Pub Date : 2025-12-21DOI: 10.1016/j.cplett.2025.142615
Ruifeng Wang, Jiabao Bai, Zhengtao Qiu, Yelin Ding, Chun Sun
Hydrogen peroxide (H2O2) is a versatile green oxidant with wide-ranging applications. In this study, a bismuth ion (Bi3+)-gradient-doped indium sulfide (In2S3) photocatalyst with abundant sulfur vacancies (Vs) was successfully prepared via a polyvinylpyrrolidone (PVP)-assisted hydrothermal method combined with solid-state grinding. The synergy of Bi3+ doping and Vs narrows the bandgap and constructs a built-in electric field for directional carrier transport, enabling the catalyst to achieve a H2O2 production rate of 784.35 μmol g−1 h−1 under visible light (λ ≥ 420 nm). This work establishes a novel paradigm for designing high-performance sulfide photocatalysts.
{"title":"Directional Electron transport in In2S3 enabled by Bi3+ gradient doping and sulfur vacancies for efficient photocatalytic H2O2 production","authors":"Ruifeng Wang, Jiabao Bai, Zhengtao Qiu, Yelin Ding, Chun Sun","doi":"10.1016/j.cplett.2025.142615","DOIUrl":"10.1016/j.cplett.2025.142615","url":null,"abstract":"<div><div>Hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) is a versatile green oxidant with wide-ranging applications. In this study, a bismuth ion (Bi<sup>3+</sup>)-gradient-doped indium sulfide (In<sub>2</sub>S<sub>3</sub>) photocatalyst with abundant sulfur vacancies (V<sub>s</sub>) was successfully prepared via a polyvinylpyrrolidone (PVP)-assisted hydrothermal method combined with solid-state grinding. The synergy of Bi<sup>3+</sup> doping and V<sub>s</sub> narrows the bandgap and constructs a built-in electric field for directional carrier transport, enabling the catalyst to achieve a H<sub>2</sub>O<sub>2</sub> production rate of 784.35 μmol g<sup>−1</sup> h<sup>−1</sup> under visible light (λ ≥ 420 nm). This work establishes a novel paradigm for designing high-performance sulfide photocatalysts.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142615"},"PeriodicalIF":3.1,"publicationDate":"2025-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838004","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}
Pub Date : 2025-12-19DOI: 10.1016/j.cplett.2025.142613
Geon Woo Kim , Woon Yong Sohn
We investigated charge transfer in CH3NH3Pb(IxBr1-x)3 (MAPb(I1-xBrx)3) films using near-field heterodyne transient grating (NF-HD-TG) spectroscopy. Faster recombination of holes in the FTO and electrons trapped in SnO2, which is used as the electron transport layer (ETL), indicates enhanced hole injection. Br-rich films showed enhanced charge transfer, explaining higher open circuit voltage (Voc) in MAPbBr3 via efficient charge separation.
{"title":"Efficient charge transfer in MAPb(IxBr1-x)3: Impact of halide composition","authors":"Geon Woo Kim , Woon Yong Sohn","doi":"10.1016/j.cplett.2025.142613","DOIUrl":"10.1016/j.cplett.2025.142613","url":null,"abstract":"<div><div>We investigated charge transfer in CH<sub>3</sub>NH<sub>3</sub>Pb(I<sub>x</sub>Br<sub>1-x</sub>)<sub>3</sub> (MAPb(I<sub>1-x</sub>Br<sub>x</sub>)<sub>3</sub>) films using near-field heterodyne transient grating (NF-HD-TG) spectroscopy. Faster recombination of holes in the FTO and electrons trapped in SnO<sub>2</sub>, which is used as the electron transport layer (ETL), indicates enhanced hole injection. Br-rich films showed enhanced charge transfer, explaining higher open circuit voltage (Voc) in MAPbBr<sub>3</sub> via efficient charge separation.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142613"},"PeriodicalIF":3.1,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838002","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}
Pub Date : 2025-12-19DOI: 10.1016/j.cplett.2025.142610
Tong Kang , Zengming Qin , Zejun Xu , Xiaofeng Li , Jingxiang Zhao
The use of C4F7N and C6F12O as SF6 alternatives in gas-insulated switchgear generates toxic fluorocarbons (C2F4, CF4, and C2F6). To detect them, we investigated transition metal (Co, Cu, Pd, Pt)-doped CdCl2 monolayers using DFT. Our results show that Co, Pd, and Pt dopants enable strong chemical adsorption of C2F4. The Co-CdCl2 system shows high sensitivity to all three gases, while Pd-CdCl2 and Pt-CdCl2 are highly sensitive to C2F4. At room temperature, Co-CdCl2 and Pd-CdCl2 exhibit excellent detection capability for C2F4 with suitable desorption times. These findings support the design of advanced sensors for selective gas monitoring.
{"title":"TM-doped CdCl2 monolayer as a sensor for decomposition products of fluorocarbon gases in gas-insulated switchgear: A first-principles study","authors":"Tong Kang , Zengming Qin , Zejun Xu , Xiaofeng Li , Jingxiang Zhao","doi":"10.1016/j.cplett.2025.142610","DOIUrl":"10.1016/j.cplett.2025.142610","url":null,"abstract":"<div><div>The use of C<sub>4</sub>F<sub>7</sub>N and C<sub>6</sub>F<sub>12</sub>O as SF<sub>6</sub> alternatives in gas-insulated switchgear generates toxic fluorocarbons (C<sub>2</sub>F<sub>4</sub>, CF<sub>4</sub>, and C<sub>2</sub>F<sub>6</sub>). To detect them, we investigated transition metal (Co, Cu, Pd, Pt)-doped CdCl<sub>2</sub> monolayers using DFT. Our results show that Co, Pd, and Pt dopants enable strong chemical adsorption of C<sub>2</sub>F<sub>4</sub>. The Co-CdCl<sub>2</sub> system shows high sensitivity to all three gases, while Pd-CdCl<sub>2</sub> and Pt-CdCl<sub>2</sub> are highly sensitive to C<sub>2</sub>F<sub>4</sub>. At room temperature, Co-CdCl<sub>2</sub> and Pd-CdCl<sub>2</sub> exhibit excellent detection capability for C<sub>2</sub>F<sub>4</sub> with suitable desorption times. These findings support the design of advanced sensors for selective gas monitoring.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142610"},"PeriodicalIF":3.1,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837987","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}
Pub Date : 2025-12-19DOI: 10.1016/j.cplett.2025.142612
Yue Gou , Sen Zheng , Ye Ming Qing , Zheng Xing Wang , Liang Wei Wu , Lei Lei Liu , Hui Feng Ma
Spin-decoupled metasurfaces can flexibly manipulate circularly polarized electromagnetic waves. Here, a low-absorption dual-chirality metasurface (LADCM) is proposed, which enables polarization-frequency multiplexed wavefront manipulation for circularly polarized waves. The proposed meta-atom realizes polarization-frequency independent phase control with full 360° coverage and high co-polarized reflection efficiency by individually shifting the chiral resonant frequencies of orthogonal circular polarizations. For validation, LADCM is engineered to realize frequency-modulated polarization continuous rotation and polarization-frequency multiplexed holographic encryption and camouflage. Both simulation and measurement results validate the versatile wavefront manipulation capabilities of the LADCM, showing promising prospects in imaging technique, holographic encryption and information security.
{"title":"Low-absorption dual-chirality metasurfaces for polarization-frequency multiplexed wavefront manipulation","authors":"Yue Gou , Sen Zheng , Ye Ming Qing , Zheng Xing Wang , Liang Wei Wu , Lei Lei Liu , Hui Feng Ma","doi":"10.1016/j.cplett.2025.142612","DOIUrl":"10.1016/j.cplett.2025.142612","url":null,"abstract":"<div><div>Spin-decoupled metasurfaces can flexibly manipulate circularly polarized electromagnetic waves. Here, a low-absorption dual-chirality metasurface (LADCM) is proposed, which enables polarization-frequency multiplexed wavefront manipulation for circularly polarized waves. The proposed meta-atom realizes polarization-frequency independent phase control with full 360° coverage and high co-polarized reflection efficiency by individually shifting the chiral resonant frequencies of orthogonal circular polarizations. For validation, LADCM is engineered to realize frequency-modulated polarization continuous rotation and polarization-frequency multiplexed holographic encryption and camouflage. Both simulation and measurement results validate the versatile wavefront manipulation capabilities of the LADCM, showing promising prospects in imaging technique, holographic encryption and information security.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142612"},"PeriodicalIF":3.1,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838040","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}
Pub Date : 2025-12-19DOI: 10.1016/j.cplett.2025.142611
Xiao Mi, Yao Wei, Zhang Weixi, Duan Haotian, Yang Songyi, Song Zhuoyuan, Gao Xiaofan, Du Xinyue, Hui xinyu
Herein, a novel polyaniline (PANI)-doped polyvinyl alcohol (PVA) /carboxymethyl cellulose (CMC) gel polymer electrolyte (GPE) is successfully fabricated through a facile freeze-thaw method. The abundant polar groups and high surface area of PANI enhance ion adsorption and transport, significantly improving the ionic conductivity. The optimal PANI content (0.10 g) yields a conductivity of 223.6 mS cm−1, greatly exceeding the undoped GPE (133.3 mS cm−1). A flexible supercapacitor built with this GPE demonstrates a high energy density of 23.11 Wh kg−1 at 800 W kg−1, showing great promise for high-performance flexible devices.
本研究成功制备了一种新型聚苯胺（PANI）掺杂聚乙烯醇(PVA) /羧甲基纤维素（CMC）凝胶聚合物电解质（GPE）。聚苯胺丰富的极性基团和高的比表面积增强了离子的吸附和运输，显著提高了离子的电导率。最佳PANI含量（0.10 g）的电导率为223.6 mS cm - 1，大大超过未掺杂的GPE （133.3 mS cm - 1）。用这种GPE制成的柔性超级电容器在800 W kg - 1时具有23.11 Wh kg - 1的高能量密度，显示出高性能柔性器件的巨大前景。
{"title":"A novel strategy using polyaniline-modified hydrogel electrolytes to enhance the performance of flexible supercapacitors","authors":"Xiao Mi, Yao Wei, Zhang Weixi, Duan Haotian, Yang Songyi, Song Zhuoyuan, Gao Xiaofan, Du Xinyue, Hui xinyu","doi":"10.1016/j.cplett.2025.142611","DOIUrl":"10.1016/j.cplett.2025.142611","url":null,"abstract":"<div><div>Herein, a novel polyaniline (PANI)-doped polyvinyl alcohol (PVA) /carboxymethyl cellulose (CMC) gel polymer electrolyte (GPE) is successfully fabricated through a facile freeze-thaw method. The abundant polar groups and high surface area of PANI enhance ion adsorption and transport, significantly improving the ionic conductivity. The optimal PANI content (0.10 g) yields a conductivity of 223.6 mS cm<sup>−1</sup>, greatly exceeding the undoped GPE (133.3 mS cm<sup>−1</sup>). A flexible supercapacitor built with this GPE demonstrates a high energy density of 23.11 Wh kg<sup>−1</sup> at 800 W kg<sup>−1</sup>, showing great promise for high-performance flexible devices.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142611"},"PeriodicalIF":3.1,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837988","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}
Pub Date : 2025-12-18DOI: 10.1016/j.cplett.2025.142601
Olga V. Dorofeeva, Oxana N. Ryzhova
The gas phase enthalpies of formation of parent molecules, porphin and calix[4]pyrrole, were determined using high-level G4 and DLPNO-CCSD(T1) methods and these values were used as reference values for predicting the enthalpies of formation of porphyrins and calix[4]pyrroles. Calculations for the remaining compounds were performed using the revDSD-PBEP86-D4 method which provides a good balance between accuracy and computational cost. The solid-phase enthalpies of formation were obtained using the enthalpies of sublimation evaluated from their correlation with the descriptors of the molecular electrostatic potential. The calculated results were employed to resolve contradictions in the available experimental data.
{"title":"Enthalpy of formation of porphyrins and calix[4]pyrroles from quantum chemical calculations","authors":"Olga V. Dorofeeva, Oxana N. Ryzhova","doi":"10.1016/j.cplett.2025.142601","DOIUrl":"10.1016/j.cplett.2025.142601","url":null,"abstract":"<div><div>The gas phase enthalpies of formation of parent molecules, porphin and calix[4]pyrrole, were determined using high-level G4 and DLPNO-CCSD(T<sub>1</sub>) methods and these values were used as reference values for predicting the enthalpies of formation of porphyrins and calix[4]pyrroles. Calculations for the remaining compounds were performed using the revDSD-PBEP86-D4 method which provides a good balance between accuracy and computational cost. The solid-phase enthalpies of formation were obtained using the enthalpies of sublimation evaluated from their correlation with the descriptors of the molecular electrostatic potential. The calculated results were employed to resolve contradictions in the available experimental data.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142601"},"PeriodicalIF":3.1,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838001","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}
Pub Date : 2025-12-17DOI: 10.1016/j.cplett.2025.142605
Olga Zhytniakivska , Uliana Malovytsia , Elena Kirilova , Kateryna Vus , Valeriya Trusova , Galyna Gorbenko
The applicability of novel fluorescent benzanthrone dyes for monitoring changes in lipid bilayer physicochemical properties was evaluated using fluorescence spectroscopy and molecular dynamics simulations. The incorporation of anionic cardiolipin (CL) or cholesterol (Chol) into phosphatidylcholine (PC) membranes significantly modulates dye binding, emission maxima, and quantum yields, reflecting benzanthrones' sensitivity to variations in bilayer polarity, packing, and hydration. Molecular dynamics simulations revealed that the localization of benzanthrone dyes within the lipid bilayer depends on membrane composition. These findings enhance our understanding of the mechanisms underlying benzanthrone dye–membrane interactions and provide valuable insights for the design of new fluorescent probes for membrane research.
{"title":"Exploring interactions between novel benzanthrone dyes and lipid bilayers: Insights from fluorescence spectroscopy and molecular dynamics simulations","authors":"Olga Zhytniakivska , Uliana Malovytsia , Elena Kirilova , Kateryna Vus , Valeriya Trusova , Galyna Gorbenko","doi":"10.1016/j.cplett.2025.142605","DOIUrl":"10.1016/j.cplett.2025.142605","url":null,"abstract":"<div><div>The applicability of novel fluorescent benzanthrone dyes for monitoring changes in lipid bilayer physicochemical properties was evaluated using fluorescence spectroscopy and molecular dynamics simulations. The incorporation of anionic cardiolipin (CL) or cholesterol (Chol) into phosphatidylcholine (PC) membranes significantly modulates dye binding, emission maxima, and quantum yields, reflecting benzanthrones' sensitivity to variations in bilayer polarity, packing, and hydration. Molecular dynamics simulations revealed that the localization of benzanthrone dyes within the lipid bilayer depends on membrane composition. These findings enhance our understanding of the mechanisms underlying benzanthrone dye–membrane interactions and provide valuable insights for the design of new fluorescent probes for membrane research.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142605"},"PeriodicalIF":3.1,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145789211","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}
Pub Date : 2025-12-17DOI: 10.1016/j.cplett.2025.142609
Jaesub Lee , Sunkyung You , Taegyun Kwon , Seongki Ahn , Hong-Il Kim
Polymer-based solid electrolytes (PSEs) are promising candidates for all-solid-state lithium batteries owing to their stability and flexibility. A PSE was prepared via photopolymerization using the crosslinking monomer ethoxylated trimethylolpropane triacrylate (ETPTA) and expanded illite (EI) filler. EI was selected owing to its eco-friendly, low cost, and excellent thermal and mechanical stability. The PSE containing 4 wt% EI exhibited the highest ionic conductivity and superior interfacial compatibility. The Li/LFP cell delivered a discharge capacity of 173.9 mA h g−1 at 0.1C and a Coulombic efficiency of 99%, demonstrating the potential of EI for enhancing PSE performance.
聚合物基固体电解质（pse）由于其稳定性和灵活性而成为全固态锂电池的有希望的候选者。以交联单体乙氧基化三甲基丙烷三丙烯酸酯（ETPTA）和膨胀伊利石（EI）为填料，通过光聚合法制备了PSE。EI因其环保、低成本、优异的热稳定性和机械稳定性而被选中。含有4 wt% EI的PSE表现出最高的离子电导率和良好的界面相容性。Li/LFP电池在0.1C下的放电容量为173.9 mA h g−1，库仑效率为99%，证明了EI在提高PSE性能方面的潜力。
{"title":"Photopolymerized solid electrolytes reinforced with Illite clay for high-performance all-solid-state Lithium metal batteries","authors":"Jaesub Lee , Sunkyung You , Taegyun Kwon , Seongki Ahn , Hong-Il Kim","doi":"10.1016/j.cplett.2025.142609","DOIUrl":"10.1016/j.cplett.2025.142609","url":null,"abstract":"<div><div>Polymer-based solid electrolytes (PSEs) are promising candidates for all-solid-state lithium batteries owing to their stability and flexibility. A PSE was prepared via photopolymerization using the crosslinking monomer ethoxylated trimethylolpropane triacrylate (ETPTA) and expanded illite (EI) filler. EI was selected owing to its eco-friendly, low cost, and excellent thermal and mechanical stability. The PSE containing 4 wt% EI exhibited the highest ionic conductivity and superior interfacial compatibility. The Li/LFP cell delivered a discharge capacity of 173.9 mA h g<sup>−1</sup> at 0.1C and a Coulombic efficiency of 99%, demonstrating the potential of EI for enhancing PSE performance.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142609"},"PeriodicalIF":3.1,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838003","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}
Pub Date : 2025-12-16DOI: 10.1016/j.cplett.2025.142603
E. Vinoth , S. Muthu Mariappan , R. Aysha Parveen , J. Archana , S. Ponnusamy , M. Navaneethan
The high surface area and tunable electronic characteristics of 2D layered tin sulfide (SnS) materials make them promise for gas sensing applications. Here, potassium-intercalated SnS (K-SnS) nanorods prepared for the nitrous oxide (N2O) detection. Rietveld refinement confirms structural changes, and Kelvin probe force microscopy revealed tuning of work function, suggesting a strong K-SnS interaction. Chemi-resistive measurements showed that K-SnS was more sensitive than pristine SnS, which was explained by effective charge transfer. The suggested sensing method shows that K-SnS is a good option for detecting N2O at room temperature.
{"title":"Room temperature ppb detection of nitrous oxide with work function tuned K+ intercalated SnS nanorods","authors":"E. Vinoth , S. Muthu Mariappan , R. Aysha Parveen , J. Archana , S. Ponnusamy , M. Navaneethan","doi":"10.1016/j.cplett.2025.142603","DOIUrl":"10.1016/j.cplett.2025.142603","url":null,"abstract":"<div><div>The high surface area and tunable electronic characteristics of 2D layered tin sulfide (SnS) materials make them promise for gas sensing applications. Here, potassium-intercalated SnS (K-SnS) nanorods prepared for the nitrous oxide (N<sub>2</sub>O) detection. Rietveld refinement confirms structural changes, and Kelvin probe force microscopy revealed tuning of work function, suggesting a strong K-SnS interaction. Chemi-resistive measurements showed that K-SnS was more sensitive than pristine SnS, which was explained by effective charge transfer. The suggested sensing method shows that K-SnS is a good option for detecting N<sub>2</sub>O at room temperature.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142603"},"PeriodicalIF":3.1,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838005","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}
Pub Date : 2025-12-16DOI: 10.1016/j.cplett.2025.142602
Rolf Zeißler , Florian Pabst , Thomas Blochowicz
Molecular dynamics in pure water and aqueous salt solutions remain incompletely understood, partly due to apparent contradictions between results from different spectroscopic techniques. We resolve these apparent contradictions by accounting for orientational cross-correlations of neighboring molecules, through detailed comparison of light scattering and dielectric spectroscopy data for pure water and aqueous lithium chloride solutions. Our results suggest that, in the absence of cross correlation contributions, the spectral shape of structural relaxation is concentration- and temperature-independent, contradicting the common idea that relaxation in such systems is composed of slow hydration- and fast bulk-like water modes.
{"title":"A fresh perspective on water dynamics in aqueous lithium chloride solutions","authors":"Rolf Zeißler , Florian Pabst , Thomas Blochowicz","doi":"10.1016/j.cplett.2025.142602","DOIUrl":"10.1016/j.cplett.2025.142602","url":null,"abstract":"<div><div>Molecular dynamics in pure water and aqueous salt solutions remain incompletely understood, partly due to apparent contradictions between results from different spectroscopic techniques. We resolve these apparent contradictions by accounting for orientational cross-correlations of neighboring molecules, through detailed comparison of light scattering and dielectric spectroscopy data for pure water and aqueous lithium chloride solutions. Our results suggest that, in the absence of cross correlation contributions, the spectral shape of structural relaxation is concentration- and temperature-independent, contradicting the common idea that relaxation in such systems is composed of slow hydration- and fast bulk-like water modes.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"885 ","pages":"Article 142602"},"PeriodicalIF":3.1,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145789209","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}
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