Properties Of Crystals Research Articles

Controllably Constructing morphology and structure of potassium chloride crystal by green supersaturation modulation

Controllable and green construction of morphology and structure in potassium chloride (KCl) crystals is necessary in the fields of pharmaceuticals, catalysis, minerals, and jewels design. Here, the work presented a lucid way for preparing KCl crystal with various morphology including hopper-, sphere- and hollow cube-like structure through green supersaturation modulation. Parameters including stirring speed, cooling range, cooling rate, and excess inorganic composing ions influenced the growth kinetics of hopper KCl crystal as well as the surficial morphology and structure: (1) Metastable region and stable conditions were beneficial for uniform growth of crystal; (2) Small size of crystal particles were obtained with high shear force; (3) Corner angle of crystal would be abraded in slow cooling rate; (4) Non-uniform crystal appeared in improper cooling range condition; (5) Additional composing ions might introduce deformed structure according to the basic crystal repeating unit with corresponding elements. Based on the above study of growth kinetics, hopper-, sphere- and hollow cube-like crystal were obtained. The morphology and structure properties of various crystal were researched by three-dimensional visualization, X-ray diffraction (XRD), and scanning electron microscope (SEM) for optimized application such as higher exposing surface area of hopper-like crystal than original cubic crystal. The main exposed faces for smooth cubic, hollow cubic, and hopper structure exhibited were (200), (220), and (400) facet, respectively, which could be a consequence of the inner beveling. Surface of spherical structure was a circular arc with relative high roughness, being ascribed to the formation mechanism of spherical structure from cubic structure. Therefore, the work presented a strategy to controllably design KCl crystal with different structure and morphology in a green way.

Preparation, optical properties, room temperature ferromagnetism, and mechanism of ordered nanotube-like tantalum oxide films

Physical property changes caused by defects have recently attracted significant attention due to their potential applications in sensors, spintronic devices, and multifunctional memory. Due to their numerous surface defects, this study fabricated ordered Ta2O5 nanotube (NT) thin films on Ta foil through an anodization technique. Then, the oxygen bubble model was applied to explain the formation of NTs from the perspective of lattice orientation. Furthermore, this study investigated influence of anodization duration and annealing treatment on the crystal structure, optical properties, and magnetic behavior. Notably, room-temperature ferromagnetism was observed in the as-prepared Ta2O5 NTs for the first time. After annealing in an argon atmosphere, the band gap of the sample decreased, accompanied by an increase in ferromagnetism. The underlying mechanism for this phenomenon was elucidated using a hydrogen-like impurity model. Consequently, this study on the magnetism of Ta2O5 NTs holds excellent potential for expanding their application in spin electronic devices.

A Systematic Review of Modeling and Simulation for Precision Diamond Wire Sawing of Monocrystalline Silicon.

Precision processing of monocrystalline silicon presents significant challenges due to its unique crystal structure and chemical properties. Effective modeling and simulation are essential for advancing the understanding of the manufacturing process, optimizing design, and refining production parameters to enhance product quality and performance. This review provides a comprehensive analysis of the modeling and simulation techniques applied in the precision machining of monocrystalline silicon using diamond wire sawing. Firstly, the principles of mathematical analytical model, molecular dynamics, and finite element methods as they relate to monocrystalline silicon processing are outlined. Subsequently, the review explores how mathematical analytical models address force-related issues in this context. Molecular dynamics simulations provide valuable insights into atomic-scale processes, including subsurface damage and stress distribution. The finite element method is utilized to investigate temperature variations and abrasive wear during wire cutting. Furthermore, similarities, differences, and complementarities among these three modeling approaches are examined. Finally, future directions for applying these models to precision machining of monocrystalline silicon are discussed.

Investigation on waveguide and directional transmission properties of a tunable liquid-solid phononic crystal based on rotation of scatterer

Investigation on waveguide and directional transmission properties of a tunable liquid-solid phononic crystal based on rotation of scatterer

MolPackL: Quantification and Interpretation of Intermolecular Interactions Driven by Molecular Packing.

In organic optoelectronic devices, the properties of the aggregated organic materials depend not only on individual molecules or monomers but also significantly on their packing modes. Different from their inorganic counterparts linked by explicit covalent bonds, organic solids exhibit intricate and numerous intermolecular interactions (IMIs). Due to the intrinsic complexity and disorder of IMIs, identifying and understanding them is a formidable challenge in experimental, theoretical, and data-driven approaches. In this work, we constructed an innovative algorithm framework, Molecular Packing Learning (MolPackL), which can accurately quantify elusive IMIs using contact density histograms (CDHs) and efficiently extract intermolecular features for further property prediction of organic solids. It performs satisfactorily in training predictive models of IMI-related properties in molecular crystals. Particularly, the band gap predictive model based on MolPackL achieved the best-reported performance, with an MAE of 0.20 eV and an impressive R2 of 0.92. Class activation mapping (CAM) visually demonstrates MolPackL's accurate identification of effective interaction sites as the molecular packing changes. What is more, the elemental importance analysis verified that the superior score benefits from MolPackL's ability to comprehensively consider multiple influencing factors of IMIs. In summary, MolPackL provides a new framework for quantitative assessment and understanding of the effect of IMIs. The development of MolPackL marks a significant advancement in establishing predictive models of molecular aggregates, deepening the comprehension of IMIs on the material properties. Given the superior performance, we believe that MolPackL will also become a powerful tool in the design of high-performance organic optoelectronic materials.

Investigation on the Thermal–Mechanical Properties of YbRESiO5 (RE = Yb, Eu, Gd, Ho, Tm, Lu, Y, Sc): First-Principles Calculations and Thermal Performance Experiments

Environmental barrier coatings are critically needed in the future to safeguard SiC-based ceramic matrix composites (SiC CMCs) used in gas turbines. Element doping of rare earth monosilicates could further improve the properties of the coating. The crystal structure, elastic properties, and resistance to water vapor corrosion of Yb2SiO5 and YbRESiO5 (where RE = Sc, Y, Eu, Gd, Ho, Tm, Lu) were examined in this study using first-principles calculations. When RE is Yb, the material is Yb2SiO5. Based on the outcomes of the calculation, we prepared YbRESiO5 (RE = Sc, Yb, Eu) and studied the thermodynamic properties. The findings show that YbReSiO5’s resistance to water vapor corrosion is as follows: YbLuSiO5 < YbEuSiO5 < YbGdSiO5 < YbYSiO5 < Yb2SiO5 < YbTmSiO5 < YbHoSiO5 < YbScSiO5. YbScSiO5 has a lower unit cell volume, average Re-O bond length, and thermal expansion coefficient than Yb2SiO5, while YbEuSiO5 has the reverse pattern. Moreover, of the eight materials, YbScSiO5 has the greatest elastic modulus and lattice distortion. After doping with Eu, YbEuSiO5 exhibits a decrease in thermal conductivity by nearly thirty percent compared to Yb2SiO5, due to the formation of oxygen vacancies. The development of environmental barrier coating materials may benefit from these discoveries.

Ferromagnetic nanoparticle-mediated manipulation of nematic liquid crystal properties: Threshold voltage reduction and alignment enhancement

Present investigation covers the dielectric and electro-optical study of nematic liquid crystal (NLC) 1823 A dispersed with the ferromagnetic nanoparticles (FNPs) Fe3O4. Three concentrations of nanoparticles (NPs) in the NLC matrix namely 0.1 wt/wt%, 0.3 wt/wt%, and 0.5 wt/wt% are prepared and perceptible changes in the various properties are compared with the pure NLC. Variation of dielectric permittivity (εꓕ) with the variation of frequency and variation of temperature is studied. Dielectric permittivity (εꓕ) is just found to be decreased as we increased the concentration of NPs, which shows that the applied electric field is less impactful on the prepared composites. It is also found that the dielectric permittivity (εꓕ) is increased with the increase of temperature. Birefringence is found to be decreased with the increase in the concentration of the NPs which showed that the orientational order of NLC 1823 A is got to be disturbed due to the presence of the NPs. It is also shown that as the temperature is increased, birefringence is found to get decreased due to its approach toward isotropic phase. Threshold voltage is found to be decreased by 56.25% for the 0.3 wt/wt% and by 25% for 0.1 wt/wt% composite which are pretty good result in context of achieving the low power optical switching devices. The results achieved are tried to be explained on account of the interaction between NLC and NPs.

Structural stability and metallization of orpiment at high pressure

Binary arsenic sulfide compounds have garnered significant attention owing to their wide-ranging physical properties and promising potential in the domains of electronics and optoelectronics. As a naturally abundant and historically significant semiconductor mineral, orpiment (crystalline As2S3) has encountered limited utilization in the realm of optoelectronics due to its considerable bandgap width. For orpiment with its quasi-two-dimensional layered structure, pressure is one of the most effective methods to regulate its crystal structure and physical properties. In this work, the structural behavior, optical and electrical properties of orpiment under high pressure have been investigated systematically utilizing a combination of experimental methods and theoretical calculations. The monoclinic structure of orpiment is stable up to 48 GPa without structural phase transitions involving changes in the space group occurred. The noticeable changes of lattice parameters, axial ratios, and interatomic distances above 20 GPa are ascribed to a transformation from a two-dimensional layered structure to a quasi-three-dimensional crystal framework. Continuous lattice contraction upon compression is accompanied by gradual bandgap narrowing, which leads to metallization of orpiment. The pressure-induced metallization of orpiment occurs above 40 GPa. The structural behavior, optical and electrical properties of orpiment at high pressure exhibit reversible hysteresis upon pressure release. This study offers a high-pressure approach for modulating crystal structure and physical properties of orpiment to expand its potential applications in the fields of electronics and optoelectronics.

Crystal growth and magnetic properties of atom K embedded in Na5Co15.5Te6O36

In this paper, we report the structural, magnetic and specific heat properties of a new compound Na2.67K1.33Pb0.67Co15.33Te6O36 (NKPCTO). The compound can be regarded as a new system charactered by the K and Pb atom embedded in the Kagome system Na5Co15.5Te6O36 (NCTO). In the new structure, we find that the disordered occupations of the Na and Co(3) atoms is irrelevant to K atom site, and Pb has same site with K. The ground state is proposed to have an effective S = 1/2 due to the 3d7 Co2+ ion in octahedral coordination and considerable spin–orbit coupling. Magnetic and specific heat data uncover that only an antiferromagnetic phase transition develops in NKPCTO at 49 K. There are also ferromagnetic correlations above the Neel temperature, as well as anomalous hysteresis loops and multiple field-induced magnetic transitions at low temperatures.

Sustainable PLA Bio-Nanocomposites: Integration of TPU Nanofibrils and CNC for Enhanced Crystallization, Toughness, Stiffness, Transparency, and Oxygen Barrier Properties

Sustainable PLA Bio-Nanocomposites: Integration of TPU Nanofibrils and CNC for Enhanced Crystallization, Toughness, Stiffness, Transparency, and Oxygen Barrier Properties

Magnetic splitting induced ferromagnetism in chromium-doped HfSe2

Two-dimensional (2D) magnetic layered materials have gained significant interest in spintronic for memory storage devices. Herein, the electronic and magnetic properties of high-quality single crystals of chromium (Cr)-doped hafnium diselenide were studied. The electronic study indicated that the Cr-doped HfSe2 reveals the semiconducting nature with a proper bandgap as identified by angle-resolved photoemission spectroscopy and first-principle density functional theory (DFT) calculations. The magnetic results indicate that the HfSe₂ exhibited ferromagnetic characteristics with the substitution of Cr atoms in a perpendicular direction. The Cr-doped HfSe2 sample shows a ferromagnetic phase below ∼58 K, indicating the critical temperature (Tc) of magnetic order, while above this temperature, it shows a paramagnetic phase that can follow the Curie-Weiss Law. It can be seen that the magnetic moment is approximately 0.16 emu/g at 5 K, which further decreases with increasing temperature until 60 K and then transforms to a paramagnetic phase. The sample can clearly show a weak out-of-plane magnetic anisotropy with a coercivity of around 50.56 Oe and a saturation magnetization value of 0.029 emu/g. Convincingly, it was observed from the ARPES results that the valence band is split due to the spin-orbit interaction of Cr atoms, which can induce ferromagnetic order. At the same time, the temperature-dependent ARPES data shows that the splitting is higher below the Tc, while it is weaker above the Tc. The DFT results revealed that near the Fermi level, the spin-up and spin-down are spin-polarized with asymmetric trends. It can be observed that substituting Cr on the octahedral sites of Hf atoms influences the electron spin order created by Hf vacancies (as validated by the magnetic coupling measured by electron paramagnetic resonance spectroscopy experiments), which can change the magnetic alignment to induce the magnetism in HfSe2. This study highlights that doping transition metal in HfSe2 has promising potential for future applications, especially in memory devices and spintronic technologies.

Mesoscale modeling of deformations and defects in thin crystalline sheets

We present a mesoscale description of deformations and defects in thin, flexible sheets with crystalline order, tackling the interplay between in-plane elasticity, out-of-plane deformation, as well as dislocation nucleation and motion. Our approach is based on the Phase-Field Crystal (PFC) model, which describes the microscopic atomic density in crystals at diffusive timescales, naturally encoding elasticity and plasticity effects. In its amplitude expansion (APFC), a coarse-grained description of the mechanical properties of crystals is achieved. We introduce surface PFC and surface APFC models in a convenient height-function formulation encoding deformation in the normal direction. This framework is proven consistent with classical aspects of strain-induced buckling, defect nucleation on deformed surfaces, and out-of-plane relaxation near dislocations. In particular, we benchmark and discuss the results of numerical simulations by looking at the continuum limit for buckling under uniaxial compression and at evidence from microscopic models for deformation at defects and defect arrangements, demonstrating the scale-bridging capabilities of the proposed framework. Results concerning the interplay between lattice distortion at dislocations and out-of-plane deformation are also illustrated by looking at the annihilation of dislocation dipoles and systems hosting many dislocations. With the novel formulation proposed here, and its assessment with established approaches, we envision applications to multiscale investigations of crystalline order on deformable surfaces.

Distinct High-Pressure Responses of Halide Perovskites from Bulk to Low Dimension

Hybrid organic-inorganic perovskites (HOIPs) are low-cost and highly efficient optoelectronic and photovoltaic materials for applications in solar cells, light emitting diodes (LEDs), and so on, which is correlated with their intrinsic structures. Now the hybrid perovskite families include three-dimensional (3D) (CH3NH3PbBr3), two-dimensional (2D) ((C4H9NH3)2(CH3NH3)n-1PbnI3n+1) and nanostructured ((CH3NH3PbBr3 nanoparticles) materials. Herein, well understanding the relationship between the cystal structures and the related functional properties of HOIP materials is essential to the application point of view. High pressure up to gigapascal, offers a comprehensive way to study the structure-property correlation of solid materials in the atomic level, where both crystal structures and electronic properties are changed dramatically.In this presentation, high pressure induced dramatically inorganic and organic part changes in 2D HOIPs are comprehensively studied[1,2], as shown in Figure 1. On the other hand, structural phase transition and morphology changes are also explored in 3D HOIP and their nanoparticles[3], as shown in Figure 2. All the high pressure-induced inorganic structural transition is resolved by in situ X-ray powder diffraction (XRD) measurements, morphology change is resolved by transmission electron microscopy (TEM), the correlated optical responses are investigated by absorption and photoluminescence spectroscopy. And the rotational isomerism is evidenced by the vibrational properties of the organic BA chain by Raman spectroscopy combined with the Ab initio calculations.Reference:[1] T Yin, B Liu, J Yan, Y Fang, M Chen, WK Chong, S Jiang, J-L Kuo, J Fang, P L, S-H W, K-P Loh, T-C Sum, T J. White, and Z Xiang, J. Am. Chem. Soc. 141, 1235 (2019).[2] Yin T, Yan H, Abdelwahab I, Lekina Y, Lü X, Yang W, Sun H, Leng K, Cai Y, Shen Z, Loh KP, Nat. Commun. 14, 411 (2023).[3] T Yin, Y Fang, WK Chong, KT Ming, S Jiang, X Li, J-L Kuo, J Fang, T-C Sum, T J. White, J Yan, and Z Xiang, Adv. Mater. 30, 1705017 (2018). Figure 1

High Entropy Oxides: Mapping the Landscape from Fundamentals to Future Vistas: Focus Review.

High-entropy materials (HEMs) are typically crystalline, phase-pure and configurationally disordered materials that contain at least five elements evenly blended into a solid-solution framework. The discovery of high-entropy alloys (HEAs) and high-entropy oxides (HEOs) disrupted traditional notions in materials science, providing avenues for the exploration of new materials, property optimization, and the pursuit of advanced applications. While there has been significant research on HEAs, the creative breakthroughs in HEOs are still being revealed. This focus review aims at developing a structured framework for expressing the concept of HEM, with special emphasis on the crystal structure and functional properties of HEOs. Insights into the recent synthetic advances, that foster prospective outcomes and their current applications in electrocatalysis, and battery, are comprehensively discussed. Further, it sheds light on the existing constraints in HEOs, highlights the adoption of theoretical and experimental tools to tackle challenges, while delineates potential directions for exploration in energy application.

(Digital Presentation) Temperature-Induced Conversion of 2D Vanadium-Doped MoSe2 Nanosheets to 1D V2MoO8 Rods: Enhanced Performance in Electrochemical Antibiotic Detection in Biological and Environmental Samples

A new strategies were developed to prepare 1D-V2MoO8 (VMO) rods from 2D V-doped MoSe2 nanosheets (VMoSe2) with good control over morphology and crystallinity by a facile hydrothermal and calcination process. The morphological changes from 2D to 1D rods were controlled by changing the calcination temperature from 300 to 600 °C. The elimination of Se and the incorporation of O into the V-Mo structure were evaluated by TGA, p-XRD, Raman, FE-SEM, EDAX, FE-TEM, and XPS analyses. These results prove that the optimization of the physical parameters leads to changes in the crystal phase and textural properties of the prepared material. The VMoSe2 and its calcined products were investigated as electrochemical sensors for the detection of the antibacterial drug nitrofurantoin (NFT). At a calcination temperature of 500 oC, the modified SPCE proved to be an excellent electrochemical sensor for the detection of NFT in neutral media. Under the optimized conditions, VMO-500 oC/SPCE exhibits low LOD (0.015 µM), wide linear ranges (0.1-31, 47-1802 µM), good sensitivity, and selectivity. The proposed sensor was successfully used for the analysis of NFT in real samples with good recovery results. Moreover, the reduction potential of NFT agreed well with the theoretical analysis using quantum chemical calculations, with the B3LYP with 6-31G(d,p) basis set predicting an E 0 value of -0.45 V. The interaction between the electrode surface and NFT via the LUMO diagram and the electrostatic potential surface is also discussed.

Application of Fe3O4@MoS2 & Co@MoS2 for Electrocatalytic Nitrogen Reduction Reaction Under the Magnetic Field

Ammonia, one of the most essential raw ingredient for fertilizers, pharmaceuticals and neutralization. However, the widespread production of ammonia heavily depends on the Haber-Bosch process, which entails substantial use of fossil fuels due to the demanding reaction conditions involving high pressure and temperature. Consequently, finding a sustainable method for synthesizing ammonia becomes crucial in addressing environmental pollution and mitigating energy crises.In order to improve the efficiency of ammonia production, using materials with high catalytic activity is an important factor. Traditional noble metals are recognized as the best catalytic materials. Nevertheless, the high cost and rarity of noble metals make their development and application has haven limited a lot. In recent years, two-dimensional materials attracted the attention of scientists in the field of catalysis. Among them, Molybdenum disulfide has a unique crystal structure and properties. Therefore, we aim to create a heterostructure by doping Co or incorporating Fe3O4 into MoS2, resulting in a material with either paramagnetic or ferromagnetic properties. We intend to observe the electrochemical performance of these materials under an applied magnetic field to further substantiate the influence of the magnetic field on electrocatalytic performance. Eventually, we successfully improved the performance of Nitrogen Reduction Reaction under the magnetic field. In the test of electrochemical performance at -0.04V (vs. RHE), we successfully increased the Faradaic efficiency of Fe3O4@1T-MoS2 from 32.67 to 37.16. Simultaneously, we elevated the Faradaic efficiency of Co@1T-MoS2 from 22% to 35%. From the result, we further confirmed that with the adding of magnetic field our catalyst can reach a better NRR performance. key word: nitrogen reduction reaction, Fe3O4@1T-MoS2, Cobalt-doped 1T phase molybdenum disulfide, magnetic field

Stability in Photoluminescence and Photovoltaic Properties of Formamidinium Lead Iodide Quantum Dots

Formamidinium lead iodide (FAPI) thin films in the perovskite crystalline phase have piqued interest for single-junction solar cells due to their optimal bandgap, long photocarrier lifetime, and intrinsic structural stability. However, trap states on the surface and within the lattice impede the performance and stability of FAPI bulk crystalline film cells. Strategies such as film crystallization, deposition optimization, precursor engineering, and interface property tailoring aim to overcome these limitations. One approach involves forming FAPI quantum dots (QDs). By reducing the size, we achieve better quality and stable alpha-phase FAPI on a nanometer scale. In this contribution, we report synthesizing of alpha-phase FAPI QDs with a mean size distribution of 20 nm. These QDs exhibit a narrow photoluminescence emission peak at 1.61 eV and higher absolute quantum yields ranging from 70% to 86%. Compared to bulk FAPI with a 1.54 eV gap, a blue shift is observed due to the quantum confinement effect.However, achieving degradation-free perovskite solar cells under prolonged light soaking remains a challenge. Furthermore, we investigate the stability of FAPI bulk and QDS films in a humid chamber and after exposure to AM1.5G light in a humid setting (RH ~ 30%, T ~ 28°C). Our approach allows us to form homogeneously dispersed films of quantum dots with thicknesses of several hundred nanometers. These films are studied for photoluminescence and photovoltaic properties. Prototype solar cells incorporating synthesized FAPI QDs showed a power conversion efficiency of around 8%. These findings indicate considerably more stability in photoluminescence and photovoltaic properties of FAPI QDs for enhanced light-soaking stability compared to bulk FAPI films.

Single Crystal Ruddlesden-Popper and Dion-Jacobson Metal Halide Perovskites for Visible Light Photodetectors: Present Status and Future Perspectives.

2D metal halide perovskites (MHPs), mainly the studied Ruddlesden-Popper (RP) and Dion-Jacobson (DJ) phases, have gained enormous popularity as optoelectronic materials owing to their self-assembled multiple quantum well structures, tunable semiconducting properties, and improved structural stability compared to their bulk 3D counterparts. The performance of polycrystalline thin film devices is limited due to the formation of defects and trap states. However, as studied so far, single crystal-based devices can provide a better platform to improve device performance and investigate their fundamental properties more reliably. This Review provides the first comprehensive report on the emerging field of RP and DJ perovskite single crystals and their use in visible light photodetectors of varied device configurations. This Review structurally summarizes the 2D MHP single crystal growth methods and the parameters that control the crystal growth process. In addition, the characterization techniques used to investigate their crystal properties are discussed. The review further provides detailed insights into the working mechanisms as well as the operational performance of 2D MHP single crystal photodetector devices. In the end, to outline the present status and future directions, this Review provides a forward-looking perspective concerning the technical challenges and bottlenecks associated with the developing field of RP and DJ perovskite single crystals. Therefore, this timely review will provide a detailed overview of the fast-growing field of 2D MHP single crystal-based photodetectors as well as ignite new concepts for a wide range of applications including solar cells, photocatalysts, solar H2 production, neuromorphic bioelectronics, memory devices, etc.

Pressure induced structural and electronic band transition in CsPbBr3

Cesium lead bromide (CsPbBr3) is a prominent halide perovskite with extensive optoelectronic applications. In this study, we report the pressure modulation of CsPbBr3’s crystal structure and electronic properties at room temperature up to 5 GPa. We have observed a crystal structure transition from the orthorhombic Pnma space group to a new monoclinic phase in the space group P21/c at 2.08 GPa. The structure is associated with ~8% of density jump across the transition boundary. DFT calculations have suggested that the structure transition leads to a change in the electronic band structure, and there is an emergent indirect bandgap at the Pnma-P21/c phase transition boundary at 2.08 GPa. Across the transition boundary, the electronic band gap of CsPbBr3 increased from 2.07 eV to 2.38 eV, which explains its pressure-induced color change. Our study demonstrates the importance of using in-situ crystal structure in the electronic band structure calculations in halide perovskites.

Semi‐aromatic poly(m‐xylylene adipamide‐co‐isophthalamide) copolyamides (MXD6/I): Effect of isophthalic acid on the thermal, crystallization, mechanical, and barrier properties

AbstractSemi‐aromatic nylon MXD6 shows superior mechanical strength and gas barrier properties. To improve its toughness and get sight into its excellent properties, a series of poly(m‐xylylene adipamide‐co‐isophthalamide) (MXD6/I) random copolyamides were synthesized using adipic acid, isophthalic acid (IPA) and m‐xylylene diamine as monomers via direct melt polycondensation. The effect of IPA content on the thermal, crystallization, heat resistant, mechanical, and barrier properties of the copolyamides were systematically investigated. The results showed that the increase of IPA content from 0 to 12 mol% resulted in a decrease in the melting point of the copolyamides from 238 to 217°C but the glass transition temperature (Tg) increased from 88 to 105°C. Correspondingly, the Vicat softening temperature decreased from 199.2 to 172.5°C. The crystallization rate of the copolyamides significantly decreased with the increase of the IPA content. The copolyamides had improved elongation and rupture energy and decent oxygen barrier properties with the introduction of IPA. It is expected that this study would guide design of MXD6 macromolecular chain structure to prepare high‐performance MXD6 materials.