Chemphyschem最新文献_第8页

Benzofuroxans: A Possible +100 Years Old Misunderstanding? 苯并呋喃可能存在 100 多年的误解？

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-28 DOI: 10.1002/cphc.202400831

Irina V Galkina, Dmitriy I Bakhtiyarov, Semen R Romanov, Luiza M Usupova, Yulia V Bakhtiyarova, Haiyan Fan, Enrico Benassi

引用次数: 0

Graphene Oxide and its Composites: Advanced Membranes for Selective Water Permeation. 氧化石墨烯及其复合材料：用于选择性渗水的先进膜。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-27 DOI: 10.1002/cphc.202400662

Byeongho Lee, Choonsoo Kim

{"title":"Graphene Oxide and its Composites: Advanced Membranes for Selective Water Permeation.","authors":"Byeongho Lee, Choonsoo Kim","doi":"10.1002/cphc.202400662","DOIUrl":"https://doi.org/10.1002/cphc.202400662","url":null,"abstract":"Graphene oxide (GO) membranes have gained significant attention as a promising material for separation by selective permeation processes due to their advantageous structural and chemical properties, including high water permeability, chemical resistance, and mechanical strength. In this study, we explore the potential applications of GO membranes in pervaporation to separate liquid mixtures. The layered structure and hydrophilic nature of GO membrane facilitate rapid and selective water transport through angstrom-scale interlayer spacings, resulting in superior performance over conventional polymeric and inorganic membranes. The unique mass transport mechanisms - slip flow and molecular alignment - enable GO membranes to selectively permeate water over organic solvents. For chemical dehydration, GO membranes are the most potential candidates. Furthermore, advancements in composite GO membranes and cross-linking techniques that improve their stability and separation performance are discussed. This study highlights the advantages of GO membranes and their potential to replace or complement existing technologies, by emphasizing their role in advancing membrane-based separation and promoting environmental sustainability. Future research is expected to optimize the fabrication techniques for GO membranes and expand their application scope.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202400662"},"PeriodicalIF":2.3,"publicationDate":"2024-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142496019","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 Adding Phosphorus on Crystal Structure of W-V-Nb Complex Oxide and Catalytic Selective Oxidation of Acrolein. 添加磷对 W-V-Nb 复合氧化物晶体结构及催化选择性氧化丙烯醛的影响

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-27 DOI: 10.1002/cphc.202400562

Kaori Omata, Tomonori Nambu

引用次数: 0

High-Performance Organic Field-Effect Transistors and Inverters with Good Flexibility and Low Operating Voltage. 具有良好灵活性和低工作电压的高性能有机场效应晶体管和逆变器。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-27 DOI: 10.1002/cphc.202300683

Fukang Yang, Shining Liu, Congling Li, Aifeng Lv

{"title":"High-Performance Organic Field-Effect Transistors and Inverters with Good Flexibility and Low Operating Voltage.","authors":"Fukang Yang, Shining Liu, Congling Li, Aifeng Lv","doi":"10.1002/cphc.202300683","DOIUrl":"10.1002/cphc.202300683","url":null,"abstract":"Organic field-effect transistors (OFETs) with good flexibility and low operating voltage, are of great meaning for the low power stretchable and wearable electronic devices. The operating voltage and flexibility are easily affected by the dielectric layers in the OFETs. Bilayer dielectrics comprising both high- and low-permittivity (k) insulating polymers, have been reported. The flexible bilayer dielectrics can combine the advantages of both insulating polymers, which are high charge carriers from low-k polymers and low operating voltage from high-k polymers. However, the effect of film thicknesses in the bilayer dielectrics on the OFET performance is seldom investigated. Here, bilayer dielectrics comprising high-k polyvinyl alcohol (PVA) and low-k polymethylmethacrylate (PMMA) were fabricated. And PVA/PMMA bilayers with three different PVA film thicknesses are carefully investigated. The 300 nm PVA/100 nm PMMA bilayer dielectric makes the pentacene OFETs show the highest hole mobility of 1.24 cm2 V-1s-1 and the corresponding inverters give a high voltage gain of 40 and a noise margin of 2.3 V (77 % of 1/2 VDD) at low operating voltage of 6 V. Both the pentacene transistors and the inverters still work properly under bending radium of 5.85 mm, proving the good prospects of the PVA/PMMA bilayer dielectric in practical applications.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202300683"},"PeriodicalIF":2.3,"publicationDate":"2024-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142496020","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

Post-CCSD(T) Thermochemistry of Chlorine Fluorides as a Challenging Test Case for Evaluating Density Functional Theory and Composite Ab Initio Methods. 后 CCSD（T）氯氟化物热化学作为评估密度泛函理论和复合 Ab Initio 方法的挑战性测试案例。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-27 DOI: 10.1002/cphc.202400750

Amir Karton, Matthias Haasler, Martin Kaupp

{"title":"Post-CCSD(T) Thermochemistry of Chlorine Fluorides as a Challenging Test Case for Evaluating Density Functional Theory and Composite Ab Initio Methods.","authors":"Amir Karton, Matthias Haasler, Martin Kaupp","doi":"10.1002/cphc.202400750","DOIUrl":"10.1002/cphc.202400750","url":null,"abstract":"Quantum chemistry plays a key role in exploring the chemical properties of highly reactive chlorine polyfluoride compounds (ClFn). Here, we investigate the thermochemical properties of ClFn species (n=2-6) by means of high-level thermochemical procedures approximating the CCSDT(Q) and CCSDTQ5 energies at the complete basis set limit. We consider total atomization energies (TAEs), Cl-F bond dissociation energies (BDEs), F2 elimination energies (F2 elim.), ionization potentials (IPs), and electron affinities (EAs). The TAEs have significant contributions from post-CCSD(T) correlation effects. The higher-order triple excitations, CCSDT-CCSD(T), are negative and amount to -0.338 (ClF2), -0.727 (ClF3), -0.903 (ClF4), -1.335 (ClF5), and -1.946 (ClF6) kcal/mol. However, the contributions from quadruple (and, where available, also quintuple) excitations are much larger and positive and amount to +1.335 (ClF2), +1.387 (ClF3), +2.367 (ClF4), +2.399 (ClF5), and +3.432 (ClF6) kcal/mol. Thus, the contributions from post-CCSD(T) excitations exceed the threshold of chemical accuracy in nearly all cases. Due to their increasing hyper-valency and multireference character, the ClFn series provides an interesting and challenging test case for both density functional theory and low-level composite ab initio procedures. Here, we highlight the limitations in achieving overall chemical accuracy across all DFT and most composite ab initio procedures.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202400750"},"PeriodicalIF":2.3,"publicationDate":"2024-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142496022","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

Triel Bonds with Methyl Groups as Electron Donors. A Pentacoordinate Carbon Atom. 以甲基为电子供体的三硒键。五配位碳原子。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-27 DOI: 10.1002/cphc.202400931

Xin Wang, Yuwei Cheng, Qingzhong Li, Steve Scheiner

引用次数: 0

Miscibility of Non-Uniform Aliphatic Polyamide Mixtures 非均匀脂肪族聚酰胺混合物的混溶性。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-24 DOI: 10.1002/cphc.202400206

Stijn H. M. van Leuken, Judith J. van Gorp, Rolf A. T. M. van Benthem, Mark Vis, Remco Tuinier

引用次数: 0

Thermodynamic Modeling of an Aqueous N, N-Dimethyldipropylenetriamine and Benzylamine Blend for Efficient CO₂ Capture. 用于高效二氧化碳捕集的 N,N-二甲基二丙烯三胺和苄胺混合物水溶液的热力学模型。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-24 DOI: 10.1002/cphc.202400624

Sirshendu Banerjee, Amar Nath Samanta, Bimal Das, Bikash Kumar Mondal

{"title":"Thermodynamic Modeling of an Aqueous N, N-Dimethyldipropylenetriamine and Benzylamine Blend for Efficient CO2 Capture.","authors":"Sirshendu Banerjee, Amar Nath Samanta, Bimal Das, Bikash Kumar Mondal","doi":"10.1002/cphc.202400624","DOIUrl":"10.1002/cphc.202400624","url":null,"abstract":"This study evaluates the carbon dioxide (CO2) capture capabilities of a novel aqueous blend of N,N-dimethyldipropylenetriamine (DMDPTA) and benzylamine (BA). The solvent properties such density, vapor- liquid equilibrium (VLE) of CO2 in the solvent, CO2 absorption enthalpy are evaluated experimentally for solvent composition of (5 mass % DMDPTA+25 mass % BA), (10 mass % DMDPTA+20 mass % BA), and (15 mass % DMDPTA+15 mass % BA). Solvent density were measured in the temperature range of 303 K-333 K and correlated using Redlich-Kister excess molar volume model, with a low average absolute relative deviation (AARD) of 0.014. VLE data was measured using a custom-made stirred VLE cell, within CO2 partial pressure range of 2-200 kPa and at temperatures 313 K, 323 K and 333 K. Equilibrium CO2 solubility data were correlated using a modified Kent-Eisenberg model, achieving an AARD of 1.5 %. Enthalpy of CO2 absorption was measured at 313 K using a Meter Toledo reaction calorimeter. Results indicated that under similar process conditions and solvent composition, (DMDPTA+BA) blends exhibited significantly higher CO2 loading and low absorption enthalpy compared to aqueous BA and monoethanolamine solvent alone indicating the potential of (DMDPTA+BA) blend as efficient CO2 capture solvent.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202400624"},"PeriodicalIF":2.3,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142496024","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

Structure and Dynamics in Solid Electrolyte Composites of the Organic Ionic Plastic Crystal HMGFSI and Lithium Sulphonamide Functional Acrylate Polymer Nanoparticles. 有机离子塑料晶体 HMGFSI 和磺酰胺锂功能性丙烯酸酯聚合物纳米颗粒固态电解质复合材料的结构与动力学。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-24 DOI: 10.1002/cphc.202400440

Yady García, Luca Porcarelli, Colin Kang, Haijin Zhu, David Mecerreyes, Maria Forsyth, Luke A O'Dell

{"title":"Structure and Dynamics in Solid Electrolyte Composites of the Organic Ionic Plastic Crystal HMGFSI and Lithium Sulphonamide Functional Acrylate Polymer Nanoparticles.","authors":"Yady García, Luca Porcarelli, Colin Kang, Haijin Zhu, David Mecerreyes, Maria Forsyth, Luke A O'Dell","doi":"10.1002/cphc.202400440","DOIUrl":"https://doi.org/10.1002/cphc.202400440","url":null,"abstract":"Solid electrolyte composites between organic ionic plastic crystals (OIPCs) and polymers can potentially show enhanced mechanical properties and ion conduction. These properties can be determined by the formation of interfacial regions which affect the structure, thermal properties, and ion transport of the composite material. Here we studied the properties of composites between the OIPC hexamethylguanidinium bis(fluorosulfonyl)imide (HMGFSI) and acrylate polymer nanoparticles functionalised with lithium, using various techniques including solid-state NMR spectroscopy. An enhancement in ionic conductivity of three orders of magnitude as well as increased lithium and OIPC cation and anion dynamics were observed in the composite as prepared with 40 v% of polymer nanoparticles with respect to the pure OIPC at 50 °C. This was attributed to the increased overall structural disorder as a result of the formation of disordered interfacial regions, which were evidenced by solid-state NMR spectroscopy. In addition, the importance of the thermal history of these composites is highlighted, with differences in the conductivity and ion dynamics observed after melting and recrystallizing the OIPC component, leading to less disordered interfacial regions. This study enriches our fundamental understanding of the formation of interfacial regions in OIPC composites and their effect on the bulk properties of the electrolyte.","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":" ","pages":"e202400440"},"PeriodicalIF":2.3,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142496023","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

Water as Solvent for the Dispersion of 2D Nanostructured Materials. 水作为二维纳米结构材料的分散溶剂。

IF 2.3 3区化学

Chemphyschem Pub Date : 2024-10-22 DOI: 10.1002/cphc.202400904

Vasilios I Georgakilas

引用次数: 0