Journal of Chemical Sciences最新文献

{"title":"Catalytic properties of Ga-substituted ZSM-5 zeolite in propane aromatization","authors":"Guohao Xu","doi":"10.1007/s12039-026-02581-0","DOIUrl":"10.1007/s12039-026-02581-0","url":null,"abstract":"<div><p>A Ga-substituted ZSM-5 zeolite was successfully synthesized via a hydrothermal synthesis method, and its catalytic performance and physicochemical properties in propane aromatization were systematically investigated. Comprehensive characterizations including XRD, SEM, ICP-AES, IR, NH₃-TPD, XPS, N₂ adsorption-desorption and TG analyses revealed that Ga species exhibited the lower tendency to incorporate into the ZSM-5 zeolite framework compared to Al species. The gallium-doped aluminosilicate (GaAlZ5), possessing the largest specific surface area and highest acid content, demonstrated a superior aromatic selectivity of 85.6% and propane conversion of 66.1%, which exceeded those of gallosilicate (GaSiZ5) by 22.5% and 5.6%, respectively. Moreover, the intergranular mesopores in GaAlZ5 enhanced the mass-transfer rate of aromatics, effectively suppressed the formation of coke precursors, and endowed the catalyst with excellent long-term stability as well as regeneration stability. This work provides a facile synthesis strategy and systematic theoretical support for the design of high-stability and high-selectivity Ga-based zeolite catalysts for propane aromatization.</p><h3>Graphical abstract</h3><p>This graphical abstract illustrates the bifunctional tandem pathway of propane aromatization, where propane is activated to propylene via dehydrogenation over Ga-based Lewis acid sites, followed by aromatization under the synergy of Brønsted and Lewis acid sites. This work reports a Ga-modified ZSM-5 zeolite (GaAlZ5) with optimized acid properties and pore structure, which delivers 66.1% propane conversion and 85.6% aromatics selectivity with excellent recyclability, providing a facile approach for light alkane valorization.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 4","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927715","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced photocatalytic pathway to disintegrate toxic indigo carmine by Eu-doped BiOCl","authors":"M K A Menoth,&nbsp;Naveed Rahman,&nbsp;S Harini Sree,&nbsp;H M Shashanka,&nbsp;Sarvesh Kumar,&nbsp;P N Anantharamaiah,&nbsp;N Manikanda Prabu","doi":"10.1007/s12039-026-02565-0","DOIUrl":"10.1007/s12039-026-02565-0","url":null,"abstract":"<p>Different chemical compositions in the Bi_1-<i>x</i>Eu_<i>x</i>OCl (0 ≤ <i>x</i> ≤ 0.12) series were synthesized via a co-precipitation method, followed by calcination at 350 °C for a duration of 4 h. Phase purity of the compounds was assessed through powder X-ray diffraction which confirmed the single phase of Bi_1-<i>x</i>Eu_<i>x</i>OCl samples. With increasing Eu content, the diffraction peaks shift towards higher 2θ values, signifying decrease in unit cell volume. This conclusion was corroborated by Raman spectral analysis, which revealed characteristic bands corresponding to BiOCl and its doped derivatives. The band gap of BiOCl, as determined using a Tauc plot, was estimated as 3.55 eV. As the amount of europium increased, the band gap exhibited a reduction at <i>x</i> = 0.04 and 0.08. However, a slight increment to 3.52 eV was observed for the composition with <i>x</i> = 0.12. To assess photocatalytic efficacy, the synthesized compounds were subjected to photodegradation experiments using a 10 ppm indigo carmine. Notably, 8% Eu-doped BiOCl (<i>x</i> = 0.08) demonstrated the maximum activity, completely degrading indigo carmine in just 60 min under solar light irradiation. Moreover, reusability of the sample was explored which persisted for up to five cycles without any discernible decline.</p><p>Eu-doped BiOCl nanoparticles were synthesized through a coprecipitation method and evaluated for UV and solar-driven photocatalytic degradation of indigo carmine dye. Among the synthesized compositions, 8% Eu-BiOCl exhibited the highest degradation efficacy, achieving complete degradation within 60 min under sunlight irradiation with excellent reusability, highlighting its potential application in wastewater treatment.</p>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 4","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927716","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of water on (text{HCHO} + text{HO}^bullet _2) reaction","authors":"Vishva Jeet Anand,&nbsp;Pradeep Kumar","doi":"10.1007/s12039-026-02567-y","DOIUrl":"10.1007/s12039-026-02567-y","url":null,"abstract":"<p>In the present work, we investigated the influence of water on the gas-phase reaction of formaldehyde (HCHO) with hydroperoxyl radicals (<span>(hbox {HO}^bullet _2)</span>) using quantum chemical calculations and kinetics. For quantum chemical calculations, we used the CCSD(T)-F12/cc-pVTZ-F12//M06-2X/6-311+G(2df,2p) level of theory, while for the rate constant calculation, we used conventional transition state theory. Our study suggests that the water catalyzed HCHO<span>(,+)</span> <span>(hbox {HO}^bullet _2)</span> path proceeds much slower than the uncatalyzed reaction over the temperature range 200–450 K. By comparing the rate constant of water catalyzed HCHO<span>(,+)</span> <span>(hbox {HO}^bullet _2)</span> with the water catalyzed HCHO<span>(,+)</span> <span>(hbox {HO}^bullet)</span> reaction, we found that <span>(hbox {HO}^bullet _2)</span> cannot compete with <span>(hbox {HO}^bullet)</span> in degrading HCHO in the presence of water.</p><p>Water signifi cantly suppresses the reactions of HCHO with both HO and HO radicals. However, the inhibition is much stronger for HCHO + HO than for the HCHO + HO reaction, indicating HO is not a significant sink for HCHO in the atmosphere and humid conditions. </p>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 4","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ab-initio study of proton transfer reaction of water–ammonia and water–methylamine complex in the presence of external electric field","authors":"Shalini Namdev,&nbsp;Saurabh Mishra,&nbsp;Sumit Mittal,&nbsp;Satyam Ravi","doi":"10.1007/s12039-026-02563-2","DOIUrl":"10.1007/s12039-026-02563-2","url":null,"abstract":"<p>It is widely accepted that external electric fields (EEFs) can act as an external stimuli that is capable of enhancing the reactivity of chemical processes, which would remain inaccessible under experimental conditions. In particular, as shown in previous works, the reactivity of proton-transfer reactions can be substantially enhanced in the presence of an applied EEFs. This article reports a detailed <i>ab-initio</i> study of structural changes and energetics of proton-transfer reactions in the water<span>(dots)</span>ammonia (AW), water-dimer<span>(dots)</span>ammonia (<span>(hbox {AW}_2)</span>), and methylamine<span>(dots)</span>water (MAW) complexes under the varying strength of EEFs, using the M06-2X/cc-pVTZ level of theory. In all complexes, the applied electric field weakens the covalent donor O–H bond, and simultaneously strengthens the H-bond, thereby facilitating proton transfer reaction at well-defined critical field values. Our results indicate that the critical field for AW complexes is 2.4 V/Å, which is significantly higher as compared to strong acid–bases case. This threshold value can be further lowered by either increasing acidity of water or basisity of ammonia. For example, in the <span>(hbox {AW}_2)</span> complex, the critical field value decreases to 2.2 V/Å due to stabilization of the nascent <span>(hbox {OH}^{-})</span> ion by additional water molecule through H-bonding. Similarly, in the MAW complex, the higher basicity of methylamine allows it to form a stronger hydrogen bond with water, further stabilizing <span>(hbox {OH}^{-})</span> and reducing the critical field to 2.0 V/Å. All these results are reinforced by hybrid QM/MM calculation on solvated complexes, which again supports the observed trends. Futhermore, the obtained vibrational Stark shift again confirm our results. Overall, this study provides a deeper insight into how electric field can trigger the weak acid–base proton transfer, and highlight the crucial role of local-fields and molecular environment in modulating field-induced reactivity.</p><p>This work demonstrates how external electric fi elds promote proton transfer in weakly hydrogen-bonded water ammonia complexes. Structural analysis, calculated vibrational spectra, and QM/MM simulations reveal that the surrounding molecular environment stabilizes ionic products, lowers the critical electric fi eld, and enhances protontransfer reactivity, providing molecular-level insight into fi eld-driven chemical transformations.</p>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 4","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Noble metals (Pd, Pt, Ru) supported on nickel oxide doped graphitic carbon nitride as efficient bifunctional electrocatalysts for hydrogen evolution and oxygen reduction","authors":"C Renugadevi,&nbsp;L Cindrella","doi":"10.1007/s12039-026-02576-x","DOIUrl":"10.1007/s12039-026-02576-x","url":null,"abstract":"<div><p>The present energy landscape with impetus on fuel cells, requires the design of efficient and durable bifunctional electrocatalysts for advancing energy conversion technologies. In the present study, a controllable strategy aiming at optimum composition of electrocatalysts was achieved by tailoring nickel oxide nanorods onto g-C₃N₄ surfaces, serving as active supports for noble metals. The ethylene glycol reduction method is utilized to anchor these noble metals (10 wt.% of palladium, platinum, and ruthenium separately) on the compositionally tuned NiO/g-C₃N₄ composite, resulting in enhanced active site exposure and catalytic performance. Of the three, Ru–NiO/g-C₃N₄ showed an extremely low overpotential of 20 mV <i>vs.</i> RHE at 10 mA cm^–2 for hydrogen evolution reaction. On the other hand, the other two catalysts, Pd-NiO/g-C₃N₄ and Pt-NiO/g-C₃N₄ show very low half-wave potential of 0.923 and 0.940 V <i>vs.</i> RHE for ORR, respectively. The present study summarizes the understanding of the cooperation in these electrocatalysts among the constituents, namely, noble metal/transition metal oxide–carbon nanostructures, for an enhanced electrochemical performance aiming at the design of bifunctional electrocatalysts and their application in sustainable energy systems.</p><h3>Graphical abstract</h3><p>Advanced electrocatalysts designed for energy conversion technologies by anchoring various noble metal nanoparticles such as palladium, platinum, or ruthenium, onto nickel oxide nanorods supported by graphitic carbon nitride. The left plot evaluates their performance for the HER, and the right plot assesses their ORR. The synergistic engineering of this noble metal/transition metal oxide–carbon interface delivers enhanced electrocatalytic activity and structural stability for both electrochemical processes.\u0000</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 4","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Fiber optic photonic sensing framework: From fundamental to real field applications","authors":"Rani Dutta,&nbsp;Soma Saha,&nbsp;Tapanendu Kundu","doi":"10.1007/s12039-026-02569-w","DOIUrl":"10.1007/s12039-026-02569-w","url":null,"abstract":"<div><p>This review presents the feasibility of evanescent field-based fiber optic sensors across a wide range of applications. We evaluated two distinct sensing platforms based on localized surface plasmon resonance (LSPR) and a metal-free porphyrin-based fiber optic sensor. To maximize evanescent field penetration depth and sensitivity, U-bent and D-shaped fiber probe geometries were employed. For LSPR-based U-bent sensors, nanoparticle distribution was optimized, which is essential for controlling plasmonic coupling and maximizing sensitivity. Further, these probes are used for various applications, including the field of biosensing, water safety monitoring, and clinical diagnostics. Additionally, the review explores the unique potential of these platforms for monitoring ultrafast thermal dynamics of materials. In parallel, porphyrinimmobilized optical fiber probes were reviewed as powerful spectroscopic sensing platforms by monitoring UV-Vis absorption changes in Soret and Q bands, enabling selective detection of volatile gases and metal ions. The spectral feature changes during various analyte interactions produce high-dimensional data that necessitate advanced analysis techniques. These were analyzed using both unsupervised and supervised algorithms for spectral classification and analyte identification, with a focus on the critical role of spectral preprocessing in enhancing classification accuracy. Collectively, these platforms provide a comprehensive framework for next-generation, stable, and remote fiber-optic sensing systems.</p><h3>Graphical abstract</h3><p>The graphical abstract depicts two distinct evanescent-fi eld-based optical fiber sensing platforms. One platform employs a metal-nanoparticle-based fiber-optic probe, in which analyte binding to the fiber core surface induces changes in the LSPR absorption spectrum. The other utilizes porphyrin-immobilized optical fiber probes, where analyte interactions induce characteristic changes in the Soret and Q bands of the porphyrin absorption spectrum. These spectral changes enable analyte identification through machine learning-assisted spectral analysis. </p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mn(II) impregnated kaolinite as an efficient heterogeneous catalyst for wet peroxide oxidation of 2-chlorophenol and 4-chlorophenol","authors":"Nayan J Khound,&nbsp;Nirupam Khanikar","doi":"10.1007/s12039-026-02561-4","DOIUrl":"10.1007/s12039-026-02561-4","url":null,"abstract":"<div><p>A new Mn(II) incorporated kaolinite was designed and synthesized via the impregnation method followed by calcination at 723 K for 360 min, then characterized with AAS, XRD, surface area, SEM, and FTIR measurements. Catalytic wet peroxide oxidations (CWPO) of 2–chlorophenol (2–CP) and 4–chlorophenol (4–CP) were assigned to probe the reactivity and activity of the catalyst prepared. The results showed that Mn(II) could be successfully incorporated into the interlayer of kaolinite, where surface area and the intensity of basal space of kaolinite were slightly altered to 7.02 A° and 24.96 m²/g. The heterogeneous catalyst exhibited first-order kinetics, with 87.9% of 2–CP and 77.3% of 4–CP conversion, accompanied by the activation energy, <i>E</i>_a, as 36.13 kJ/ mol for 2–CP and 46.30 kJ/mol for 4–CP respectively. The catalyst offered higher reactivity at the optimum conditions of 353 K temperature, 1:20 molar ratio of CP: H₂O₂, 2.0 g/L catalyst loading, 0.2×10^–3 M CP concentration with 33.67% leaching of Mn(II) at pH 6.0.</p><h3>Graphical abstract</h3><p>The graphical abstract portrayed the incorporation of Mn(II) into the interlayer of Kaolinite at 723 K for 360 min and then assessment of the reactivity of the catalyst through one-pot catalytic Wet Peroxide Oxidations (CWPO) of 2–chlorophenol (2–CP) and 4–chlorophenol (4–CP). The heterogeneous catalyst showed 87.9% of 2–CP and 77.3% of 4–CP oxidation under the optimum conditions of temperature (T: 353K), CP: H₂O₂ mole ratio (CP:P: 1:20), catalyst loading (CL: 2.0 g/L), and CP concentration (CPC: 0.2x10^-3 M).</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and characterization of Tröger’s base amide-functionalized chitosan polymer (TB_CONH@CS) for enhanced bioactivity and pH-responsive drug delivery","authors":"Preeti Jaiswal,&nbsp;Ruchi Chawla,&nbsp;Pradip Kumar Dutta","doi":"10.1007/s12039-026-02574-z","DOIUrl":"10.1007/s12039-026-02574-z","url":null,"abstract":"<div><p>A novel Tröger’s base amide-functionalized chitosan polymer (TB_CONH@CS) was synthesized via EDC/NHS-mediated carbodiimide coupling, forming stable amide linkages. Comprehensive characterization by FT-IR, PXRD, ¹H NMR, DLS, zeta potential, and FE-SEM confirmed successful conjugation, spherical morphology of the blank conjugate (371 nm, +43.6 ± 6.91 mV), and rod-shaped morphology upon curcumin loading (426 nm, +38.3 ± 6.36 mV) and the degree of substitution, DS ≈15.6% by ¹H NMR method. TB_CONH@CS showed markedly enhanced antioxidant activity over native chitosan, with 31.5% DPPH and 78.8% ABTS scavenging at 1.6 mg/mL, due to secondary amide protons and the electron-rich Tröger’s base scaffold. Curcumin encapsulation achieved high efficiency (92 ± 2.3%) and drug loading (43 ± 1.7%). <i>In vitro</i> release exhibited excellent stability at pH 7.4 (&lt;15% after 14 days) and accelerated, sustained release at tumor-relevant pH 5.0 (45.3% in 24 h, 79.6% in 14 days). The conjugate displayed outstanding biocompatibility with L929 fibroblasts (&gt;92% viability at 100 µg/mL) and selective cytotoxicity against MDA-MB-231 breast cancer cells (IC₅₀ = 18 µg/mL). <i>In vitro</i> α-amylase inhibition indicated promising antidiabetic potential. These results establish TB_CONH@CS as a safe, multifunctional chitosan-based platform integrating enhanced bioactivity with robust tumor pH-responsive delivery of hydrophobic drugs, making it a promising candidate for targeted chemotherapeutic applications.</p><h3>Graphical abstract</h3><p>Synopsis- A novel TB_CONH@CS synthesized via carbodiimide-mediated coupling. Featuring a hydrophobic cavity, it achieves high curcumin encapsulation efficiency. Upon curcumin loading, the conjugate exhibits rod-like morphology. Furthermore, the conjugate exhibits pH-responsive release, potent antioxidant and antidiabetic effects, and selective cytotoxicity against MDA-MB-231 cells, offering a biocompatible, multipurpose platform for targeted cancer therapy.</p>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Selenopeptide self-assembly and oxidation-induced conversion to a thiophenol-ligated product","authors":"Abhishek Tripathi,&nbsp;Sushil Swaroop Pathak","doi":"10.1007/s12039-026-02572-1","DOIUrl":"10.1007/s12039-026-02572-1","url":null,"abstract":"<div><p>Molecular self-assemblies, particularly amyloid fibrils at the micro- and nanoscale, play a crucial role in understanding biomolecular functions of peptides. Recent efforts show that selenopeptides are being studied to understand the role of selenium (Se) in molecular self-assemblies. In this context, this study reports the synthesis of a Se-containing tripeptide, {Sec(C₆H₅)-Sec(C₆H₅)-Sec(C₆H₅)-NH₂} (<b>1</b>), through solid-phase peptide synthesis (SPPS). Oxidation of <b>1</b> with hydrogen peroxide (H₂O₂), followed by <i>in-situ</i> thiophenol (PhSH) ligation, produced the corresponding S-tripeptide, {Cys(C₆H₅)-Cys(C₆H₅)-Cys(C₆H₅)-NH₂} (<b>2</b>). Both tripeptides were characterized using NMR, FT-IR, HR-MS, RP-HPLC, CD spectroscopy, fluorescence spectroscopy and fiber X-ray diffraction. Their molecular self-assemblies were investigated by SEM, TEM, and AFM. Se-tripeptide <b>1</b> formed amyloid-like fibrils, which, upon oxidative deselenization and thiol ligation, transformed into flower-like microstructures of S-tripeptide <b>2</b>. Findings highlight the role of Se in selenopeptide self-assembly and its tunability through chemical modification.</p><h3>Graphical abstract</h3><p>A selenium-containing tripeptide was synthesized by SPPS method and transformed into its sulfur analogue through oxidative deselenization followed by in situ thiophenol ligation. This chemical modification induced a transition in self-assembly from amyloid-like fibrils to flower-like microstructures, demonstrating the critical role of selenium in regulating peptide supramolecular architecture. </p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148928019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optimization of phosphorus diffusion parameters and multiphase phosphosilicate glass modeling for high-performance mono-PERC solar cells","authors":"Devdutt Singh,&nbsp;B K Pant,&nbsp;Himadri Agarwal","doi":"10.1007/s12039-026-02559-y","DOIUrl":"10.1007/s12039-026-02559-y","url":null,"abstract":"<p>The solar photovoltaic (PV) industry is undergoing a transition from passivated emitter rear contact (PERC) architectures to advanced designs such as TOPCon, demanding tighter control over emitter formation processes. Phosphorus diffusion remains a critical step for high-efficiency silicon solar cells, yet industrial-scale optimization is still evolving because of incomplete understanding of phosphorus-silicate glass (PSG) behaviour and dopant dynamics. This study presents a systematic optimization of diffusion parameters including O₂ flow rate, temperature, and drive-in time through combined experimentation and a novel multiphase reaction-diffusion model. The proposed model conceptualizes PSG as a compositionally graded tri-layer structure (P₂O₅-rich, eutectic, and SiO₂-rich zones), each with distinct diffusivities and transport characteristics. Experimental validation on 156.75 × 156.75 mm monocrystalline wafers demonstrated uniform emitter formation (sheet resistance: 100 ± 3 Ω/square), reduced surface phosphorus clustering, and enhanced gettering efficiency. Electrochemical capacitance-voltage (ECV) profiling and minority carrier lifetime (MCLT) measurements confirmed improved junction quality, resulting in a peak conversion efficiency of 22.1% with notable gains in V_OC (+12 mV) and fill factor (+1.2% absolute). This work establishes a high-fidelity process framework for industrial phosphorus diffusion and offers practical insights for scaling to next-generation cell architectures.</p><p>Optimization of Phosphorus Diffusion Parameters PERC Solar Cells having efficiency of &gt; 22%. The graphical abstract presents the optimization of phosphorous diffusion parameters in mono-crystaline PERC Solar Cells. A multiphase reaction-diffusion model incorporating PSG, SiO₂-rich, eutectic, and P₂O₅-rich phases is combined with experimental optimization of temperature and oxygen flow to enhance minority carrier lifetime and charge collection to enable solar cell efficiency &gt; 22%. </p>","PeriodicalId":616,"journal":{"name":"Journal of Chemical Sciences","volume":"138 3","pages":""},"PeriodicalIF":1.8,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148837952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}