Chinese Chemical Letters最新文献_第2页

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-02-01 DOI: 10.1016/S1001-8417(24)01206-3

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DFT calculation for organic semiconductor-based gas sensors: Sensing mechanism, dynamic response and sensing materials 基于有机半导体的气体传感器的 DFT 计算：传感机理、动态响应和传感材料

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-01-28 DOI: 10.1016/j.cclet.2025.110906

Zhongchao Zhou , Jian Song , Yinghao Xie , Yuqian Ma , Hong Hu , Hui Li , Lei Zhang , Charles H. Lawrie

{"title":"DFT calculation for organic semiconductor-based gas sensors: Sensing mechanism, dynamic response and sensing materials","authors":"Zhongchao Zhou , Jian Song , Yinghao Xie , Yuqian Ma , Hong Hu , Hui Li , Lei Zhang , Charles H. Lawrie","doi":"10.1016/j.cclet.2025.110906","DOIUrl":"10.1016/j.cclet.2025.110906","url":null,"abstract":"<div><div>Organic semiconductor materials have demonstrated extensive potential in the field of gas sensors due to the advantages including designable chemical structure, tunable physical and chemical properties. Through density functional theory (DFT) calculations, researchers can investigate gas sensing mechanisms, optimize, and predict the electronic structures and response characteristics of these materials, and thereby identify candidate materials with promising gas sensing applications for targeted design. This review concentrates on three primary applications of DFT technology in the realm of organic semiconductor-based gas sensors: (1) Investigating the sensing mechanisms by analyzing the interactions between gas molecules and sensing materials through DFT, (2) simulating the dynamic responses of gas molecules, which involves the behavior on the sensing interface using DFT combined with other computational methods to explore adsorption and diffusion processes, and (3) exploring and designing sensitive materials by employing DFT for screening and predicting chemical structures, thereby developing new sensing materials with exceptional performance. Furthermore, this review examines current research outcomes and anticipates the extensive application prospects of DFT technology in the domain of organic semiconductor-based gas sensors. These efforts are expected to provide valuable insights for further in-depth exploration of DFT applications in sensor technology, thereby fostering significant advancements and innovations in the field.</div></div>","PeriodicalId":10088,"journal":{"name":"Chinese Chemical Letters","volume":"36 6","pages":"Article 110906"},"PeriodicalIF":9.4,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143704150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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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Enhanced durability of a novel thiol-epoxy network thermosets with excellent hygrothermal and chemical resistance 提高新型硫醇-环氧网络热固性塑料的耐久性，使其具有优异的耐湿热性和耐化学性

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-01-27 DOI: 10.1016/j.cclet.2025.110905

Chunshi He , Linqing Li , Yuanrong Sun , Xuefang Wang , Jie Ren , Jianbo Li

{"title":"Enhanced durability of a novel thiol-epoxy network thermosets with excellent hygrothermal and chemical resistance","authors":"Chunshi He , Linqing Li , Yuanrong Sun , Xuefang Wang , Jie Ren , Jianbo Li","doi":"10.1016/j.cclet.2025.110905","DOIUrl":"10.1016/j.cclet.2025.110905","url":null,"abstract":"<div><div>Epoxy resin is widely used in electronic packaging due to its exceptional performance, particularly the low-temperature curable thiol/epoxy system, which effectively minimizes thermal damage to sensitive electronic components. However, the majority of commercial thiol curing agents contain hydrolysable ester bonds and lack rigid structures, which induces most of thiol/epoxy systems still suffering from unsatisfactory heat resistance and hygrothermal resistance, significantly hindering their application in electronic packaging. In this study, we synthesized a tetrafunctional thiol compound, bis[3-(3-sulfanylpropyl)-4-(3-sulfanylpropoxy)phenyl]sulfone (TMBPS) with rigid and ester-free structures to replace traditional commercial thiol curing agents, pentaerythritol tetra(3-mercaptopropionate) (PETMP). Compared to the PETMP/epoxy system, the TMBPS/epoxy system exhibited superior comprehensive properties. The rigid structures of bisphenol S-type tetrathiol enhanced the heat resistance and mechanical properties of TMBPS/epoxy resin cured products, outperforming those of PETMP/epoxy resin cured products. Notably, the glass transition temperature of TMBPS/epoxy resin cured products was 74.2 °C which was 11.8 °C higher than that of PETMP cured products. Moreover, the ester-free structure in TMBPS contributed to its enhanced resistance to chemicals and hygrothermal conditions. After undergoing 1000 h of high-temperature and high-humidity aging, the tensile strength and adhesion strength of TMBPS-cured products were 73.33 MPa and 3.39 MPa, respectively exceeding 100% and 40% of their initial values, while PETMP-cured products exhibited a complete loss of both tensile strength and adhesion strength. This study provides a strategy for obtaining thermosetting polymers that can be cured at low temperatures and exhibit excellent comprehensive properties.</div></div>","PeriodicalId":10088,"journal":{"name":"Chinese Chemical Letters","volume":"36 6","pages":"Article 110905"},"PeriodicalIF":9.4,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143704151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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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Iron-catalyzed CH activation: A sustainable approach to efficient organic synthesis

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-01-20 DOI: 10.1016/j.cclet.2025.110869

Qiao Song , Xue Peng , Zhouyu Wang , Leyong Wang

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Optimizing CsPbBr3 perovskite solar cell interface and performance through tetraphenylethene derivatives

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-01-09 DOI: 10.1016/j.cclet.2025.110838

Sheng Tang , Mingyue Liao , Weihai Sun , Jihuai Wu , Jiamin Lu , Yiming Xie

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Microenvironment regulation of copper sites by chelating hydrophobic polymer for electrosynthesis of ethylene 通过螯合疏水聚合物调节用于乙烯电合成的铜位点微环境

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-01-09 DOI: 10.1016/j.cclet.2025.110836

Lei Zhang , Chenyang Kou , Kun Ni , Yiwen Chen , Tongchuan Zhang , Baoliang Zhang

{"title":"Microenvironment regulation of copper sites by chelating hydrophobic polymer for electrosynthesis of ethylene","authors":"Lei Zhang , Chenyang Kou , Kun Ni , Yiwen Chen , Tongchuan Zhang , Baoliang Zhang","doi":"10.1016/j.cclet.2025.110836","DOIUrl":"10.1016/j.cclet.2025.110836","url":null,"abstract":"<div><div>Molecular catalysts can effectively steer the electrocatalytic acetylene semihydrogenation into ethylene, but realizing high Faradaic efficiency (FE) at industrial current densities remains a challenge. Herein, we report a ligand engineering strategy that utilizes polymeric <em>N</em>‑heterocyclic carbene (NHC) as a hydrophobic ligand to modulate the microenvironment of Cu sites. This polymeric NHC imparts appropriate hydrophobic properties for the chelated Cu sites, thereby moderating the H<sub>2</sub>O transport and enabling easy access of acetylene. Consequently, the polymeric NHC chelated Cu exhibits an FE<sub>ethylene</sub> of ∼97% at a current density of 500 mA/cm<sup>2</sup> in a flow cell. Particularly in a zero-gap reactor, the FE<sub>ethylene</sub> consistently exceeds 86% across current densities from 100 mA/cm<sup>2</sup> to 400 mA/cm<sup>2</sup>, reaching an optimal FE<sub>ethylene</sub> of 98% at 200 mA/cm<sup>2</sup> and achieving durable operation for 155 h at 100 mA/cm<sup>2</sup>. This work provides a promising paradigm to regulate the microenvironment of molecular catalysts for improving electrocatalytic performances under industrial current densities.</div></div>","PeriodicalId":10088,"journal":{"name":"Chinese Chemical Letters","volume":"36 6","pages":"Article 110836"},"PeriodicalIF":9.4,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143704211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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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Corrigendum to “A concise formal stereoselective total synthesis of (–)-swainsonine” [Chin Chem Lett 25 (2014) 193–196]

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-01-03 DOI: 10.1016/j.cclet.2024.110597

Xiao-Gang Wang , Ai-E Wang , Pei-Qiang Huang

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Dual-functionality composites of polyaniline-coated oxidized carbon nanohorns: Efficient wave absorption and enhanced corrosion resistance

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-01-03 DOI: 10.1016/j.cclet.2025.110818

Haiyang Peng , Zhipeng Xie , Shuiqing Lu , Da Zhang , Bin Yang , Feng Liang

{"title":"Dual-functionality composites of polyaniline-coated oxidized carbon nanohorns: Efficient wave absorption and enhanced corrosion resistance","authors":"Haiyang Peng , Zhipeng Xie , Shuiqing Lu , Da Zhang , Bin Yang , Feng Liang","doi":"10.1016/j.cclet.2025.110818","DOIUrl":"10.1016/j.cclet.2025.110818","url":null,"abstract":"<div><div>Electromagnetic wave-absorbing materials (EWAMs) are susceptible to failure in complex chemical environments. It is urgent to develop composites with high-efficiency electromagnetic wave (EMW) absorption and strong corrosion resistance. In the work, polyaniline (PANI) is <em>in-situ</em> polymerized on the surface of oxidized carbon nanohorns (ox-CNHs) to create a core-shell composite of ox-CNHs@PANI. By adjusting the thickness of the PANI shell and effectively regulating the electromagnetic parameters of the composite material, excellent impedance matching and efficient EMW absorption are achieved. At a thickness of 2.22 mm, the composite exhibits a reflection loss peak (<em>RL</em><sub>min</sub>) and a maximum effective absorption broadband (<em>EAB</em>) of −66.7 dB and 5.68 GHz, respectively. Additionally, the dense PANI shell effectively prevents contact between the corrosive medium and ox-CNHs, which significantly reduces the possibility of corrosion. Due to the formation of the ox-CNHs/PANI interface, the ox-CNHs@PANI composite exhibits strong corrosion resistance under acidic, alkaline, and neutral conditions. The ox-CNHs@PANI composite exhibits excellent EMW absorption and strong corrosion resistance, offering a new approach to developing advanced bifunctional materials.</div></div>","PeriodicalId":10088,"journal":{"name":"Chinese Chemical Letters","volume":"36 6","pages":"Article 110818"},"PeriodicalIF":9.4,"publicationDate":"2025-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143704212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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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Asymmetrical carbazole-benzonitrile-based TADF emitters designed by alternate donor-acceptor strategy

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-01-02 DOI: 10.1016/j.cclet.2025.110817

Zhaoyue Lü , Tiantian Chai , Yichao Jin , Xiao Wang , Ye Zou , Lijiang Zhang , Jiankang Feng , Mengtong Zhang , Shuo Wang , Chichong Lu , Guofan Jin

{"title":"Asymmetrical carbazole-benzonitrile-based TADF emitters designed by alternate donor-acceptor strategy","authors":"Zhaoyue Lü , Tiantian Chai , Yichao Jin , Xiao Wang , Ye Zou , Lijiang Zhang , Jiankang Feng , Mengtong Zhang , Shuo Wang , Chichong Lu , Guofan Jin","doi":"10.1016/j.cclet.2025.110817","DOIUrl":"10.1016/j.cclet.2025.110817","url":null,"abstract":"<div><div>A pair of asymmetric rigid carbazole-benzonitrile-based emitters were synthesized by strategically alternating donor and acceptor groups along the molecular edges. The spin-flip process is accelerated by both the formation of localized and delocalized charge transfer states due to linearly positioned donors and strong spin-orbital coupling between different excitation feature of the lowest singlet and triplet excited states. This molecular architecture results in a remarkable short delayed lifespan of around 100 ns. The application of the two emitters in organic light-emitting diodes (OLEDs) achieves the highest external quantum efficiencies of 13.0 % for the green emitter and 9.1 % for the sky-blue emitter. Impressively, these devices maintain their high efficiency even at high luminance levels. The sustained efficiency is ascribed to the effective suppression of exciton quenching by substantially shortening delayed lifespan. These findings underscore the practical utility of the molecular design strategy that incorporates alternate donor and acceptor groups at the molecular periphery for shortening delayed fluorescence lifetime, and hold great promise for the development of high-performance OLEDs.</div></div>","PeriodicalId":10088,"journal":{"name":"Chinese Chemical Letters","volume":"36 6","pages":"Article 110817"},"PeriodicalIF":9.4,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143704213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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

Decouple the intermolecular interaction by encapsulating an insulating sheath

IF 9.4 1区化学

Chinese Chemical Letters Pub Date : 2025-01-02 DOI: 10.1016/j.cclet.2025.110816

Saisai Yuan , Yiming Chen , Xijuan Wang , Degui Zhao , Tengyang Gao , Caiyun Wei , Chuanxiang Chen , Yang Yang , Wenjing Hong

{"title":"Decouple the intermolecular interaction by encapsulating an insulating sheath","authors":"Saisai Yuan , Yiming Chen , Xijuan Wang , Degui Zhao , Tengyang Gao , Caiyun Wei , Chuanxiang Chen , Yang Yang , Wenjing Hong","doi":"10.1016/j.cclet.2025.110816","DOIUrl":"10.1016/j.cclet.2025.110816","url":null,"abstract":"<div><div>Single-molecule junctions are building blocks for constructing molecular devices. However, intermolecular interactions like winding bring additional interference among the surrounding molecules, which inhibits the intrinsic coherent transport through single-molecule junctions. Here, we employed a nanocavity (dimethoxypillar [5] arene, DMP[5]), which is analogous to electric cables, to confine the conformation of flexible chains (1,8-diaminooctane, DAO) <em>via</em> host-guest interaction. Single-molecule conductance measurements indicate that the conductance of DAO encapsulated with DMP[5] is as high as that of pure DAO, as reproduced by theoretical simulations. Intriguingly, the molecular lengths of the DAO encapsulated with DMP[5] increase from 1.13 nm to 1.46 nm compared with the pure DAO, indicating that DMP[5] keeps DAO upright-standing <em>via</em> the confinement effect. This work provides a new strategy to decouple the intermolecular interaction by employing an insulating sheath, enabling the high-density integration of single-molecule devices.</div></div>","PeriodicalId":10088,"journal":{"name":"Chinese Chemical Letters","volume":"36 6","pages":"Article 110816"},"PeriodicalIF":9.4,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143704214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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