p-n junction that promotes separation of photogenerated carriers, while the band alignment in the heterostructure drives hole transfer to GaSe, thereby improving carrier separation and transport. The Re0.58Mo0.42S2/GaSe photodetector achieves a responsivity (R) of 840 A/W, an external quantum efficiency (EQE) of 2.32 × 105%, a specific detectivity (D*) of 1.10 × 1010 Jones, and a rise/decay time of 3 ms/1 ms, outperforming devices based solely on Re0.58Mo0.42S2 or GaSe. These results demonstrate that heterostructures based on two-phase mixed ternary semiconductors are promising for high-performance photodetection.
Alumina aerogels are promising candidates for high-temperature thermal insulation, yet simultaneously achieving high compressibility and high-temperature thermal stability remains challenging. In this work, phase field simulations of three representative aerogel skeletons reveal that skeleton morphology and density are the key determinants of sintering resistance. Guided by these insights, we developed a chitosan-templated synthesis route that enables the formation of a nanofibrous alumina structure. Coordination between aluminum ions and chitosan chains directs the growth of alumina along the chitosan nanofibrils, and a nanofibrous alumina (NFA) aerogel was obtained after gelation, ethanol supercritical drying, and template removal. The resulting NFA-5 aerogel exhibits a high specific surface area of 532 m2/g. After compositing with basalt fiber felt and mullite fiber felt, the resulting composites achieves maximum uniaxial compressive stresses of 5.7 MPa and 2.8 MPa at 80% strain, respectively, together with low thermal conductivities of 0.022 and 0.026 W/(m center dot K). The fibrous structure effectively suppresses the high-temperature sintering of alumina, enabling the material to retain a high specific surface area of 230 m2/g and a low linear shrinkage of 11% even at 1200 degrees C. This strategy provides a viable route to control sintering behavior, and enhance the structural stability of alumina aerogels for hightemperature applications.
Covalent organic frameworks (COFs) are ideal for overall photocatalytic water splitting (OWS) due to modular design, ordered π-conjugated structures, and tunable optoelectronic properties. However, weak driving force and rapid photogenerated carrier recombination limit their performance. Using two experimentally synthesized COFs (TTA-BTPA, TAPB-BTPA) as models, we propose 2D COFs with in-plane/out-of-plane dual polarities as an effective solution. First-principles calculations show imine bond-induced in-plane polarity and vertical asymmetry-derived out-of-plane polarity split bilayer energy levels, forming dual type-II band alignment. This synergy enhances intra/inter-layer charge separation, suppressing carrier recombination compared to in-plane-only monolayers. The built-in electric field boosts the driving force by reducing the hydrogen reduction potential. Nonadiabatic molecular dynamics (NAMD) confirms a dual type-II mechanism, and the calculated TTA-BTPA bilayer's carrier lifetime (37.57 ns) is 6.61 times that of its monolayer (5.69 ns). Both bilayers exhibit excellent visible-light absorption, split pure water without external bias, and achieve the theoretical up-limit of solar-to-hydrogen (STH) efficiency >10%. Our work elucidates polarity synergy's role and provides theoretical guidance for high-performance 2D COF-based OWS photocatalysts.
Scalable manufacturing of perovskite solar cells is fundamentally limited by the vulnerability of perovskite crystallization to ambient moisture and oxygen, particularly during blade coating where an extended pre-annealing interval exposes unstable intermediates. Here, we introduce a surface-confined protection strategy to intrinsically stabilize perovskite film formation under ambient conditions. By introducing dipropylammonium trifluoroacetate (DPTA) into the perovskite precursor ink to spontaneously form a dense and self-assembled surface layer, selectively shielding the wet perovskite pre-film from environmental attack during the critical pre-annealing stage. This transient yet effective barrier preserves the PbI2·NMP intermediate to prevent pre-annealing degradation of the perovskite lattice even at high humidity. Simultaneously, the multifunctional ionic nature of DPTA allows strong coordination and hydrogen-bonding interactions with the perovskite lattice, leading to reduced bulk and interfacial defects. As a result, air-processed blade-coated MA-free perovskite solar cells reach an efficiency of 26.14% (certified at 25.75%), and retain 93.11% of the initial efficiency after 1300 h under continuous 1 sun illumination tested at maximum-power-point. The strategy readily translates to manufacturing-relevant perovskite solar modules, delivering 22.72%-efficiency on substrate area of 100 × 100 mm2. These results establish surface-confined protection as a general principle for scalable perovskite photovoltaics under ambient conditions.
Twisting magnetic van der Waals materials provides a compelling approach to generate emergent spin textures through moir & eacute; engineering. In this study, we show that a twisted bilayer formed by two antiferromagnetic MnSe monolayers exhibits sublayer-resolved i-wave altermagnetic spin splitting. Combining first-principles calculations with a symmetry-constrained continuum theory, we reveal that this spin splitting originates from the rotational misalignment between two hexagonal warping parabolic band dispersions of the monolayer, coupled with sublayer-dependent moir & eacute; potentials arising from interfacial charge redistribution. While both AA-and AAR-twisted configurations display similar patterns of altermagnetic splitting, the underlying symmetry mechanisms are fundamentally distinct. In AA-twisted configuration, the effect is driven by locally inversion symmetric moir & eacute; potentials in the two layers, whereas in AAR-twisted configuration, it is dictated by a global in-plane C2 symmetry that enforces opposite moir & eacute; potential phase relations between the magnetic sublayers. Additionally, we observe that altermagnetic splitting diminishes with decreasing twist angle, indicating a weakening of the rotational misalignment between the warping dispersions and a reduction in moir & eacute; momentum scale. Our results establish twisted MnSe as a representative system for layered antiferromagnets with spin-layer coupling and anisotropic warping band edge, offering a versatile platform for engineering twist-induced altermagnetic phases.
Current research on rhenium disulfide (ReS2) primarily focuses on small-scale thin sheets, but large-scale two-dimensional (2D) monolayer growth is challenging, with poor photodetector performance. Therefore, an in-depth investigation into the growth process of large-scale ReS2, along with exploring approaches to enhance its optoelectronic performance, will overcome limitations and support scalable production for industrial applications. In this study, we optimized the atmospheric-pressure chemical vapor deposition (APCVD) process to achieve centimeter-scale continuous monolayer ReS2 films. Furthermore, annealing treatment significantly enhances the optoelectronic performance of ReS2, with the annealed ReS2 film-based photodetector exhibiting a responsivity (R lambda) of 0.37 A W-1 and an external quantum efficiency (EQE) of 101.94% under 450 nm illumination, while achieving rapid response and decay times of 2.1 s and 2.0 s, respectively. Remarkably, the ReS2 (annealed)/GaSe van der Waals heterojunction photodetector demonstrates unprecedented performance, exhibiting an ultrahigh R lambda of 48.22 A W-1, an exceptional EQE of 1.33 & times; 104%, along with a high detectivity of 1.20 & times; 1012 Jones and an impressive on-off ratio of 4.74 & times; 103. Meanwhile, it maintains a fast response speed. These findings not only provide new insights into the synthesis of ReS2 but also highlight its great potential for next-generation high-performance optoelectronic devices.
Eu 3+ doped NaLaMgWO 6 red phosphors were prepared by solid state sintering method. The electronic structures of the phosphors are evaluated through density functional theory calculation. The band structure and density of states are studied. Y 3+ or Lu 3+ ions were adopted to enhance the luminescence properties of the red phosphors. When excited at 465 nm, these phosphors present strong red emission at 618 nm. The octahedral distortion leads to the improvement of the luminescence performance of the NaLaMgWO 6 : Eu 3+ phosphors. The photoluminescence intensity at 150 °C is 77% of that at room temperature. The chromaticity coordinates of prepared phosphors are in the red region and near the standard value for red color. These results indicate that this series of tungstate phosphors can serve as a potential red emitting material for lighting devices.
The practical application of LiCoO2 (LCO) at high voltages (≥4.6 V) is hindered by irreversible phase transitions, lattice oxygen release, and sluggish Li+ diffusion. Herein, a La-F co-doping strategy is proposed to synergistically modulate the structural and electronic properties of LCO. The density functional theory (DFT) calculations are performed to elucidate the underlying mechanism. Thermodynamic analysis reveals that La3+ preferentially occupies Li+ sites, and the optimal La-F co-doping configuration exhibits a stable Ef of -0.504 eV. La-F co-doping balances lattice expansion, narrows the band gap to 0.774 eV (superior to single-doped systems), and synergistically optimizes the electronic structure. La-5p orbitals form ionic La-O “pillars” to reinforce bulk lattice integrity, while F-2p orbitals modulate Co-O covalency and suppress oxygen vacancy formation. Electrochemically, the co-doped LCO achieves a reduced Li+ migration energy barrier of 0.312 eV, mitigates c-axis contraction to ~2% during delithiation, elevates the oxygen vacancy formation energy to 1.69 eV (vs. 1.17 eV for pristine LCO), and maintains an intercalation voltage of 3.62 V compatible with commercial electrolytes. These enhancements arise from the complementary roles of La (bulk structure stabilizer) and F (electronic structure tuner/oxygen retention agent). This study provides a rational design paradigm for high-voltage LCO-based cathodes and advances the development of next-generation high-energy-density, long-cycle-life LIBs for portable electronics and electric vehicles.
The practical application of LiCoO2 (LCO) at high voltages (≥4.6 V) is hindered by irreversible phase transitions, lattice oxygen release, and sluggish Li+ diffusion. Herein, a La-F co-doping strategy is proposed to synergistically modulate the structural and electronic properties of LCO. The density functional theory (DFT) calculations are performed to elucidate the underlying mechanism. Thermodynamic analysis reveals that La3+ preferentially occupies Li+ sites, and the optimal La-F co-doping configuration exhibits a stable Ef of -0.504 eV. La-F co-doping balances lattice expansion, narrows the band gap to 0.774 eV (superior to single-doped systems), and synergistically optimizes the electronic structure. La-5p orbitals form ionic La-O “pillars” to reinforce bulk lattice integrity, while F-2p orbitals modulate Co-O covalency and suppress oxygen vacancy formation. Electrochemically, the co-doped LCO achieves a reduced Li+ migration energy barrier of 0.312 eV, mitigates c-axis contraction to ~2% during delithiation, elevates the oxygen vacancy formation energy to 1.69 eV (vs. 1.17 eV for pristine LCO), and maintains an intercalation voltage of 3.62 V compatible with commercial electrolytes. These enhancements arise from the complementary roles of La (bulk structure stabilizer) and F (electronic structure tuner/oxygen retention agent). This study provides a rational design paradigm for high-voltage LCO-based cathodes and advances the development of next-generation high-energy-density, long-cycle-life LIBs for portable electronics and electric vehicles.
The LaZnAsO codoped with Alkaline Earth, Cr and Mn is being researched for controlling electronic structure and magnetism within the framework of density functional theory. Non-magnetic LaZnAsO exhibits magnetic and semi-metallic characteristics when doped with Cr and Mn alone. The hybridization of the Cr-3d, Mn-3d and As-p orbits is primarily responsible for the magnetic characteristics. The atomic magnetic moment does not vary much for one Alkaline Earth and Cr codoped LaZnAsO, and the system retains ferromagnetic stability. According to the band-coupling model, ferromagnetic stability is determined jointly by the p-d exchange at the Fermi level. Even if the system is still in a ferromagnetic stable state for two Alkaline Earth and Cr codoped LaZnAsO, the stability and atomic magnetic moment both decline. For Alkaline Earth and Mn codoped LaZnAsO, the other systems are antiferromagnetic stable states, with the exception of the single Sr and Mn codoped system that changes to a ferromagnetic state. However, the addition of Alkaline Earth results in a reduction of antiferromagnetism when compared to the Mn single doping system.