Structural Versatility Research Articles

Amine-Based Solvents and Additives to Improve the CO2 Capture Processes: A Review

The use of amine-based solvents for carbon dioxide (CO2) capture has shown significant promise; however, operational challenges such as high energy requirements, solvent degradation, and equipment corrosion highlight the need for enhanced solutions. This review focuses on identifying amine-based solvents and additives that can improve CO2 capture efficiency while minimizing costs and avoiding substantial modifications to existing industrial facilities. Specifically, the study emphasizes the development of a comprehensive database of additives to optimize CO2 capture processes. A detailed analysis of recent advancements in amine-based solvents was conducted, with a focus on (i) process optimization strategies, (ii) sector-specific CO2 emission profiles, and (iii) equipment issues associated with conventional chemical solvents. The study evaluates these solvents’ kinetic and thermodynamic properties and their potential to address critical operational challenges, including reducing corrosion, solvent viscosity, and evaporation rates. The findings highlight the pivotal role of amino group-containing compounds, particularly alkanolamines, in enhancing CO2 capture performance. The structural versatility of these compounds, characterized by the presence of hydroxyl groups, facilitates aqueous dissolution while offering kinetic and thermodynamic benefits. This review underscores the importance of continued innovation in solvent chemistry and the integration of amine-based solvents with emerging technologies to overcome current limitations and advance the implementation of efficient and sustainable CO2 capture technologies.

A fluorescent probe based on scopoletin-3-carboxylic acid: pH and micellization evaluation

Coumarins are a class of compounds known for their synthetic and structural versatility, as well as their properties of great interest, such as biological and photophysical activities, and their application in the analysis of molecular microenvironments and their characteristics, such as pH. In this work, the synthesis of 7-hydroxy-6-methoxy-2-oxo-2H-chromene-3-carboxylic acid (3-SCA) was reported, and its absorption, emission, and excitation spectral properties, along with photophysical properties such as molar absorption coefficient, lifetime, and Stokes Shift (Δν) in different solvents and pHs, were evaluated for the first time. High values of fluorescence quantum yield were observed for 3-SCA in solvents of different polarities, with a lifetime of approximately 5 ns. The Stokes shift values for 3-SCA were high, with these values being greater in aqueous medium. Additionally, the acid equilibrium constant values of 3-SCA were evaluated through absorption, emission, and excitation measurements, resulting in two pKa values of 3.7 for the carboxylic acid group at C-3 and 6.6 for the hydroxyl group at C-7. 3-SCA was successfully applied in determining the critical micellar concentration of the surfactants: anionic (SDS), zwitterionic (SB3-14), neutral (F-127), and cationic (CTAB). The high sensitivity of the spectral properties of 3-SCA as a function of pH, combined with the high Stokes shift values in different media, indicates that 3-SCA is an interesting probe with applications in the evaluation of local pH and micelle formation.

In-silico based Designing of benzo[d]thiazol-2-amine Derivatives as Analgesic and Anti-inflammatory Agents.

Benzo[d]thiazoles represent a significant class of heterocyclic compounds renowned for their diverse pharmacological activities, including analgesic and antiinflammatory properties. This molecular scaffold holds substantial interest among medicinal chemists owing to its structural versatility and therapeutic potential. Incorporating the benzo[d]thiazole moiety into drug molecules has been extensively investigated as a strategy to craft novel therapeutics with heightened efficacy and minimized adverse effects. The aim of the present research work was to design, synthesize and characterize the new benzo[d]thiazol-2-amine derivatives as potent analgesic and anti-inflammatory agents. The synthesis of the presented benzo[d]thiazol-2-amine derivatives was performed by condensing-(4-chlorobenzylidene) benzo[d]thiazol-2-amine with a number of substituted phenols in the presence of potassium iodide and anhydrous potassium carbonate in dry acetone. IR spectroscopy, 1HNMR spectroscopy, 13CNMR spectroscopy and Mass spectroscopy methods were used to characterize the structural properties of all 13 newly synthesized derivatives. The molecular properties of these newly synthesized derivatives were estimated to study the attributes of drug-like candidates. Benzo[d]thiazol-2-amine derivatives were molecularly docked with selective enzymes COX-1 and COX-2. Analgesic and anti-inflammatory activities of synthesized compounds were evaluated by using albino rats. Findings of the research suggested that compounds G3, G4, G6, G8 and G11 possess higher binding affinity than diclofenac sodium, when docking was performed with enzyme COX-1. Compounds G1, G3, G6, G8 and G10 showed lower binding affinity than Indomethacin when docking was performed with enzyme COX-2. In vitro evaluation of the COX-1 and COX-2 enzyme inhibitory activities was performed for synthesized compounds. Compounds G10 and G11 exhibited significant COX-1 and COX-2 enzyme inhibitory action with an IC50 value of 5.0 and 10 μM, respectively. Using the hot plate method and the carrageenan-induced rat paw edema model, the synthesized compounds were screened for their biological activities, including analgesic and anti-inflammatory activities. Highest analgesic action was exhibited by derivative G11 and the compound G10 showed the highest anti-inflammatory response. Inhibition of COX may be considered as a mechanism of action of these compounds. It was concluded that synthesized derivatives G10 and G11 exhibited significant analgesic and anti-inflammatory effect; therefore, the said compounds may be subjected to further clinical investigation for establishing these as future compounds for the treatment of pain and inflammation.

Phenoxy-1,2-dioxetane-based activatable chemiluminescent probes: tuning of photophysical properties for tracing enzymatic activities in living cells.

The use of chemiluminophores for tracing enzymatic activities in live-cell imaging has gained significant attention, making them valuable tools for diagnostic applications. Among various chemiluminophores, the phenoxy-1,2-dioxetane scaffold exhibits significant structural versatility and its activation is governed by the chemically initiated electron exchange luminescence (CIEEL) mechanism. This mechanism can be initiated by enzymatic activity, changes in pH, or other chemical stimuli. The photophysical properties of phenoxy-1,2-dioxetanes can be fine-tuned through the incorporation of different substituents on the phenolic ring and by anchoring them with specific triggers. This review discusses the variations in physicochemical properties, including emission maxima, quantum yield, aqueous solubility, and pKa, as influenced by structural modifications, thereby establishing a comprehensive structure-activity relationship. Furthermore, it categorises the probes based on different enzyme classes, such as hydrolase-sensitive probes, oxidoreductase-responsive probes, and transferase-activatable phenoxy-1,2-dioxetanes, offering a promising platform technology for the early diagnosis of diseases and disorders. The summary section highlights key opportunities and limitations associated with applying phenoxy-1,2-dioxetanes in achieving precise and effective enzyme assays.

High‐Potential and Stable Organic Cathode for Rechargeable Batteries with Fast‐Charging and Wide‐Temperature Adaptability

AbstractOrganic carbonyl compounds have been recognized as promising electrodes due to multiple active sites, abundant element resources and flexible structural designability, while their practical applications are still hindered by the easy solubility and low discharge potential. Herein, a novel bipolar polymer composite (TAC) was well‐designed by grafting p‐type triphenylamine units onto n‐type anthraquinone to form an extended π‐conjugated structure and in situ growing on carbon nanotubes, which was proved not only with higher discharge potential but also effectively suppress the dissolution issues. Moreover, TAC combined the advantages of different active sites and behaved a dual‐ion storage mechanism. Benefitting from the in situ polymerization process, TAC with tube‐type core–shell structure exhibited enhanced electron transport and improved utilization of active sites, resulting in high capacity (193 mAh g−1), outstanding rate performance (fast charging within 17 s), long‐term stability (a high capacity retention of 87 % after 1000 cycles) and high mass loading (10 mg cm−2). Additionally, TAC can well adapt to the temperature change, outputting a capacity of 72 mAh g−1 at −60 °C and 165 mAh g−1 at 80 °C. Such versatile polymer structure inspires the design of high performance organic materials for rechargeable batteries to satisfy high stability and wide temperature operations.

Promoting Piezoelectricity in Amino Acids by Fluorination

AbstractBioinspired piezoelectric amino acids and peptides are attracting attention due to their designable sequences, versatile structures, low cost, and biodegradability. However, it remains a challenge to design amino acids and peptides with high piezoelectricity. Herein, a high piezoelectric amino acid by simple fluorination in its side chain is presented. The three phenylalanine derivatives are designed: Cbz‐Phe, Cbz‐Phe(4F), and Cbz‐pentafluoro‐Phe. The effect of fluorination on self‐assembly and piezoelectricity is investigated. Cbz‐Phe(4F) can self‐assemble into crystals with a C2 space group, while Cbz‐Phe and Cbz‐pentafluoro‐Phe form aggregated self‐assemblies. Moreover, Cbz‐Phe(4F) crystals exhibit a remarkably higher piezoelectric coefficient () of ≈17.9 pm V−1 than Cbz‐Phe and Cbz‐pentafluoro‐Phe. When fabricated as a piezoelectric nanogenerator, it generates an open‐circuit voltage of ≈2.4 V. Importantly, Cbz‐Phe(4F) crystals as a flexible piezoelectric sensor for the classification of various nuts and their quality sorting, which includes those as small as individual pumpkin seeds with high sensitivity and accuracy of sorting and quality checks. When mounted onto soft grippers, the sensor performs the tactile self‐sensing functions. This work provides a promising approach to designing high piezoelectric amino acids by simple fluorination, offering exciting prospects for advancements in bioinspired piezoelectric materials in the application of smart agriculture and soft robotics.

Shell-Isolated Nanoparticle-Enhanced Raman Spectroscopy: Toward High Sensitivity and Broad Applicability.

As a nondestructive and ultrasensitive technique, surface-enhanced Raman spectroscopy (SERS) has captivated the attention of the global scientific community for over 50 years. Among the various spectroscopic techniques derived from SERS, shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS) stands as a cutting-edge advancement. The innovative and versatile core-shell nanoparticle structures used in SHINERS have emerged as an ideal platform for interfacial research, offering high sensitivity and broad applicability across diverse materials and single-crystal surfaces. Consequently, SHINERS has seen widespread adoption in pivotal fields, such as interface chemistry, electrocatalysis, biomedicine, materials, and food safety. In this Perspective, we outline the evolutionary journey of SHINERS, delve deep into its applications in fundamental research for interface characterization and catalysis, and explore its practical utility in critical areas of food safety and biomedicine analysis. Additionally, we map out the prospective trajectory and future milestones that await SHINERS as it continues to revolutionize the landscape of scientific exploration.

Fabrication, characterization, and 3D printing of high-internal phase Pickering emulsion stabilized by heat-treated copra protein and calcium composite

HCP-Ca nanoparticles were prepared by incorporating varying concentrations of CaCl2 into heated copra protein (HCP). The results showed a positive correlation between Ca2+ concentration and turbidity, indicating greater HCP aggregation with increasing Ca2+ levels. Microscopy analysis revealed that HCP-Ca nanoparticles had a rough surface morphology. Intermolecular forces such as disulfide bonds, hydrophobic interactions, and hydrogen bonds were key in the conformation of HCP aggregates, with calcium ions enhancing stability by forming salt bridges. HCP-Ca nanoparticle-based high internal phase Pickering emulsions (HIPPEs) were also fabricated using homogenization-centrifugation treatment. The nanoparticles showed contact angles of 87.8° to 98.3°, particle sizes between 80.42 and 80.95 nm, and the HIPPEs had zeta potentials ranging from −23 to −39 mV. The addition of Ca2+ enhanced stability by forming salt bridges, reducing particle size, and altering size distributions. Rheological and texture analysis showed that Ca2+ addition significantly improved the viscoelasticity of HCP-Ca nanoparticle-based HIPPEs, as well as increasing hardness and adhesiveness. Optical microscopy and magnetic imaging techniques revealed details about emulsion formation and oil-water distribution in HCP-Ca nanoparticle-based HIPPEs. The excellent printing stability and structural versatility of HCP-Ca nanoparticle-based HIPPEs allowed the formation of complex 3D structures, offering a valuable approach for fabricating processable and editable HIPPEs from waste materials. This paper aims to develop a food-grade copra protein-based Pickering HIPPE and explore differences in fabrication methods, providing new insights into the design of innovative Pickering stabilizers.

Regulation of Glass Transition Temperature in Thermo‐Responsive Epoxy Shape Memory Polymers: The Roles of Chemical Crosslinking Density and Chain Flexibility

ABSTRACTShape memory polymers (SMPs) are novel kinds of smart materials whose shape can be changed in external conditions such as heat stimulus. Due to their excellent structural versatility and high elastic strain, they have important applications in the field of biomaterials. Here, a series of amorphous shape memory polymer materials are prepared and their shape memory properties and glass transition temperature (Tg) are also investigated. A special kind of epoxy polymer, whose shape can be changed at around physiological temperature, is synthesized by regulating the crosslinking density and introducing flexible aliphatic epoxy chains. The shape memory function of this epoxy polymer is studied by deformation test. In addition, to explore their application in the field of biomedical materials, the biocompatibility of the materials are evaluated, including the effects on the erythrocyte hemolysis rate and cell activity. The experimental results show that this kind of epoxy polymer has good shape memory function and biocompatibility.

Programmable Intelligent DNA Nanoreactors (iDNRs) for in vivo Tumor Diagnosis and Therapy.

With the rapid advancement of DNA technology, intelligent DNA nanoreactors (iDNRs) have emerged as sophisticated tools that harness the structural versatility and programmability of DNA. Due to their structural and functional programmability, iDNRs play an important and unique role in in vivo tumor diagnosis and therapy. This review provides an overview of the structural design methods for iDNRs based on advanced DNA technology, including enzymatic reaction-mediated and enzyme-free strategies. This review also focuses on how iDNRs achieve intelligence through functional design, as well as the applications of iDNRs for in vivo tumor diagnosis and therapy. In summary, this review summarizes current advances in iDNRs technology, discusses existing challenges, and proposes future directions for expanding their applications, which are expected to provide insights into the development of the field of in vivo tumor diagnostics and targeted therapies.

Exploring the thermoelectric performance of NiFeMnAl and ZnFeVAl as novel quaternary Heusler compounds

Quaternary Heusler (QH) compounds, characterized by the chemical formula XX’YZ, are highly regarded in the energy materials sector due to their versatile electronic structures. The current study focuses on synthesizing novel QH compounds, NiFeMnAl and ZnFeVAl, through arc-melting followed by hot-pressing at 1073 K. Maximum Seebeck coefficients were exhibited ∼ −20.48 μV/K and ∼ −17.25 μV/K at 773 K for ZnFeVAl and NiFeMnAl, respectively. The evaluated power factor was ∼ 0.058 mWm−1K−2 for NiFeMnAl and ∼ 0.020 mWm−1K−2 for ZnFeVAl at 773 K. Furthermore, the lattice thermal conductivity (κl) was exhibited ∼ 8.73 Wm−1K−1 for NiFeMnAl and ∼ 6.92 Wm−1K−1 for ZnFeVAl at 773 K, with ZnFeVAl exhibiting a ∼ 20.73 % lower κl attributed to chemical bonding distortion arising from differences in constituent element electronegativity. Hence, these novel compounds offer a promising avenue for further research in TE materials, aiming to realize higher-performance materials for practical TE device applications.

Microwave aided synthesis of samarium hafnate pyrochlore-sulphur doped reduced graphene oxide for electrochemical detection of bendiocarb

The current study reports the synthesis of pyrochlore type Sm2Hf2O7 (SHO) and its nanocomposite with sulfur-doped reduced graphene oxide (SR). SHO/SR nanocomposite was synthesized using a simple hydrothermal method followed by a microwave-aided synthetic method. Morphological investigations indicate that long SHO particles are well-aggregated in the wrinkled two-dimensional SR. Modified the glassy carbon electrodes (GCE) using SHO, SR and SHO/SR and evaluated for the electrochemical detection of an insecticide, bendiocarb (BDC). Enhanced electrochemical performance was observed in SHO/SR@GCE compared to SHO and SR. Superior electrochemical performance in SHO/SR could be attributed to enhanced conductivity, surface area and stability. Differential pulse voltammetry (DPV) technique showed good sensitivity, and the observed range is 0.05 to 300 μM with a 0.671 μM limit of detection (LOD). In addition, DPV technique is used for the detection of BDC in tomatoes and cabbage, finding a good percentage recovery (97.12 to 99.47 %) with less than 2.65 % relative standard deviation (RSD). The stability of the SHO/SR@GCE was good, and the current response retention was found to be 88.6 ± 1.93 % even after twenty days. SHO/SR's versatile structure, stability, conductivity, and surface area make it an ideal material for developing pyrochlore-based materials for electrochemical and energy applications.

High-Potential and Stable Organic Cathode for Rechargeable Batteries with Fast-Charging and Wide-Temperature Adaptability.

Organic carbonyl compounds have been recognized as promising electrodes due to multiple active sites, abundant element resources and flexible structural designability, while their practical applications are still hindered by the easy solubility and low discharge potential. Herein, a novel bipolar polymer composite (TAC) was well-designed by grafting p-type triphenylamine units onto n-type anthraquinone to form an extended π-conjugated structure and in situ growing on carbon nanotubes, which was proved not only with higher discharge potential but also effectively suppress the dissolution issues. Moreover, TAC combined the advantages of different active sites and behaved a dual-ion storage mechanism. Benefitting from the in situ polymerization process, TAC with tube-type core-shell structure exhibited enhanced electron transport and improved utilization of active sites, resulting in high capacity (193 mAh g-1), outstanding rate performance (fast charging within 17 s), long-term stability (a high capacity retention of 87 % after 1000 cycles) and high mass loading (10 mg cm-2). Additionally, TAC can well adapt to the temperature change, outputting a capacity of 72 mAh g-1 at -60 °C and 165 mAh g-1 at 80 °C. Such versatile polymer structure inspires the design of high performance organic materials for rechargeable batteries to satisfy high stability and wide temperature operations.

Mechanical characterization of a 3D printed lattice core sandwich structure

AbstractSandwich structures have garnered interest as versatile structures for applications in advanced engineering structures. To fabricate sandwich structures, plastics have replaced conventional materials; however, most of these plastics remain in the environment beyond their functional lifespan. This study describes the fabrication of sustainable hybrid sandwich structures with 3D printed poly‐lactic acid (PLA) cores and self‐reinforced polyethylene terephthalate (srPET) face sheets. The mechanical responses of the hybrid sandwich structures with three types of lattice cores, S‐90, S‐45, and S‐V, were compared with those of the parent material sandwich structures after performing bending and impact tests. The face sheet in the hybrid sandwich structure transferred the load to the core without failure. The hybrid sandwich structure containing the S‐90 core exhibited a higher fracture strength (52.4 MPa) and tangent modulus of elasticity (2860 MPa) than those of the other structures. S‐V exhibited the highest fracture strains of 3.3% and 5% for parent material and hybrid sandwich structures, respectively. This study highlights the sandwich structures with excellent mechanical properties for structural applications.Highlights Novel sandwich structures with 3D printed PLA cores are fabricated. Three‐point bending and low‐velocity impact tests are performed. Failure occurred in the core, but the Sr‐PET face sheets did not deform. Hybrid sandwich structures significantly improve mechanical performance.

Scalable Macroscopic Engineering from Polymer-Based Nanoscale Building Blocks: Existing Challenges and Emerging Opportunities.

Natural materials exhibit exceptional properties due to their hierarchical structures spanning from the nano- to the macroscale. Replicating these intricate spatial arrangements in synthetic materials presents a significant challenge as it requires precise control of nanometric features within large-scale structures. Addressing this challenge depends on developing methods that integrate assembly techniques across multiple length scales to construct multiscale-structured synthetic materials in practical, bulk forms. Polymers and polymer-hybrid nanoparticles, with their tunable composition and structural versatility, are promising candidates for creating hierarchically organized materials. This review highlights advances in scalable techniques for nanoscale organization of polymer-based building blocks within macroscopic structures, including block copolymer self-assembly with additive manufacturing, polymer brush nanoparticles capable of self-assembling into larger, ordered structures, and direct-write colloidal assembly. These techniques offer promising pathways toward the scalable fabrication of materials with emergent properties suited for advanced applications such as bioelectronic interfaces, artificial muscles, and other biomaterials.

Optimal Energy Management Systems and Voltage Stabilization of Renewable Energy Networks

This paper addresses the challenge of integrating multiple energy sources into a single-domain microgrid, commonly found in urban buildings, while also providing a platform for energy management. A Lyapunov stability analysis of a simple boost converter was used as a basis for designing the dual control loop of the grid. The versatility of the developed control structure allows for the incorporation of an arbitrary number of sources hence achieving scalability. Next, the energy in the microgrid was separated into exogenous energy and actuator energy. This yielded a description of the system that quantified the condition of stability independent of the decision made by a would-be energy management system. This, in turns, liberates the process of designing an optimized energy management system from stability concerns. The acquired theoretical findings were then translated to a simulation model, where multiple components of the grid were simulated under a typical scenario of operation. Once the simulation phase was concluded, a prototype of the designed grid was constructed to emulate the theoretical results. The prototype exhibited promising performance, matching the simulation predictions to a reasonable degree.

Metal-Based Oxygen Reduction Electrocatalysts for Efficient Hydrogen Peroxide Production.

Hydrogen peroxide (H2O2) is a high-value chemical widely used in electronics, textiles, paper bleaching, medical disinfection, and wastewater treatment. Traditional production methods, such as the anthraquinone oxidation process and direct synthesis, require high energy consumption, and involve risks from toxic substances and explosions. Researchers are now exploring photochemical, electrochemical, and photoelectrochemical synthesis methods to reduce energy use and pollution. This review focuses on the 2-electron oxygen reduction reaction (2e- ORR) for the electrochemical synthesis of H2O2, and discusses how catalyst active sites influence O2 adsorption. Strategies to enhance H2O2 selectivity by regulating these sites are presented. Catalysts require strong O2 adsorption to initiate reactions and weak *OOH adsorption to promote H2O2 formation. The review also covers advances in single-atom catalysts (SACs), multi-metal-based catalysts, and highlights non-noble metal oxides, especially perovskite oxides, for their versatile structures and potential in 2e- ORR. The potential of localized surface plasmon resonance (LSPR) effects to enhance catalyst performance is also discussed. In conclusion, emphasis is placed on optimizing catalyst structures through theoretical and experimental methods to achieve efficient and selective H2O2 production, aiming for sustainable and commercial applications.

Two-Dimensional Nanoarchitectonics of End-on Oligomers with Versatile Structures and Tunable Negative Differential Resistance.

Maximizing the molecular information density requires simultaneously functionalizing distinct monomers and their coupling connections. However, current synthesis generally focuses on distinct monomers rather than coupling reactions because the multistep reactions significantly escalate the synthetic complexity in an exponential increase. Here, we report the two-dimensional nanoarchitectures (2DNs) of end-on oligomers, with versatile molecular structures and negative differential resistance (NDR), synthesized by programmed and surface-initiated step electrosynthesis based on the simultaneous utilization of six reactions including cross- and homocouplings. The resulting vertically end-on oligomers, with similar values in thickness and molecular length, as crystalline 2DNs, exhibit subnanometer uniformity, ultrahigh compressive modulus of 40 GPa, and low-bias NDR at 0.13 V with an ultralow power consumption of down to 0.05 nW/μm2. This highly controlled electrosynthesis provides a unique dimension to enhance the structural diversity of molecular 2D nanomaterials for high-density and low-power consumption electronics.

Efficacy of Phthalocyanine‐Based Catalysts in Electrochemical Sensors: A Comprehensive Review

AbstractMetal phthalocyanines (MPcs) are promising materials for electrochemical sensing due to their physicochemical properties, including redox activity, structural versatility, and chemical stability. These materials can incorporate various metals into their central core, ensuring tunable catalytic activity and enhanced sensitivity and selectivity. This makes MPcs valuable for designing advanced electrochemical sensors, which require precise and reliable performance for applications ranging from environmental monitoring to biomedical diagnostics. This review discusses the advancements in MPc‐based catalysts for electrochemical sensors, focusing on their superior catalytic properties, stability under diverse operating conditions, and high functionalization potential. The unique redox behavior of the metal center in MPcs ensures improved detection capabilities of analytes like biomolecules, heavy metal ions, and environmental pollutants, positioning MPc materials as a cornerstone in future sensor technology. MPc‐based sensors have diverse applications across various fields, including environmental sensing, medical diagnostics, and industrial process monitoring. Recent reports highlight the practical relevance and growing importance of MPcs in real‐world applications. Challenges associated with MPc‐based sensors include scalability, environmental stability, and integration into practical devices. The review concludes with a discussion on the future outlook on MPcs in the design and development of next‐generation electrochemical sensors, paving the way for more efficient, cost‐effective, and reliable detection technologies.

Halogen Substitution Strategy for Exploiting High-Performance Molecular Ferroelectrics.

Molecular ferroelectrics are emerging as a robust family of electric-ordered materials due to their distinct structural flexibility, molecular tunability, and versatility. In recent years, diverse chemical design approaches have significantly contributed to discovering and optimizing ferroelectric performances of molecule-based ferroelectric systems. Notably, halogen substitution is one of the most effective strategies for inducing symmetry breaking and optimizing the dipole moments and potential energy barriers. In this minireview, we have summarized recent significant advances of halogen substitution strategy in molecule-based ferroelectrics, including organic-inorganic hybrids and metal-free molecular systems. Subsequently, we discuss the underlying mechanism of halogen substitution to improve ferroelectric performances, including the generation of spontaneous polarization, enhancement of Curie temperature, and bandgap engineering. Finally, the future directions in designing and modulating molecular ferroelectrics by halogen substitution strategy are also highlighted.