Chemphyschem最新文献_第5页

Rheological Modeling to Assess the Gelation Kinetics of Mono- and Multicomponent Supramolecular Hydrogels 评估单组分和多组分超分子水凝胶凝胶化动力学的流变学模型

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-30 DOI: 10.1002/cphc.202500822

Adilson Francisco Luis Samba, Tristan Giraud, Loïc Stefan, Marie-Christine Averlant-Petit, Véronique Sadtler, Thibault Roques-Carmes, Philippe Marchal, Cécile Lemaître

引用次数: 0

Kinetic Evaluation and Fabrication of Co–Fe–B Catalyst in Ethanol for Rapid Hydrogen Production From Sodium Borohydride 硼氢化钠乙醇快速制氢Co-Fe-B催化剂的动力学评价与制备

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-30 DOI: 10.1002/cphc.70553

Mehmet Salih Keskin, Mehmet Salih Ağırtaş

{"title":"Kinetic Evaluation and Fabrication of Co–Fe–B Catalyst in Ethanol for Rapid Hydrogen Production From Sodium Borohydride","authors":"Mehmet Salih Keskin, Mehmet Salih Ağırtaş","doi":"10.1002/cphc.70553","DOIUrl":"https://doi.org/10.1002/cphc.70553","url":null,"abstract":"In this study, Co–Fe–B catalysts were synthesized separately in ethanol and aqueous media under ambient conditions using a chemical reduction–precipitation method for rapid and efficient hydrogen generation from sodium borohydride (NaBH4) hydrolysis. The structural and morphological properties of the synthesized catalysts were characterized by SEM-EDX and XRD analyses. The results demonstrated that the synthesis medium had a significant influence on the catalytic performance. At 30 °C, the hydrogen generation rate of the Co–Fe–B catalyst synthesized in ethanol reached 13,021.6 mL gcat−1 min−1, whereas the catalyst synthesized in water exhibited a hydrogen generation rate of 4005 mL gcat−1 min−1 under the same conditions. The hydrogen generation rate increased with increasing temperature, catalyst amount, and NaBH4 concentration. The reaction order was determined to be approximately 0.9, and the activation energy of the highly active catalyst was calculated as 37.72 kJ mol−1 using the Arrhenius equation. The enhanced catalytic activity of the catalyst synthesized in ethanol was attributed to the formation of a larger active surface area and electron transfer from boron to the active Co and Fe sites. These findings reveal that the synthesis medium plays a critical role in determining the structural properties and hydrogen generation performance of Co–Fe–B catalysts.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 17","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148860189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fragmentation Dynamics of Acetonitrile and Its Oligomers (Dimers to Nonamers) at Ultralow Temperatures 乙腈及其低聚物（二聚体到非聚体）在超低温下的断裂动力学。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-26 DOI: 10.1002/cphc.70543

Riya Gupta, Devendra Mani

{"title":"Fragmentation Dynamics of Acetonitrile and Its Oligomers (Dimers to Nonamers) at Ultralow Temperatures","authors":"Riya Gupta, Devendra Mani","doi":"10.1002/cphc.70543","DOIUrl":"10.1002/cphc.70543","url":null,"abstract":"We have studied the electron ionization-induced fragmentation dynamics of acetonitrile clusters isolated in superfluid helium nanodroplets. The obtained mass spectra reveal a rich fragmentation pattern, including a series of the most prominent (CH3CN)k−1H+ fragments, along with a series of weaker signals arising from <math></math>, (CH3CN)k−1CH2CN+, mono 13C isotopologues of (CH3CN)k−1H+, HenCH3+, and HenCH2•+ fragments. Additionally, in the mass range 10−82 u, peaks corresponding to (CH3CN)CHx+ (x = 0−3), (CH3CN)CN+, and <math></math> fragments were observed. Compared with molecular beam experiments, fragments in the mass range 42−82 u indicate the presence of additional direct fragmentation channels in helium droplet experiments. To determine the origin of the observed fragments, their intensity variation with acetonitrile partial pressure was analyzed. The assignments were further validated using CD3CN isotopologues. The (CH3CN)k−1H+ and (CH3CN)k−1CH2CN+ fragments both originate from the (CH3CN)k clusters of the same size. Moreover, for the clusters with k > 2, the<math></math> fragments also share the origin with (CH3CN)k−1H+ and (CH3CN)k−1CH2CN+ fragments. These findings provide detailed, crucial insights into the chemistry of acetonitrile clusters, initiated by ~24.6 eV of He•+ ions, at ultralow temperatures.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 16","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148825221","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational Studies on a Palladium Atom Adsorption on the Surface of Edge-Modified Nanographenes 边修饰纳米石墨烯表面钯原子吸附的计算研究。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-26 DOI: 10.1002/cphc.70547

Shohei Yamazaki, Ryo Sekiya

{"title":"Computational Studies on a Palladium Atom Adsorption on the Surface of Edge-Modified Nanographenes","authors":"Shohei Yamazaki, Ryo Sekiya","doi":"10.1002/cphc.70547","DOIUrl":"10.1002/cphc.70547","url":null,"abstract":"A key application of graphitic materials is to utilize their vast graphitic surfaces to anchor metal nanoparticles (NPs). A question arises about where metal NPs prefer to adsorb on these carbon sheets. This prompted us to perform density functional theory (DFT) calculations on Pd–nanographene (NG) complexes. This NG features a fully benzenoid structure with 174 carbon atoms and bears N-methyl five-membered imide rings at the edges. It serves as a model for Pd-NP-lipophilic NG composite materials. A single Pd atom was used in the calculations due to limited computational resources. The DFT calculations with or without the polarizable continuum model of THF showed that the Pd atom prefers to adsorb at the edge. An epoxy group, which models an oxidized graphitic surface, also attracts the Pd atom but less selectively than at the edge. On the other hand, no selectivity was found on the graphitic surface because the binding energy is quite similar across the graphitic surface. Based on these calculations, in situ-generated Pd atoms in THF could mainly adsorb at the edges, also attach around oxidized groups on the surface when they exist, and ultimately bind to the graphitic surface.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 16","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148817408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cosurfactant-Mediated Interfacial Flexibility: A Key to Controlling the Morphology of Anisotropic Nanostructures in Cetyltrimethylammonium Bromide Reverse Micelles 共表面活性剂介导的界面柔韧性：控制十六烷基三甲基溴化铵反胶束中各向异性纳米结构形态的关键。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-25 DOI: 10.1002/cphc.70542

Nitin Yadav, Anirban Das, Sugam Kumar, Gunjan Verma, Pramit K. Chowdhury, Vinod K. Aswal, Ashok Kumar Ganguli

{"title":"Cosurfactant-Mediated Interfacial Flexibility: A Key to Controlling the Morphology of Anisotropic Nanostructures in Cetyltrimethylammonium Bromide Reverse Micelles","authors":"Nitin Yadav, Anirban Das, Sugam Kumar, Gunjan Verma, Pramit K. Chowdhury, Vinod K. Aswal, Ashok Kumar Ganguli","doi":"10.1002/cphc.70542","DOIUrl":"10.1002/cphc.70542","url":null,"abstract":"Reverse micelles (RMs) have emerged as versatile soft templates for engineering anisotropic nanostructures. However, insights into how cosurfactant-mediated interfacial flexibility governs morphology remain limited, even though this parameter is critical for the rational design of anisotropic nanomaterials. In this study, we examine how cosurfactant-mediated interfacial dynamics in cetyltrimethylammonium bromide (CTAB)-based RMs direct the growth of copper oxalate (CuOx) nanostructures. By employing two distinct cosurfactants—1-butanol and 1-octanol—we demonstrate a morphology switch from nanorods to nanocubes, respectively. Using the solvatochromic probe Coumarin 343 (C343), we probe solvation dynamics to assess interfacial environments of RMs. The observed biexponential solvation behavior indicates heterogeneous water populations and interfacial perturbations during nanostructure formation. RMs containing 1-octanol exhibit significantly retarded water reorientation, indicating a more rigid interface compared to those with 1-butanol, likely due to stronger interactions between the longer alkyl chain of octanol and the CTAB tails. These interfacial differences correlate with the formation of cube-shaped and rod-shaped nanostructures, respectively. Complementary in situ NMR spectroscopy reveals distinct water microenvironments in butanol- and octanol-based RM systems, aligning with the morphological anisotropy observed. Small-angle neutron scattering (SANS) further confirms cosurfactant-induced changes in the micellar size and packing. Collectively, these findings highlight the pivotal role of cosurfactant-mediated interfacial flexibility in governing the formation of anisotropic nanostructures and provide comprehensive insights for controlling morphology in soft template systems.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 16","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148817399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Substituent-Driven Switch Between Os…O and O…H Interaction and the Emerging Cooperative/Anti-Cooperative Effect in X–Py·OsO4·H2O Ternary Complexes X-Py·OsO4·H2O三元配合物中由取代基驱动的Os…O和O…H相互作用转换及新出现的合作/反合作效应

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-25 DOI: 10.1002/cphc.70549

Sanskruti Ramprasad Mishra, Dipankar Sutradhar

{"title":"Substituent-Driven Switch Between Os…O and O…H Interaction and the Emerging Cooperative/Anti-Cooperative Effect in X–Py·OsO4·H2O Ternary Complexes","authors":"Sanskruti Ramprasad Mishra, Dipankar Sutradhar","doi":"10.1002/cphc.70549","DOIUrl":"10.1002/cphc.70549","url":null,"abstract":"In this study, we present a quantum mechanical investigation of Osme-bonded binary and ternary complexes formed between OsO4, substituted pyridines (X–Py; X = NH2, OCH3, OH, CH3, F, Cl, CF3, CN, and NO2), and H2O molecule, highlighting their potential relevance for higher-order cocrystal design without relying predominantly on hydrogen bond. The binding energies of Os…N Osme-bonded binary complexes (−39.1 to −26.5 kJ/mol) exhibit pronounced substituent dependence and correlate strongly with descriptors like proton affinity, ionization potential, and Vs,min. Atoms in molecule (AIM) analyses confirm partial covalent character of Os…N bond, stabilized by charge transfer and hyperconjugation effects. Incorporation of H2O results in structurally distinct ternary motifs, whose cooperative or anti-cooperative nature can be selectively tuned through rational pyridine substitution. Unsubstituted pyridine forms two ternary arrangements (type I and type II), whereas substitution markedly alters the stability and existence of these motifs, particularly for type II complexes. For type II complexes, electron-donating groups promote hydrogen bonding and reinforce Os…N interactions, resulting in pronounced cooperativity, while electron-withdrawing groups favor alternative Os…O pathways and induce anti-cooperativity. Overall, this study shows how substituent-induced OsO4 distortion controls σ-hole accessibility, directing Osme versus hydrogen bonding to tune structure, cooperativity, and stability in multicomponent assemblies.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 16","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148817402","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development of Nb-Doped Bismuth Titanate as High-Performance Supercapacitor Electrode 掺铌钛酸铋高性能超级电容器电极的研制。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-25 DOI: 10.1002/cphc.70550

Somya Samantaray, Debabrata Mohanty, I-Ming Hung, Lalatendu Biswal, Santosh Kumar Satpathy

{"title":"Development of Nb-Doped Bismuth Titanate as High-Performance Supercapacitor Electrode","authors":"Somya Samantaray, Debabrata Mohanty, I-Ming Hung, Lalatendu Biswal, Santosh Kumar Satpathy","doi":"10.1002/cphc.70550","DOIUrl":"10.1002/cphc.70550","url":null,"abstract":"Niobium (Nb)-doped bismuth titanate (Bi4Ti2.5Nb0.5O12) was developed using a sustainable solid-state method and demonstrated its potential as a high-efficiency electrode material for supercapacitor applications. Nb substitution effectively tailors the structural, morphological, and electrical characteristics of bismuth titanate, leading to enhanced electrical conductivity, optimized grain morphology, and accelerated charge transfer and ion diffusion kinetics at the electrode–electrolyte interface. The optimized Nb-doped sample delivers a high specific capacitance of 630.33 F g−1 at a current density of 3 A g−1, along with an electrical conductivity of 0.65 Ω−1 m−1. The material further exhibits optimal cyclic stability, a high energy density of 1983.1 Wh kg−1, and a power density of 7139.1 W kg−1, outperforming the undoped counterpart. The synergistic role of Nb doping in enhancing both the electrochemical and surface properties of bismuth titanate optimized the Bi4Ti2.5Nb0.5O12 as a promising electrode material for high-performance, next-generation supercapacitors.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 16","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148817383","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Boosting HER/OER Activity of Ni-FeOOH Through S and V Co-Doping 通过S和V共掺杂提高Ni-FeOOH的HER/ over活性。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-25 DOI: 10.1002/cphc.70552

Zhonglong Yu, Jiehu Cui, Longkang Guo, Liang Xu, Shuxia Wang, Zhanjun Yu, Tao Zhang, Jialin Cai

{"title":"Boosting HER/OER Activity of Ni-FeOOH Through S and V Co-Doping","authors":"Zhonglong Yu, Jiehu Cui, Longkang Guo, Liang Xu, Shuxia Wang, Zhanjun Yu, Tao Zhang, Jialin Cai","doi":"10.1002/cphc.70552","DOIUrl":"10.1002/cphc.70552","url":null,"abstract":"Rational manipulation of electronic structure and surface reaction energetics is essential for the development of high-performance bifunctional electrocatalysts for overall water splitting. Herein, a transition-metal doping method is proposed to systematically evaluate the activity of Ni-FeOOH modified with V, Nb, Zr, Mn, and Zn. A new S,V, co-doped Ni-FeOOH heterostructure supported on Ni foam is constructed, which induces redistributed electron density, regulated lattice strain, and enriched oxygen vacancies. As a result, the S,V, co-doped Ni-FeOOH catalyst exhibits outstanding oxygen evolution reaction (OER) performance with a low overpotential of 264 mV at 50 mA cm−2, a small Tafel slope of 28.36 mV dec−1, ECSA of 25.67 mF cm−2, and the lowest charge-transfer resistance (Rct = 1.20 Ω). Meanwhile, the hydrogen evolution reaction (HER) activity is simultaneously enhanced, achieving an overpotential of 99 mV at 10 mA cm−2 with a Tafel slope of 141.2 mV dec−1, ECSA of 64.2 mF cm−2, and Rct = 1.25 Ω. Notably, the catalyst maintains stable OER/HER performance for 600 h at high current densities of 100, 200, and 400 mA cm−2, demonstrating exceptional durability under industrially relevant conditions. This work establishes a periodicity-guided dopant-synergy engineering strategy for simultaneously enhancing activity and durability in bifunctional electrocatalysts for alkaline water electrolysis.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 16","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148817390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Caffeine and 4-Hydroxybenzoic Acid Cocrystal Hydrate: Preparation, Characterization, and Evaluation 咖啡因和4-羟基苯甲酸水合物共晶：制备、表征和评价。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-25 DOI: 10.1002/cphc.70545

Shagun Gogna, Jonathan J. Du, Paul W. Groundwater, Mohamed Fares, Philip Chi Lip Kwok, Grace Tsz Yan Yau, Jan-Willem C. Alffenaar, David E. Hibbs

{"title":"Caffeine and 4-Hydroxybenzoic Acid Cocrystal Hydrate: Preparation, Characterization, and Evaluation","authors":"Shagun Gogna, Jonathan J. Du, Paul W. Groundwater, Mohamed Fares, Philip Chi Lip Kwok, Grace Tsz Yan Yau, Jan-Willem C. Alffenaar, David E. Hibbs","doi":"10.1002/cphc.70545","DOIUrl":"10.1002/cphc.70545","url":null,"abstract":"Caffeine is one of the most consumed stimulants with pharmaceutical benefits; however, its varied pH-dependent solubility (120–‍500 µg/mL) and moderate stability hinder bioavailability. In this study, a 1:1:1 cocrystal hydrate of caffeine with 4-hydroxybenzoic acid was crystallized and systematically reevaluated. SCXRD and PXRD revealed a triclinic system sustained by O─H···O and C─H···O hydrogen bonds. The Hirshfeld surface showed increased H···O/O···H interactions from 11.0% in caffeine to 15.7% in CAF·4HBA·H2O. Thermal analysis of CAF·4HBA·H2O showed a sharp melting endotherm at 166.7 °C with only a small mass loss (~2.46%) before melting, indicating high purity and good thermal stability. Dissolution studies showed the modulated caffeine release, with 2.8% released initially in pH 1.2, gradually increasing to 89.2% by 60 min and nearly complete release by 120 min. In pH 6.8, the CAF·4HBA·H2O achieved rapid and nearly complete release of caffeine within 60 min, compared to slightly slower release from pure caffeine. These results indicate that CAF·4HBA·H2O modulates dissolution kinetics rather than substantially increasing solubility. The present work emphasizes cocrystallization as a viable strategy to tailor dissolution behavior and stability, providing physicochemical insights relevant to oral formulation design.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 16","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13506356/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148817370","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mimicking Cellular Membranes With Micropatterned Lipid Bilayers 用微模式脂质双层模拟细胞膜

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-21 DOI: 10.1002/cphc.70534

Thuy An Nguyen, Zexi Xu, Petra Schwille

引用次数: 0