Canadian Journal of Chemistry最新文献_第4页

Teaching FAIR in computational chemistry: managing and publishing data using the twin tools of compute portals and repositories 计算化学教学公平:使用计算门户和存储库的双重工具管理和发布数据

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-06-14 DOI: 10.1139/cjc-2022-0255

H. Rzepa

引用次数: 0

Development of carbon materials for sulfur cathodes in inorganic-based solid-state lithium sulfur batteries 无机基固态锂硫电池硫阴极碳材料的研究

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-06-12 DOI: 10.1139/cjc-2023-0012

Zhaoqing Yang, Qihang Yu, Anna Thinphang-nga, Xia Li

{"title":"Development of carbon materials for sulfur cathodes in inorganic-based solid-state lithium sulfur batteries","authors":"Zhaoqing Yang, Qihang Yu, Anna Thinphang-nga, Xia Li","doi":"10.1139/cjc-2023-0012","DOIUrl":"https://doi.org/10.1139/cjc-2023-0012","url":null,"abstract":"Inorganic-based solid-state lithium-sulfur batteries (SSLSBs) with high energy density and high safety have attracted wide attention as they are one of the most promising energy storage devices to meet future market requirements. However, the development of SSLSBs faces various challenges due to the unreasonable structural design in sulfur cathodes. Carbon is one of the indispensable components in sulfur cathodes. The rational design of carbon materials becomes an important strategy to address the challenges in sulfur cathodes. This review summarizes recent literature about the design and application of carbon materials for sulfur cathodes in inorganic-based SSLSBs. It starts with the introduction of different carbon materials from zero-dimensional (0D) to three-dimensional (3D) carbon materials. Particularly, this review paper highlights the structural design of carbon materials and the cathode fabrication methods, toward improving the conductivity of cathodes, buffering volume changes in cathodes, reducing interfacial resistance among cathode components, and increasing the mass loading of active materials. Finally, the existing challenges and promising solutions for carbon materials in the cathodes are discussed and proposed.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"12 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73155133","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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: 1

Preparation of HMX@NPBAs microparticles by coating process with improved mechanical properties, thermal stability and safety performance 采用包覆法制备的HMX@NPBAs微颗粒具有较好的力学性能、热稳定性和安全性能

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-06-12 DOI: 10.1139/cjc-2022-0279

Kanghui Jia, Peng Wu, Wu-li Qin, Yan-wu Yu, Suming Jing, Gui-min Cheng, Yu-cun Liu

{"title":"Preparation of HMX@NPBAs microparticles by coating process with improved mechanical properties, thermal stability and safety performance","authors":"Kanghui Jia, Peng Wu, Wu-li Qin, Yan-wu Yu, Suming Jing, Gui-min Cheng, Yu-cun Liu","doi":"10.1139/cjc-2022-0279","DOIUrl":"https://doi.org/10.1139/cjc-2022-0279","url":null,"abstract":"Polymer-bonded explosives (PBXs) played a critical role in lethality and destruction as a vital military explosive in the world. Unfortunately, the current PBXs exhibit poor properties in safety performance and reliability for the weak interfacial surface, which cannot meet requirements of the high security and high reliability of weapons and ammunition in the harsh environment of modern battlefields. Herein, the neutral polymeric bonding agents (NPBAs) were successfully coated in the surface of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX) and proved to enhance the mechanical performance and reliability of PBXs. The SEM images indicated a slight aggregation of NPBAs coated in the HMX surface, the XRD spectra of HMX@NPBAs had an analogous spectrum of HMX, and the XPS spectrum confirmed that the NPBAs played a role on the surface of HMX by coating. Furthermore, the HMX coated with NPBAs had more excellent safety performance, thermal stability and mechanical properties. The strategy is helpful to strengthen the interaction between HMX and binder matrix, which provides a brilliant idea in modifying for the weak interfacial surface of energetic crystals.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"8 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87169490","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 a cobalt (II) and 1,10-phenanthroline carboxaldehyde-based fluorescent probe for the detection of cysteine 基于钴(II)和1,10-菲罗啉羧醛的半胱氨酸荧光探针的研制

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-06-08 DOI: 10.1139/cjc-2023-0009

Haoshun Zhang, Peiyu Lan, Qinnan Yang, Ciling Li, Liting Zhao, Xinhuang Kang, Yubin Li

引用次数: 0

A note on the use of rhombus silicate networks and rhombus oxide networks 关于菱形硅酸盐网和菱形氧化物网的使用说明

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-06-05 DOI: 10.1139/cjc-2022-0300

W. Quapp

引用次数: 0

Activation of an alkyne: the preparation, structure, and reactivity of an acetylenic amidinium ion derived from an N-heterocyclic carbene 炔的活化:由n -杂环碳烯衍生的乙炔酰胺离子的制备、结构和反应性

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-05-25 DOI: 10.1139/cjc-2023-0032

Matthew J. J. Laprade, K. Robertson, J. Clyburne

引用次数: 0

Crudden culture Crudden文化

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-05-24 DOI: 10.1139/cjc-2023-0023

S. MacQuarrie, C. Smith, M. Bruce

引用次数: 0

Dodecyltrimethylammonium bromide-styrene microemulsion dielectric investigation in aqueous media 水介质中十二烷基三甲基溴化铵-苯乙烯微乳液介电特性的研究

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-05-23 DOI: 10.1139/cjc-2022-0262

N. Rohman, T. Mohiuddin, Imran Khan

{"title":"Dodecyltrimethylammonium bromide-styrene microemulsion dielectric investigation in aqueous media","authors":"N. Rohman, T. Mohiuddin, Imran Khan","doi":"10.1139/cjc-2022-0262","DOIUrl":"https://doi.org/10.1139/cjc-2022-0262","url":null,"abstract":"In this paper, we report the complex permittivity of aqueous microemulsions of N-dodecyltrimethylammonium bromide and styrene. The studies were carried out at 298.15 K while varying the styrene to surfactant concentration ratio, S0 (0.16 ≤ So ≤ 0.71) and the surfactant concentration, c (0.1032 ≤c (mol•dm-3 ) ≤ 0.7806). The frequencies ranged from 100 MHz to 89 GHz. An analysis of a particular solution is conducted over the temperature range of 278.15 to 328.15K in order to calculate the energy of the activation parameters. At 298.15 K, the spectra are fitted to a total of five Debye processes for concentration dependency series and three Debye processes for temperature dependence series. Br- surface and bulk diffusion surrounding the micelles best describes the two low frequency dispersions, at 100 MHz and 0.8 GHz, respectively. These mechanisms were examined using Grosse theory. The Maxwell-Wagner relaxation process is equivalent to high frequency micelle dispersion at 0.8 GHz. The thickness of the conducting shell of the micelle is determined by using the electrical conductivity of the particles and parameters taken from the Grosse theory, and the results are comparable to those from an examination of the Pauly and Schwan model. The Grosse model and solvent dispersion analysis were used to calculate the volume fractions of micelles. Both approaches were in agreement. The surfactant head group non-rotationally hydrates almost ~7±1 water molecules. Styrene addition allows for the non-rotationally bound accommodation of an additional ~7±1 water molecules.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"86 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80875857","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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

Massively parallel fragment-based quantum chemistry for large molecular systems: the serestipy software 大分子系统的大规模并行片段量子化学:灵敏度软件

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-05-18 DOI: 10.1139/cjc-2022-0243

P. Eschenbach, Niklas Niemeyer, J. Neugebauer

引用次数: 0

Dopamine delivery systems based on C60 and C24 with B and N as substituents 以B和N为取代基的C60和C24为基础的多巴胺传递系统

IF 1.1 4区化学

Canadian Journal of Chemistry Pub Date : 2023-05-17 DOI: 10.1139/cjc-2022-0234

Ana Martínez

{"title":"Dopamine delivery systems based on C60 and C24 with B and N as substituents","authors":"Ana Martínez","doi":"10.1139/cjc-2022-0234","DOIUrl":"https://doi.org/10.1139/cjc-2022-0234","url":null,"abstract":"Two different options as potential dopamine delivery systems were investigated in this study: fullerene C60- and C24-like structures. The systems being investigated include C60, C59X, C58X2, C24, C23X, and C22X2 (X represents B or N). Electron donor acceptor capacity and interaction energies were reported. Systems with one B are better electron acceptors than those with one N. The interaction of compounds containing B with dopamine is more favorable than the interaction of systems containing N. For a dopamine delivery system, at least two conditions are necessary. The first is the stability of the carrier-dopamine compound. This condition is fulfilled because C60-based heterofullerenes with B and dopamine form stable structures. Also, dopamine with C24-based structures containing B or N form stable structures. The second is that the interaction energy should be lower than the energy that binds dopamine to the receptor. Systems that fulfill the second condition include C60 and C58B2. The other systems present interaction energies that exceed 40 kcal/mol. Dopamine will bond to these systems and will most probably not be delivered at the receptor site, but these systems that interact strongly with dopamine may serve as agonists because they are good electron donors like dopamine. Systems with B could be antagonists of dopamine since they are good electron acceptors. This idea might be interesting to explore through experiments because heterofullerenes with B and dopamine might serve as antipsychotics rather than dopamine delivery systems.","PeriodicalId":9420,"journal":{"name":"Canadian Journal of Chemistry","volume":"21 1","pages":""},"PeriodicalIF":1.1,"publicationDate":"2023-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87272302","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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