High Thermal Stability Research Articles

Accelerating the Development of LLZO in Solid-State Batteries Toward Commercialization: A Comprehensive Review.

Solid-state batteries (SSBs) are under development as high-priority technologies for safe and energy-dense next-generation electrochemical energy storage systems operating over a wide temperature range. Solid-state electrolytes (SSEs) exhibit high thermal stability and, in some cases, the ability to prevent dendrite growth through a physical barrier, and compatibility with the "holy grail" metallic lithium. These unique advantages of SSEs have spurred significant research interests during the last decade. Garnet-type SSEs, that is, Li7La3Zr2O12 (LLZO), are intensively investigated due to their high Li-ion conductivity and exceptional chemical and electrochemical stability against lithium metal anodes. However, poor interfacial contact with cathode materials, undesirable lithium plating along grain boundaries, and moisture-induced chemical degradation greatly hinder the practical implementation of LLZO-based SSEs for SSBs. In this review, the recent advances in synthesis methods, modification strategies, corresponding mechanisms, and applications of garnet-based SSEs in SSBs are critically summarized. Furthermore, a comprehensive evaluation of the challenges and development trends of LLZO-based electrolytes in practical applications is presented to accelerate their development for high-performance SSBs.

Binary Nematic Liquid Crystals Mixture with Enhanced Electro-Optics Properties for Photonic Applications

Purpose: In this work, we mix two simple nematic liquid crystals (NLCs) and investigated the binaryNLCs mixtures of 7CB/PCH5 of different mixing ratios. Methodology: The pure liquid crystals 7CB and PCH5 and binary mixtures of them of high temperature stability were thermally analyzed by differential scanning calorimetry. The mixture 7CB/PCH5:30/70 wt% has the highest thermal stability with a nematic-isotropic (N-I) transition temperature at 50oC. The electrooptic properties of 7CB, PCH5, and the mixture 7CB/PCH5:30/70 wt% at room temperature were also investigated using an amplitude modulated electric signal (1 kHz - 100 Hz) by increasing diving peak voltage from 0 V to 10 V. The threshold volage is relatively reduced for the binary mixture in comparison to that value for PCH5. In comparison to the pure LCs, the mixture 7CB/PCH5:30/70 wt% has the fastest response times of values 2.36 ms total time response, 0.41 ms rise time, and 1.95 ms fall time. It has also the highest contrast ratio. Moreover, it has a maximum measured transmission that is higher than those for PCH5 and 7CB by about 17 % and 8%, respectively, at a field strength of 2V/mm. Findings: The obtained results indicate that the electrooptic properties of PCH5 was improved when mixed with a proper ratio of 7CB, of lower cost, more stablity , and higher potential for photonic applications. Unique Contriburibution to Theory, Practice and Policy: This expermental study shows that simply by mixing two relatively low cost NLCs materials, one of high thermal stability and low electro-optic properties with other one of low thermal stability and better electro-optic properties; this would improve the stability, response, and transmition of the binary mixture. If the a suitable driving method is applied, without doping with other orgnic or inorganic matrial.

Exploring the Potential of Sustainable Biopolymers as a Shield against Electromagnetic Radiations.

The increasing demand for biodegradable and environmentally friendly materials is shifting the focus from traditional polymer composites to biocomposites in various applications, especially in electromagnetic shielding. Effective utilization of biopolymers demands improved properties and can be achieved to a certain extent by functionalization. Biopolymers such as cellulose, polylactic acid, and starch are some of the potential candidates for mitigating electromagnetic pollution in next-generation electronic devices because of their high aspect ratio, flexibility, light weight, high mechanical strength, thermal stability, and tunable microwave absorption to the electromagnetic interference (EMI) shielding composites. This Review provides an overview of the current advancements in EMI shielding materials and outlines recent research on EMI shielding composites that utilize various biodegradable polymer structures.

N-Guanylurea dinitramide: Optimal synthesis process, basic properties and spectroscopic data

N-Guanylurea dinitramide (GUDN), also known as FOX-12, is indeed a fascinating organic dinitramide salt with high insensitivity and good thermal stability. It shows great promise for use in next-generation insensitive munitions. In this study, GUDN was synthesized through the nitration reaction of ammonium sulfamate salt with an acid mixture (HNO3/H2SO4) and guanylurea salts in water. The optimal conditions for this synthesis have been determined, including reaction temperature at -40 oC, the nitration reaction time of 45 minutes, and specific molar ratios of the components, which include guanylurea sulfate, ammonium sulfamate, and the mixture of sulfuric and nitric acid. Additionally, various properties and spectral data of GUDN, such as FTIR, 1H-NMR, 13C-NMR, DSC-TG, XRD, and UV-Vis, have been thoroughly studied in the referenced article.

Giant Spin-Orbit Torque in Antiferromagnetic-Coupled Pt/[Co/Gd]N Multilayers with Suppressed Spin Dephasing and Robust Thermal Stability.

Manipulating magnetization via power-efficient spin-orbit torque (SOT) has garnered significant attention in the field of spin-based memory and logic devices. However, the damping-like SOT efficiency (ξDL) in heavy metal (HM)/ferromagnetic metal (FM) bilayers is relatively small due to the strong spin dephasing accompanied by additional spin polarization decay. Furthermore, the perpendicular magnetic anisotropy (PMA) originating from the HM/FM interface is constrained by the thickness of FM, which is unfavorable for thermal stability in practical applications. Consequently, it is valuable to develop systems that not only exhibit large ξDL but also balance thermal stability. In this work, we designed antiferromagnetic-coupled [Co/Gd]N multilayers, where staggered Co and Gd magnetic moments effectively suppress the spin dephasing and additional spin polarization decay. The ordered Co-Gd arrangements along the out-of-plane direction provide bulk PMA, endowing Pt/[Co/Gd]N high thermal stability. The SOT of Pt/[Co/Gd]N was systematically studied with N, demonstrating a significantly large ξDL of up to 0.66. The ξDL of Pt/[Co/Gd]N is greater than those of Pt/Co and Pt/ferrimagnetic alloys. This significant enhancement relies on the effective suppression of spin dephasing in [Co/Gd]N. Our work highlights that the antiferromagnetic-coupled [Co/Gd]N multilayer is a promising candidate for low-consumption and high-density spintronic devices.

Alkaliphilic and thermostable lipase production by leaf litter fungus Leptosphaerulina trifolii A SMR-2011.

Fungi that inhabit fire-prone forests have to be adapted to harsh conditions and fungi affiliated to Ascomycota recovered from foliar litter samples were used for bioprospecting of molecules such as enzymes. Agni's fungi isolated from leaf litter, whose spores are capable of tolerating 110 oC were screened for thermostable lipases. One of the isolates, Leptosphaerulina trifolii A SMR-2011exhibited high positive lipase activity than other isolates while screening through agar plate assay using Tween 20 in the medium. Maximum lipase activity (173.2 U/mg) of L. trifolii was observed at six days of inoculation and decreased thereafter. Among different oils used, the maximum lipase activity was attained by soybean oil (940.1 U/mg) followed by sunflower oil (917.1 U/mg), and then by mustard oil (884.8 U/mg), showing its specificity towards unsaturated fatty acids. Among the various organic nitrogen sources tested, soybean meal showed maximum lipase activity (985.4 U/mg). The partially purified enzyme was active over a wide range of pH from 8 to 12 with a pH optimum of 11.0 (728.1 U/mg) and a temperature range of 60-80 oC with an optimal temperature of 70 oC (779.1 U/mg). The results showed that lipase produced by L. trifolii is alkali stable and retained 85% of its activity at pH 11.0. This enzyme also showed high thermal stability retaining more than 50% of activity when incubated at 60 oC to 90°C for 2h. The ions Ca2+ and Mn2+ induced the lipase activity, while Cu2+ and Zn2+ ions lowered the activity compared to control. These results suggests that the leaf litter fungus L. trifolii serves as a potential source for the production of alkali-tolerant and thermostable lipase.

A sustainable green-approach for biofabrication of chitosan nanoparticles, optimization, characterization, its antifungal activity against phytopathogenic Fusarium culmorum and antitumor activity.

Chitosan is a natural non-toxic, biocompatible, biodegradable, and mucoadhesive polymer. It also has a broad spectrum of applications such as agriculture, medical fields, cosmetics and food industries. In this investigation, chitosan nanoparticles were produced by an aqueous extract of Cympopogon citratus leaves as a reducing agent. According to the SEM and TEM micrographs, CNPs had a spherical shape, and size ranging from 8.08 to 12.01 nm. CNPs have a positively charged surface with a Zeta potential of + 26mV. The crystalline feature of CNPs is determined by X-ray diffraction. There are many functional groups, including C꞊C, CH2-OH, C-O, C-S, N-H, CN, CH and OH were detected by FTIR analysis. As shown by the thermogravimetric study, CNPs have a high thermal stability. For the optimization of the green synthesis of CNPs, a Face centered central composite design (FCCCD) with 30 trials was used. The maximum yield of CNPs (13.99 mg CNPs/mL) was produced with chitosan concentration 1.5%, pH 4.5 at 40°C, and incubation period of 30 min. The antifungal activity of CNPs was evaluated against phytopathogenic fungus; Fusarium culmorum. A 100% rate of mycelial growth inhibition was gained by the application of 20mg CNPs/mL. The antitumor activity of the green synthesized CNPs was examined using 6 different cell lines, the viability of the cells reduced when the concentration of green synthesized CNPs increased, the IC50 dose of the green synthesized CNPs on the examined cell lines HePG-2, MCF-7, HCT-116, PC-3, Hela and WI-38 was 36.25 ± 2.3, 31.21 ± 2.2, 67.45 ± 3.5, 56.30 ± 3.3, 44.62 ± 2.6 and 74.90 ± 3.8; respectively.

Influence of pH on Room-Temperature Synthesis of Zinc Oxide Nanoparticles for Flexible Gas Sensor Applications

This research contributes to work on synthesizing zinc oxide nanoparticles (ZnO NPs) at room temperature (RT) and their utilization in flexible gas sensors. RT ZnO NP synthesis with a basicity solution (pH ≈ 13) demonstrates an efficient method for synthesizing well-crystalline ZnO NPs (RT.pH13) comparable to those synthesized by the hydrothermal method (hyd.C). The RT.pH13 achieved a high thermal stability with minimal organic reside impurities (~4.2 wt%), 30–80 nm particle size distribution, and a specific surface area (14 m2 g−1). The synthesized pre- and post-calcinated RT.pH13 NPs were then incorporated into flexible sensors for gas sensing applications at ambient conditions (RT and relative humidity of 30–50%). The pre-calcinated ZnO-based sensor (RT.pH13) demonstrated superior sensitivity to styrene and acetic acid and lower sensitivity to dimethyl-6-octenal. The calcinated ZnO-based sensor (RT.pH13.C) exhibited lower sensitivity to styrene and acetic acid, but heightened sensitivity to benzene, acetone, and ethanol. This suggests a correlation between sensitivity and structural transformations following calcination. The investigation of the sensing mechanisms highlighted the role of surface properties in the sensors’ affinity for specific gas molecules and temperature and humidity variations. The study further explored the sensors’ mechanical flexibility, which is crucial for flexible Internet of Things (IoT) applications.

Toward New Horizons in Verdazyl-Nitroxide High-Spin Systems: Thermally Robust Tetraradical with Quintet Ground State.

High-spin organic tetraradicals with significant intramolecular exchange interactions have high potential for advanced technological applications and fundamental research, but examples reported to date exhibit limited stability and processability. In this work, we designed the first tetraradical based on an oxoverdazyl core and nitronyl nitroxide radicals and successfully synthesized it using a palladium-catalyzed cross-coupling reaction of an oxoverdazyl radical bearing three iodo-phenylene moieties with a gold(I) nitronyl nitroxide-2-ide complex in the presence of a recently developed efficient catalytic system. The molecular and crystal structures of the tetraradical were confirmed by single crystal X-ray diffraction analysis. The tetraradical possesses good thermal stability with decomposition onset at ∼125 °C in an inert atmosphere; in a toluene solution upon prolonged heating at 90 °C in air, no decomposition was observed. The resulting unique verdazyl-nitroxide conjugate was thoroughly studied using a range of experimental and theoretical techniques, such as SQUID magnetometry of polycrystalline powders, EPR spectroscopy in various matrices, cyclic voltammetry, and high-level quantum chemical calculations. All collected data confirm the high thermal stability of the resulting tetraradical and quintet multiplicity of its ground state, which makes the synthesis of this important paramagnet a new milestone in the field of creating high-spin systems.

Tailoring Emission Color Shifts in Mechanofluorochromic-Active AIE Systems of Carbazole-Based D-π-A Conjugates: Impact of π Spacer Unit Variants.

The expanding field of organic electronics has led to the emergence of donor-π-acceptor (D-π-A) systems as promising candidates for various optoelectronic applications. Recent advancements in the design of organic fluorophores allow precise modulation of their optical properties in the solution and solid states, broadening their utility. Here, we synthesize and characterize two series of D-π-A systems based on carbazole-cyanostilbene compounds (3a-c and 4a-c), which feature differences in π-spacer groups and substitution on the acceptor cyanostilbene units. These compounds exhibit intramolecular charge transfer (ICT) characteristics, with 3c possessing a phenyl spacer and -CF3 substitution displaying notable solvatochromism and polarity-enhanced emission (PEE). Additionally, both series show aggregation-induced emission (AIE), with emission color shifts controlled by spacer groups. These compounds demonstrate diverse emissive behaviors, including locally excited (LE), twisted intramolecular charge transfer (TICT), and π-π stacked aggregated states, contributing to the AIE phenomenon. Compounds with phenyl spacers (3a-c) exhibit higher solid-state quantum yields than those of thiophene (4a-c). Furthermore, the impact of spacer groups and acceptor substitutions on the solid-state emissive properties and mechanofluorochromism (MFC) are highlighted. Compounds with phenyl spacers and substitution (3a, 3c) show a blue-shifted MFC, while those with thiophene (4a, 4c) display a red-shifted MFC. These findings offer insights into the development of advanced materials with tunable emission properties and high thermal stability for optoelectronic applications.

Improved broadband luminescence in Gd2GaSb1-xTaxO7:Cr3+,Yb3+ pyrochlore phosphors: Near-infrared spectroscopic applications and dual-mode optical thermometry

The growing demand for spectroscopic applications in the fields of night vision monitoring, non-destructive analysis and bioimaging has led to extensive research into near infrared (NIR) light sources. Thus, the design of high-performance broadband Cr3+-doped NIR phosphors is of urgent and critical importance. Herein, novel Gd2GaSb1-xTaxO7:Cr3+,Yb3+ NIR-emitting pyrochlore phosphors were successfully explored. Via partly substituting Sb5+ by Ta5+ and tuning Cr3+ amount, a significant enhancement, broadening and redshift of Cr3+ NIR luminescence are exhibited under the radiation of 460 nm light. Moreover, higher thermal stability and wider NIR luminescence are realized by the proper introduction of Yb3+. A satisfactory NIR output power of 46.51 mW @ 300 mA and photoelectric efficiency of 10.82 % @ 10 mA of the fabricated NIR phosphor-converted light-emitting diodes (NIR pc-LEDs) based on Gd1.96Ga0.97Sb0.9Ta0.1O7:3%Cr3+,4%Yb3+ phosphor enable the demonstration in night vision and bioimaging applications. Besides, superior dual-mode optical thermometry was successfully constructed on fluorescence intensity ratio (Cr3+/Yb3+) and fluorescence lifetime (4T2) of Cr3+ in Gd2GaSb1-xTaxO7:Cr3+,Yb3+. These results confirm that Gd2GaSb1-xTaxO7:Cr3+,Yb3+ can serve as inspiring luminescent converters employed in NIR pc-LEDs and non-contact temperature sensing.

Understanding the microstructure evolution of carbon-doped Sb2Te3 phase change material for high thermal stability memory application

The Sb2Te3 phase change material shows a growth-dominated crystallization mechanism with fast phase transition but poor thermal stability of the amorphous state. This work investigated the effects of carbon doping on the thermal stability, microstructure, and electrical properties of the Sb2Te3 material. The 10-year data retention temperature of the material increased to ∼147.3 °C and the size of the grains was limited to ∼10 nm by carbon doping. The formation of the C cluster upon crystallization was found at the grain boundaries, which was accelerated as the temperature increased due to the break of the Sb–C bonds. The memory device based on the carbon-doped Sb2Te3 material exhibited a switching speed of 15 ns and an endurance of ∼105 cycles with a resistance ratio of more than two orders of magnitude. This work suggests that the carbon-doped Sb2Te3 material is a promising candidate for memory applications that require high thermal stability, fast speed, and high endurance.

Catalysts with Trimetallic Sites on Graphene-like C2N for Electrocatalytic Nitrogen Reduction Reaction: A Theoretical Investigation.

Electrocatalytic nitrogen reduction reaction (NRR) is a green and highly efficient way to replace the industrial Haber-Bosch process. Herein, clusters consisting of three transition metal atoms loaded on C2N as NRR electrocatalysts are investigated using density functional theory (DFT). Meanwhile, Ca was introduced as a promoter and the role of Ca in NRR was investigated. It was found that Ca anchored to the catalyst can act as an electron donor and effectively promote the activation of N2 on M3. In both M3@C2N and M3Ca@C2N (M = Fe, Co, Ni), the limiting potential (UL) is less negative than that of the Ru(0001) surface and has the ability to suppress the competitive hydrogen evolution reaction (HER). Among them, Fe3@C2N is suggested to be the most promising candidate for NRR with high thermal stability, strong N2 adsorption ability, low limiting potential, and good NRR selectivity. The concepts of trimetallic sites and alkaline earth metal promoters in this work provide theoretical guidance for the rational design of atomically active sites in electrocatalytic NRR.

Graphene/Polyimide Composite Aerogels for Superior Electromagnetic-Wave-Absorbing Materials with High Thermal Stability and Absorption Effectiveness

Graphene/Polyimide Composite Aerogels for Superior Electromagnetic-Wave-Absorbing Materials with High Thermal Stability and Absorption Effectiveness

Effect of polymer concentration and cross-linking density on the microstructure and properties of polyimide aerogels

AbstractPolyimide aerogels display excellent mechanical strength, high thermal stability, low thermal conductivity, and outstanding dielectric properties. Typically, the synthesis of polyimide aerogels involves the polycondensation of dianhydride and diamine into poly(amic acid) (PAA) oligomers, which are then cross-linked and chemically imidized into polyimide. The stoichiometry of dianhydride and diamine determines the number of repeat units and length of the PAA oligomers, which in turn determines the cross-linking density. Despite the critical role of polymer concentration and number of repeating units in determining the microstructure and properties of polyimide aerogels, few detailed studies exist on these two parameters. Here, we synthesized and characterized 16 polyimide aerogel formulations from the common monomers biphenyl-3,3′,4,4′-tetracarboxylic dianhydride (BPDA) and 4,4′-oxydianiline (ODA), with different repeat units (n = 5, 15, 30, 45) and total polymer concentrations (4, 7, 10, 13 wt%). An increased polymer concentration accelerated gelation and enhanced the mechanical performance of aerogels, but surprisingly, it also led to higher volumetric shrinkage during aging, solvent exchange, and supercritical drying (SCD). Specific surface areas (SSAs) reached a maximum at intermediate polymer concentrations. A shorter oligomer chain length, i.e., a higher cross-linking density, led to moderately higher SSAs (between 320 and 400 m2/g) and reduced shrinkage, resulting in lower densities for a given polymer concentration. The density dependence of the thermal conductivity exhibits a pronounced U-shaped curve with a minimum in thermal conductivity of 21–23 mW/(m·K) between 0.080 and 0.120 g/cm3, with somewhat lower values for more highly cross-linked aerogels. This systematic study of polyimide aerogels forms the basis for designing polyimide aerogels with tailored properties for targeted applications. Graphical Abstract

Synergistic Effect of PBz/Epoxy/PCLA Composite Films with Improved Thermal Properties

Polybenzoxazines (PBzs) are advanced forms of phenolic resins that possess many attractive properties, including thermally induced self-curing polymerization, which produces void-free polymer products without any by-product formation. They also possess a high Tg (glass transition temperature) and thermal stability, but the produced materials are brittle in nature, due to which the final form of their application is very difficult. Hence, in this paper, an attempt has been made to overcome the brittleness of PBz by blending it with epoxy and ε-caprolactam (CPLA) to produce free-standing PBz/Epoxy/PCLA (polycaprolactam) films. The curing process between the three components (i.e., Bzo, epoxy, and caprolactam) was monitored using differential scanning calorimetric (DSC) analysis. The results show that there is no appreciable shift in curing the exotherm observed, except a slight shift in the curing process. However, the heat liberated during the exotherm (ΔH) decreases drastically from 121 to 84 J/g, indicating that the content of benzoxazine is very important as it is involved in the polymerization process through oxazine ring-opening. The morphological studies analyzed using SEM and AFM analyses indicate that there was no observable phase separation up to 30 wt.% of CPLA loading, whereas a higher CPLA content of 50 wt.% causes agglomeration and leads to distinctive phase separation. Moreover, the thermal stability of the composite film, PBz/Epoxy/PCLA30, is also increased with a 10% degradation temperature, T10, of 438 °C, when compared with an PBz/Epoxy film. From the obtained results, it is evident that the formation of a composite film through the melt blending process could produce a tough and thermally stable film without sacrificing individual properties.

Halloysite nanotubes immobilized by copper itaconic acid complexes as smoke suppressant for soft polyvinyl chloride

AbstractCurrently, there are few reports of core–shell‐structured smoke suppressants that can provide a growth substrate and stabilize the char layer. In response to this problem, core–shell nanoparticles of halloysite nanotubes (HNTs) coated with copper itaconate complex were prepared by layer‐by‐layer assembly method. The electrostatic forces between HNTs and copper ions and the coordination between the itaconic acid and copper ions contributed this synthesis. The micromorphology, chemical composition, and structure of HNT@CuC5H4O4 were characterized, and its effects on the flame‐retardant and smoke‐inhibition properties, mechanical properties, and thermal stability of the soft polyvinyl chloride (PVC) were investigated. The results showed that the core–shell structure of HNT@CuC5H4O4 contributed to its homogeneous dispersion in PVC and the formation of interlocking mesh structure. Thus, the incorporation of HNT@CuC5H4O4 enhanced the strength and stiffness of soft PVC without sacrificing its ductility. Besides, copper ions on HNT@CuC5H4O4 could promote the cross‐linking carbonization of the PVC at high temperature. The formed char layer catalyzed by CuC5H4O4, together with its attached three‐dimensional network structure of HNT constituted a compact and continuous char layer with high thermal stability, which effectively prevented the release of combustible volatiles and toxic gases as well as heat transfer.

Synthesis and thermal properties of novel silicone resins containing phthalonitrile groups

Silicone resins are widely used in various fields because of their excellent high thermal stability. To improve their comprehensive performances, many organic resins have been used for modification of silicone resins. In this article, silicone resins containing phthalonitrile groups were synthesized by the reaction of the silicone resin containing amino groups and 4-(2-oxiranylmethoxy)-1,2-benzenedicarbonitrile. The structures of phthalonitrile-modified silicone resins were characterized by Fourier transform infrared spectroscopy (FT-IR) and nuclear magnetic resonance (1H-NMR). The curing process was characterized by differential scanning calorimetry and FT-IR. Thermogravimetric analysis results showed that the cured modified silicone resins had good thermal stabilities. Dynamic mechanical analysis indicated that they owned high glass transition temperature, suggesting that silicone resins containing phthalonitrile groups have high-temperature resistance.

Nonflammable Solid‐State Polymer Electrolyte for High‐Safety and Ultra‐Stable Lithium‐Ion Batteries

AbstractHigh safety and stability in batteries are crucial factors for the large‐scale application of lithium‐ion technology. In this work, flame‐retardant aluminum diethylphosphonite (ADP) is coated by urea‐formaldehyde (UF) shell to conquer the side reactions caused by ADP during cycling process. And then the core@shell structured ADP@UF is combined with poly(ethylene oxide) (PEO), high thermal stability can be realized. When exposed to high temperatures, ADP@UF generates N⋅ and P⋅ radicals to eliminate the combustion the H⋅ and OH⋅ radical, to inhibit fire. By controlling the percentage of flame retardant added, PEO‐ADP@UF has totally achieved the effect of inflaming retarding, realizing stable electrochemical properties at the same time. The −NH2 in UF forms hydrogen bonds with PEO, and acts as a Lewis base to promote the dissociation of lithium salts to increase the lithium‐ion mobility number. Compared to PEO, battery with PEO‐ADP@UF has outstanding cycling performance (103 mAh g−1 at 1 C, 2.5–4.2 V) and long service life (800 cycles).

Biphenyls embedded Schiff base-bis esters: self-assembling behaviour, impact of additional aromatic ring and ester linkage and their DFT investigations

ABSTRACT In the present investigation, two series of biphenyl embedded Schiff base-bis esters alkyl-(E)-4-(((4’-(decyloxy)-[1,1’-biphenyl]-4-yl)methylene)amino)-benzoate, BPK-(2–18) and alkyl-(E)-4-(((4’-((4-(decyloxy)benzoyl)oxy)-[1,1’-biphenyl]-4-yl)-methylene)amino)benzoate, BPEK-(8–18) containing either terminal alkoxy biphenyl core or central biphenyl core have been synthesised and studied for their self-assembling behaviour. The compounds of both series demonstrated enantiotropic liquid crystal properties, displaying typical calamitic mesophases (Smectic A (SmA), Smectic C (SmC)) across a broad temperature range and with high thermal stability. The bimorphic behaviour of new molecules has been investigated by VT-XRD analysis. The density function theory has been done to illustrate the experimental results of the mesomorphic properties of the studied compounds. Several parameters have been calculated such as molecular geometry, dipole moment, polarisability, aspect ratio, etc. The results showed that more planar compounds will attain more packed structures leading to the formation of more ordered smectic phases.