Chemphyschem最新文献_第7页

Polyhalogenated 2,1,3-Benzochalcogenadiazoles: A Small-Molecule Platform for Multicentered Spin–Orbit Coupling Affecting Optical Properties (Chalcogens = S, Se, Te; Halogens = F, Cl, Br, I) 多卤化2,1,3-苯并硫代二唑：影响光学性质的多中心自旋-轨道耦合的小分子平台（卤素= S, Se, Te；卤素= F, Cl, Br， I）。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-07 DOI: 10.1002/cphc.70524

Ekaterina A. Radiush, Taisiya S. Sukhikh, Yulia S. Kosenkova, Ivan S. Golovanov, Elena V. Karpova, Nikolay A. Semenov, Andrey V. Zibarev

{"title":"Polyhalogenated 2,1,3-Benzochalcogenadiazoles: A Small-Molecule Platform for Multicentered Spin–Orbit Coupling Affecting Optical Properties (Chalcogens = S, Se, Te; Halogens = F, Cl, Br, I)","authors":"Ekaterina A. Radiush, Taisiya S. Sukhikh, Yulia S. Kosenkova, Ivan S. Golovanov, Elena V. Karpova, Nikolay A. Semenov, Andrey V. Zibarev","doi":"10.1002/cphc.70524","DOIUrl":"10.1002/cphc.70524","url":null,"abstract":"2,1,3-Benzochalcogenadiazoles and their halogen derivatives (chalcogen = S, Se, Te; halogen = F, Cl, Br, I) are widely employed in organic optoelectronics as chromophoric/fluorophoric electron-acceptor building blocks. In this work they are specified as an advantageous small-molecule platform for multicentered (Se, Te; Cl, Br, I) spin–orbit coupling (SOC) affecting optical properties of π-organics. Electronic absorption and emission/photoluminescence spectra of 4,7-di- and 4,5,6,7-tetrahalogenated 2,1,3-benzochalcogenadiazoles E/X’ and E/X, respectively (E = chalcogen, X = halogen), have been studied in solid-state and THF solutions experimentally and theoretically. It has been found that the nature of E is the key factor controlling the photophysical properties of E/X’ and E/X, such as energy levels, Stokes shifts, and the photoluminescence quantum yields, while X serves for further fine tuning of the properties. Combined E and X variation allows target-oriented design of absorptive and emissive materials for metal-free SOC-controlled optoelectronics and emerging spin–orbitronics.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 15","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148688709","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

Spatially Correlated Flickering of All-Inorganic Perovskite Microrods 全无机钙钛矿微棒的空间相关闪烁。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-06 DOI: 10.1002/cphc.70528

Sasank Pattnaik, Shruti Singh, Arindam Chowdhury

{"title":"Spatially Correlated Flickering of All-Inorganic Perovskite Microrods","authors":"Sasank Pattnaik, Shruti Singh, Arindam Chowdhury","doi":"10.1002/cphc.70528","DOIUrl":"10.1002/cphc.70528","url":null,"abstract":"All-inorganic halide perovskites, especially CsPbBr3 microrods, are often considered to be optically stable and less defect-prone compared to their organometallic counterparts. Nevertheless, reports of photoluminescence (PL) blinking in bulk perovskite systems till date are restricted to organometallic halide perovskite nano-/microrods, leaving it an open question whether similar intermittency behavior can be observed in all-inorganic halide perovskites of comparable dimensions. Intriguingly, we witnessed multilevel PL fluctuations (flickering) in individual green-emitting CsPbBr3 microrods. Wide-field PL microscopy reveals that the intensity fluctuations are nearly identical along the microrod, owing to charge carrier migration and waveguide-assisted propagation. Our measurements on single microrod suggest that the flickering dynamics is strongly influenced by excitation power, excitation energy, and local environmental constituents. Under dry argon environment, a substantial reduction in the PL intensity is observed, indicating the formation of a large number of nonradiative (NR) traps, which quenches all the photogenerated carriers, suppressing overall emission intensity and PL flickering. The exposure of oxygen and moisture passivates these NR traps along with generation of a few photo-induced supertraps. Our findings establish that spatiotemporally correlated intermittency is not limited to organometallic perovskites but extends to all-inorganic perovskite bulk emitters as well, in presence of certain atmospheric constituents.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 15","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148683598","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

Transient Absorption Spectroscopy Probes Ultrafast Excited-State Dynamics in D–π–D Chalcone Derivatives 瞬态吸收光谱探测D-π-D查尔酮衍生物的超快激发态动力学。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-06 DOI: 10.1002/cphc.70527

Suman Dhami, Yogesh Kumar, Panaha, Sumangla Arora, K. R. Justin Thomas, Ravindra Pandey

{"title":"Transient Absorption Spectroscopy Probes Ultrafast Excited-State Dynamics in D–π–D Chalcone Derivatives","authors":"Suman Dhami, Yogesh Kumar,  Panaha, Sumangla Arora, K. R. Justin Thomas, Ravindra Pandey","doi":"10.1002/cphc.70527","DOIUrl":"10.1002/cphc.70527","url":null,"abstract":"Chalcone-based π-conjugated systems have attracted significant attention due to their tunable electronic properties and well-defined structure–property relationships. In this work, we have designed, synthesized, and characterized three D–π–D chalcone derivatives, IITR-9, IITR-10, and IITR-11, by incorporating different electron-donating groups, such as triphenylamine and carbazole, at the periphery of the chalcone backbone. The excited state dynamics of these molecules were investigated using femtosecond transient absorption spectroscopy (TAS). It was found that IITR-9, IITR-10, and IITR-11 exhibit an intramolecular charge-transfer (ICT) state, consistent with the solvatochromic behavior and theoretical calculations. TAS results demonstrate that the symmetric derivatives, IITR-9 and IITR-10, which have the same donor group on both sides of the chalcone framework, exhibit a long-lived excited-state absorption band that persists beyond the experimental time window of ~8 ns, suggesting triplet-state formation. However, the asymmetric derivative IITR-11, which consists of electron-donating groups of different strengths, exhibits radiative relaxation from the ICT state with a timescale of 3.0 ± 0.2 ns. These findings demonstrate that the nature of the electron-donating group critically governs the excited-state pathways in chalcone derivatives, including CT and triplet state formation, highlighting its potential for designing optoelectronic applications.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 15","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148683551","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

Interfacial Stabilization of Li1.3Al0.3Ti1.7(PO4)3 Solid Electrolytes Enabled by a Sulfone-Based Crystalline Organic Interlayer 砜基晶体有机中间层对Li1.3Al0.3Ti1.7(PO4)3固体电解质界面稳定性的影响

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-06 DOI: 10.1002/cphc.70531

Songyi Han, Lei Zhu, Muran Yu, Weiping Tang, Junchao Chen

{"title":"Interfacial Stabilization of Li1.3Al0.3Ti1.7(PO4)3 Solid Electrolytes Enabled by a Sulfone-Based Crystalline Organic Interlayer","authors":"Songyi Han, Lei Zhu, Muran Yu, Weiping Tang, Junchao Chen","doi":"10.1002/cphc.70531","DOIUrl":"10.1002/cphc.70531","url":null,"abstract":"NASICON-structured Li1.3Al0.3Ti1.7(PO4)3 (LATP) solid electrolyte (SE) exhibits satisfactory ionic conductivity and robust mechanical strength, but it suffers from interfacial instability against lithium metal anodes due to Ti4+ reduction, which limits its application in solid-state lithium metal batteries (SSLMBs). Herein, we developed a sulfone-based crystalline organic interlayer (COI) composed of dimethyl sulfone and lithium bis(trifluoromethanesulfonyl)imide at an optimized molar ratio of 8:2, and applied it to LATP pellet surfaces via a melt-casting process. The standalone COI exhibits a room-temperature ionic conductivity of 0.67 mS cm−1. The resulting LATP@COI composite shows an ionic conductivity of 0.78 mS cm−1 and a critical current density of 1.5 mA cm−2. Li|LATP@COI|Li symmetric cells deliver stable cycling for over 700 h at 0.1 mA cm−2. Full cells using LiFePO4 and LiNi0.5Co0.2Mn0.3O2 cathode with the lithium metal anode retain 93.1% and 92.3% of their initial capacities after 200 cycles, respectively, while maintaining excellent rate capability up to 2 C and operable discharge down to −40 °C. This COI provides a practical interfacial-engineering strategy to overcome the intrinsic limitations of LATP SEs for SSLMBs.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 15","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148683569","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

Photochemical Reaction Mechanism of Phosphapropyne to Ethynylphosphinidene via Sequential Hydrogen Atom Transfers and Dehydrogenation 磷酸丙烯顺序氢原子转移和脱氢制乙基膦烯的光化学反应机理。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-05 DOI: 10.1002/cphc.70526

Di Mu, Quan-Song Li

{"title":"Photochemical Reaction Mechanism of Phosphapropyne to Ethynylphosphinidene via Sequential Hydrogen Atom Transfers and Dehydrogenation","authors":"Di Mu, Quan-Song Li","doi":"10.1002/cphc.70526","DOIUrl":"10.1002/cphc.70526","url":null,"abstract":"Phosphinidenes are transient species that have contributed significantly to synthetic chemistry, coordination chemistry, and astrochemistry. Herein, the multistate complete active space second-order perturbation theory (MS-CASPT2) method has been employed to investigate the photochemical generation of ethynylphosphinidene (HCCP) from phosphapropyne (CH3CP). Our results show that upon photoexcitation, CH3CP undergoes sequential hydrogen atom transfers along the C─C─P backbone to form ethynylphosphine (CHCPH2), a reaction that proceeds sequentially through the 1-phosphaallene (CH2CPH) and 1H-phosphirene (cyc-HCC(H)PH) isomers and ultimately yields HCCP and H2 via dehydrogenation. Moreover, the studied photoinduced processes are kinetically accessible, with the highest energy barrier being only 0.56 eV, which can be overcome by the sufficient energy of the 254 nm excitation light. Importantly, our calculations have located several key intersection points between S1 and S0 states or between S0 and T1 states, which are involved and facilitated this photochemical process. These theoretical results not only elucidate the experimental observations (Lawzer et al., Angewandte Chemie International Edition 60 (2021): 6400–6402) but also provide a framework for advancing the mechanistic understanding of phosphorus photochemistry and elucidating the formation pathways of interstellar phosphorus-containing molecules.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 15","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148676742","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

Contribution of One-Electron Oxidation of Purine and Pyrimidine Bases to the Photo- and Radiation-Induced Damage to Cellular DNA 嘌呤和嘧啶碱基的单电子氧化对光和辐射诱导的细胞DNA损伤的贡献。

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-08-04 DOI: 10.1002/cphc.70457

Jean Cadet, Dimitar Angelov, Paolo DI Mascio, J. Richard Wagner

{"title":"Contribution of One-Electron Oxidation of Purine and Pyrimidine Bases to the Photo- and Radiation-Induced Damage to Cellular DNA","authors":"Jean Cadet, Dimitar Angelov, Paolo DI Mascio, J. Richard Wagner","doi":"10.1002/cphc.70457","DOIUrl":"10.1002/cphc.70457","url":null,"abstract":"One-electron oxidants that include type I photosensitizers, biologically relevant carbonate anion radical generators, and high intensity UVC nanosecond lasers are able to ionize in aqueous solution purine and pyrimidine nucleobases. The survey is aimed at critically reviewing the available information on the fate of initially generated base radical cations that essentially involve deprotonation and nucleophilic addition reactions. Accumulated evidence leads to the conclusion that one-electron oxidation reactions of nucleobases partly mimic the oxidizing features of hydroxyl radical, the main biologically relevant oxidant, in terms of formed degradation products. In contrast to the relatively nonspecific attack of hydroxyl radicals, guanine sites are the main targets of one-electron oxidation. This may be rationalized by efficient redistribution of base radical cations through charge transfer along double-stranded DNA with preferential final product formation at guanines, as illustrated by the overwhelming formation of 8-oxo-7,8-dihydroguanine. Interestingly, a similar observation was made for cellular DNA; thus, providing strong support for the occurrence of hole migration in model DNA substrates as well as in cells. The specific distribution of DNA degradation products displayed by one-electron oxidants was used to provide further support for the modest role of direct effects of ionizing radiation in the oxidative degradation of cellular DNA.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 15","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13437257/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148676605","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

Strategies Enhancing the Efficiency of CoFe-Based Electrocatalysts for Oxygen Evolution Reaction in Alkaline 提高碱性条件下钴基析氧反应电催化剂效率的策略

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-07-31 DOI: 10.1002/cphc.70510

Jinpeng Fan, Yunshuo Wang, Liping Ren, Xin Chen, Qi Wang, Keyan Liu, Jinjia Wei, Shaohua Shen, Jie Chen

{"title":"Strategies Enhancing the Efficiency of CoFe-Based Electrocatalysts for Oxygen Evolution Reaction in Alkaline","authors":"Jinpeng Fan, Yunshuo Wang, Liping Ren, Xin Chen, Qi Wang, Keyan Liu, Jinjia Wei, Shaohua Shen, Jie Chen","doi":"10.1002/cphc.70510","DOIUrl":"https://doi.org/10.1002/cphc.70510","url":null,"abstract":"The oxygen evolution reaction (OER), a critical process in energy conversion and storage technologies, necessitates highly efficient electrocatalysts to address its inherently sluggish kinetics. In recent years, cobalt–iron (CoFe) composites have emerged as promising candidates for OER in alkaline due to their low cost, abundant reserves, and exceptional catalytic performance. These attributes have driven advancements in the design and development of sophisticated nanostructures such as nanoarrays and core–shell structures. This review focuses on the latest progress in CoFe-based electrocatalysts including alloys, oxides, hydroxides, nitrides, phosphides, and sulfides, with a particular focus on the modification strategies and synthetic methods of diverse CoFe-based electrocatalysts. In particular, the role and mechanisms of the external physical fields used to enhance the OER performance are discussed. At last, the current challenges and future research directions for efficient CoFe-based electrocatalysts are also presented. This review aims to provide theoretical foundations and technical insights for the rational design and broader applications of high-performance CoFe-based electrocatalysts.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 15","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148647887","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

2D Transition Metal Carbo-Chalcogenides: An Emerging Family of Layered Materials 二维过渡金属碳-硫族化合物：一种新兴的层状材料

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-07-31 DOI: 10.1002/cphc.202500895

Yu Wang, Mian Li, Xiaoping Ouyang, Zhifang Chai, Qing Huang

引用次数: 0

Role of Work Function and Potential of Zero Charge on Wetting of Metals 零电荷势和功函数在金属润湿过程中的作用

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-07-31 DOI: 10.1002/cphc.70521

Kritika Mahajan, Rama Kant

{"title":"Role of Work Function and Potential of Zero Charge on Wetting of Metals","authors":"Kritika Mahajan, Rama Kant","doi":"10.1002/cphc.70521","DOIUrl":"https://doi.org/10.1002/cphc.70521","url":null,"abstract":"We develop a theory for the maximum (Young’s) contact angle of wetting (<math></math>) for metals based on the electrochemical work function (E-WF) and interfacial interactions at the droplet surface. In our theory, <math></math> is the difference of spreading quotient (<math></math>) of metal and retraction quotient (<math></math>) of liquid. The spreading quotient, <math></math> (<1), is ratio of E-WF of wet to WF of dry metal and is a measure of spreading tendency and dipolar orientational disorder. The retraction quotient, <math></math> (<1), is ratio of molecular interfacial interaction energy to the cohesion energy of the liquid, which is a measure of the retraction of drop. The resistance to wetting is governed by the intrinsic electric-field-induced dipolar orientational order on the metal, charge reorganization, interlayer dipole–dipole interactions, and surface tension. An increase in E-WF and a consequent positive shift in PZC also promotes dewetting. The hydrophilic nature of the clean metal surfaces shown as <math></math>. Theoretical predictions are in agreement with the experimental and MD simulation data.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 15","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148647889","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

Effect of Solvent Hydrogen-Bonding and Catalyst Pore Size on Catalytic Oxidation of Benzylic Alcohols 溶剂氢键和催化剂孔径对苯甲醇催化氧化的影响

IF 2.4 3区化学

Chemphyschem Pub Date : 2026-07-31 DOI: 10.1002/cphc.70471

Dian Jing, Justin M. Notestein

{"title":"Effect of Solvent Hydrogen-Bonding and Catalyst Pore Size on Catalytic Oxidation of Benzylic Alcohols","authors":"Dian Jing, Justin M. Notestein","doi":"10.1002/cphc.70471","DOIUrl":"https://doi.org/10.1002/cphc.70471","url":null,"abstract":"Control over selective oxidation rates remain a key challenge in industrial chemicals production. Here, we demonstrate how liquid phase alcohol oxidation is a complex interplay among solvent, reactant, catalyst porosity, and local active site environment. Specifically, we study the impact of sulfolane versus acetonitrile solvents on rates of catalytic oxidation of benzylic alcohols to the corresponding ketone using hydrogen peroxide (H2O2) over Ti-based heterogeneous catalysts of different local steric environments. The polar, H-bonding sulfolane enhances the reaction rate in wide pore materials, presumably by promoting hydrogen transfer steps. However, in sulfolane, the reaction rate also decreases as the local environment around the Ti active site becomes more sterically congested, either by decreasing catalyst pore size or by increasing reactant bulk. This is assigned to an effect of the bulky hydrogen-bonding complex formed between reactant alcohol and sulfolane that introduces transport limitations. Finally, large-pore Ti–SiO2 catalysts modified with additional SiO2 near the active sites were able to further tune reaction rates in these two solvents by a combination of effects induced in the immediate pore environment. Better understanding of size- and solvent-dependent transport and kinetic effects should allow for improved control over the rate of selective oxidation reactions.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":"27 15","pages":""},"PeriodicalIF":2.4,"publicationDate":"2026-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.70471","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148617379","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