Chemphyschem最新文献_第4页

Recent progress of flexible solid-state supercapacitors: electrodes, electrolytes and practical application. 柔性固态超级电容器的最新进展：电极、电解质和实际应用。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-15 DOI: 10.1002/cphc.202400957

Geng Wei, Ping Chen, Jinyu Wu, Yongfang Liang, Jianghai Li, Haifu Huang, Zhiqiang Lan, Xianqing Liang, Wenzheng Zhou, Peilin Qing, Shaolong Tang

{"title":"Recent progress of flexible solid-state supercapacitors: electrodes, electrolytes and practical application.","authors":"Geng Wei, Ping Chen, Jinyu Wu, Yongfang Liang, Jianghai Li, Haifu Huang, Zhiqiang Lan, Xianqing Liang, Wenzheng Zhou, Peilin Qing, Shaolong Tang","doi":"10.1002/cphc.202400957","DOIUrl":"10.1002/cphc.202400957","url":null,"abstract":"Flexible solid-state supercapacitors (FSSCs) have garnered significant attention due to their advantages, including lightness, adaptability, enhanced safety, and extensive operational potential windows. These features make them highly suitable as energy storage devices for the next generation of portable and flexible electronics. The recent surge in the development and remarkable breakthroughs in novel wearable electronics have further propelled research into FSSCs. Nevertheless, several pressing issues need to be addressed in this field, including synthesizing flexible electrode materials with superior electrochemical energy storage capabilities, enhancing the physicochemical properties of solid gel polymer electrolytes, particularly in extreme environments, and ensuring effective contact between electrodes and gel electrolytes. This paper presents an overview of the latest advancements in FSSCs, focusing on electrode materials and electrolytes. Additionally, it delves into the current challenges and future prospects of FSSCs.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202400957"},"PeriodicalIF":2.3,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142638498","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

DECOMPOSITION MECHANISM OF ALKYLIDENE BRIDGED TETRAZOLES WITH DIFFERENT CARBON CHAIN LENGTHS. 不同碳链长度的亚烷基桥联四唑的分解机理。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-12 DOI: 10.1002/cphc.202400943

Sarika Venugopal, Anuj A Vargeese

{"title":"DECOMPOSITION MECHANISM OF ALKYLIDENE BRIDGED TETRAZOLES WITH DIFFERENT CARBON CHAIN LENGTHS.","authors":"Sarika Venugopal, Anuj A Vargeese","doi":"10.1002/cphc.202400943","DOIUrl":"https://doi.org/10.1002/cphc.202400943","url":null,"abstract":"Nitrogen-rich heterocycles, particularly tetrazole-based high-energy density materials (HEDMs) offer high performance, low sensitivity, and are eco-friendly. Despite the diversity of nitrogen-rich energetic heterocycles, many are sensitive to external stimuli, and the introduction of a methylene, ethylene, or C-C linkage between nitrogen-rich heterocycles is a successful strategy to improve mechanical sensitivity and thermal stability. Understanding the potential anomalous thermal or kinetic behavior of such molecules is crucial for the design of new HEDMs and practical applications of these molecules. We have investigated the influence of introducing an alkylidene bridge between the energetic nitrogen heterocycles on the decomposition mechanism and pathway of different bridged tetrazoles, namely 5,5'-Bis-1H-tetrazole, 1,2-Bis(5-tetrazolo)methane, and 1,2-Bis(5-tetrazolo)ethane, using thermal experiments, mass spectrometry, and computational analysis. Kinetic parameters were evaluated using a non-linear integral method, and decomposition pathways were proposed based on mass fragmentation data. Stability comparisons were made using HOMO-LUMO gap and electrostatic potential (ESP) values from computational calculations.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202400943"},"PeriodicalIF":2.3,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142615464","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

Unravelling the Structure of One-Electron Oxidation Products of Model Peptide Backbones Containing Methionine by IRMPD Spectroscopy: the Effect of the Neighbouring Groups. 利用 IRMPD 光谱揭示含有蛋氨酸的模型肽骨的单电子氧化产物的结构：邻近基团的影响。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-12 DOI: 10.1002/cphc.202400918

Yining Jiang, Carine Clavaguéra, Marc Lecouvey, Chantal Houée-Levin, Jonathan Martens, Giel Berden, Jos Oomens, Debora Scuderi

{"title":"Unravelling the Structure of One-Electron Oxidation Products of Model Peptide Backbones Containing Methionine by IRMPD Spectroscopy: the Effect of the Neighbouring Groups.","authors":"Yining Jiang, Carine Clavaguéra, Marc Lecouvey, Chantal Houée-Levin, Jonathan Martens, Giel Berden, Jos Oomens, Debora Scuderi","doi":"10.1002/cphc.202400918","DOIUrl":"10.1002/cphc.202400918","url":null,"abstract":"A series of Methionine (Met) derivatives, where either the amino group and/or the carboxylic acid group is blocked by acetyl and/or methyl ester functionalities, has been investigated by Collision Induced Dissociation-tandem mass spectrometry (CID-MS2) and Infrared Multiple Photon Dissociation (IRMPD) spectroscopy. The CID-MS2 experiments were performed using a Fourier-transform ion-cyclotron-resonance (FT-ICR) mass spectrometer equipped with an electrospray ionization (ESI) source. The IRMPD spectra were recorded employing a Paul type ion-trap coupled with the free-electron laser (FEL) FELIX in the fingerprint region from 600 to 2000 cm-1. We show that the oxidation of the methionine residue with protected terminal groups induces the formation of a sulfoxide function. However, compared to the IRMPD spectrum of protonated methionine and methionine sulfoxide, significant spectral differences are observed in the spectra of model protected peptide backbones containing methionine. DFT calculations show that protonation occurs on the sulfoxide group in the gas phase for these model peptide backbones containing methionine, shifting the diagnostic signature of the sulfoxide group from 1000 to 862 cm-1.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202400918"},"PeriodicalIF":2.3,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142615470","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

Bonding Interaction Within Concentric Structural Layers in Gold Superatoms. The Concentric Bond. 金超原子同心结构层内的键合相互作用。同心键。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-12 DOI: 10.1002/cphc.202400892

Alvaro Muñoz-Castro

{"title":"Bonding Interaction Within Concentric Structural Layers in Gold Superatoms. The Concentric Bond.","authors":"Alvaro Muñoz-Castro","doi":"10.1002/cphc.202400892","DOIUrl":"10.1002/cphc.202400892","url":null,"abstract":"Ligand-protected gold clusters display a rich structural diversity, featuring remarkable structures such as Au25(SR)18, Au55(PPh3)12Cl6, and CuAu144(SR)60 3+, involving a central core composed of consecutive layers. The respective Au@Au12, Au@Au12@Au42, and Cu@Au12@Au42@Au60 cores with concentric structural layers enable a variable bonding/antibonding character between the electronic shells ascribed to each layer. Here, we rationalize the bonding within concentric structural layers in order to gain a further understanding of the related bonding patterns in such species. The proposed bonding concept differs from the classical situation in adjacent atoms, now being considered between concentric shells and, thus, coined as the concentric bond. From this approach, the bonding/antibonding character of each concentric shell is evaluated, and its contribution to the overall bonding is discussed. The concentric bond enables building a clear picture of the bonding acting in the overall cluster under the superatom concept. Such an approach expands the understanding of multi-layered cluster cores and is useful to further rationalize the bonding situation in metallic nanostructures.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202400892"},"PeriodicalIF":2.3,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142615461","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

3D Printable Polymer Electrolytes for Ionic Conduction based on Protic Ionic Liquids. 基于原生离子液体的用于离子传导的 3D 可打印聚合物电解质。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-10 DOI: 10.1002/cphc.202400849

Alyna Lange, Sajal Arwish, Aurelie Rensonnet, Khalid Elamin, Iqbal Abdurrokhman, Zaneta Wojnarowska, Mark Rosenwinkel, Cedric Malherbe, Monika Schoenhoff, Kerstin Zehbe, Andreas Taubert

引用次数: 0

Parameter Dependency of Electrochemical Reduction of CO2 in Acetonitrile - A Data Driven Approach. 乙腈中二氧化碳的电化学还原参数依赖性--一种数据驱动方法。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-10 DOI: 10.1002/cphc.202400794

Connor Deacon-Price, Aleksandra Mijatović, Huub C J Hoefsloot, Gadi Rothenberg, Amanda C Garcia

引用次数: 0

Electrophoretic Deposition of Carbon-Ionomer Layers on Proton Conducting Membranes. 质子传导膜上碳离子膜层的电泳沉积。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-06 DOI: 10.1002/cphc.202400767

Michael Bredol, Ivan Radev, Giulia Primavera, Thomas Lange, Adib Caidi, Volker Peinecke

引用次数: 0

Exploring Gas Evolution Oscillators: Mechanisms and Applications. 探索气体进化振荡器：机制与应用

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-06 DOI: 10.1002/cphc.202400841

Marcello A Budroni, Mauro Rustici, Federico Rossi

引用次数: 0

Meta-Connected Oligo-Azobenzenes Outperform Their Para Counterparts. 元连接低聚偶氮苯的性能优于其准对等物。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-06 DOI: 10.1002/cphc.202400799

Nils Oberhof, Leon Kambiz Paschai Darian, Andreas Dreuw

引用次数: 0

Metal-Metal Bonding in Tri-Actinide Clusters: A DFT Study of [An₃Cl₆]^z (z=1-6) and [An₃Cl₆Cp₃]^z (z=-2-+3; An=Ac, Th, Pa, U, Np, Pu). 三锕系元素簇中的金属-金属键：An3Cl6] z（z = 1-6）和 [An3Cl6Cp3] z（z = -2- +3；An = Ac、Th、Pa、U、Np、Pu）的 DFT 研究。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-11-05 DOI: 10.1002/cphc.202400816

Josef Tomeček, Stephen T Liddle, Nikolas Kaltsoyannis

{"title":"Metal-Metal Bonding in Tri-Actinide Clusters: A DFT Study of [An3Cl6]z (z=1-6) and [An3Cl6Cp3]z (z=-2-+3; An=Ac, Th, Pa, U, Np, Pu).","authors":"Josef Tomeček, Stephen T Liddle, Nikolas Kaltsoyannis","doi":"10.1002/cphc.202400816","DOIUrl":"10.1002/cphc.202400816","url":null,"abstract":"The actinide-actinide bonding in tri-actinide clusters [An₃Cl₆]z (An=Ac-Pu, z=1-6) and [An₃Cl₆Cp₃]z (z=-2-+3; Cp=(η5-C5H5)) is studied using density functional theory. We find 3-centre bonding similar to the tri-thorium cluster [{Th(η⁸-C₈H₈)(μ₃-Cl)₂}₃{K(THF)₂}₂]∞, as we previously reported (Nature 2021, 598, 72-75). The population of 3-centre molecular orbitals (3c-MOs) by zero, one or two electrons correlates with shortening of the An-An bond lengths, which also decrease with increasing actinide atomic number, consistent with the contraction of the actinide valence atomic orbitals. Mulliken analyses indicate that these 3c-MOs predominantly involve An 6d and 5 f orbitals. Various methods evidence the presence of An-An bonding in most systems with populated 3c-MOs, including bond orders (Mayer and Wiberg), quantum theory of atoms in molecules metrics (ρ, ∇2ρ, -G/V, H, delocalization indices), electron localization function, and electron density assessments. Additionally, we explore the effect of Cp ligand substitution on uranium complexes, finding that bulkier Cp ligands can induce U-U bond distortions and result in slightly longer U-U bonds. Overall, this study advances our understanding of metal-metal bonding in tri-actinide clusters, highlighting its effects on geometric and electronic structures.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202400816"},"PeriodicalIF":2.3,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582303","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