Chemical physics reviews最新文献_第9页

BODIPY dyes: Versatile building blocks to construct multiple types of self-assembled structures BODIPY染料:多功能构建块，可构建多种类型的自组装结构

Chemical physics reviews Pub Date : 2021-12-01 DOI: 10.1063/5.0065873

Beatriz Matarranz, Gustavo Fernández

引用次数: 6

Hybrid QM/classical models: Methodological advances and new applications QM/经典混合模型：方法学进展和新应用

Chemical physics reviews Pub Date : 2021-12-01 DOI: 10.1063/5.0064075

F. Lipparini, B. Mennucci

引用次数: 19

Ammonia electrosynthesis on single-atom catalysts: Mechanistic understanding and recent progress 单原子催化剂上氨的电合成：机理理解和最新进展

Chemical physics reviews Pub Date : 2021-12-01 DOI: 10.1063/5.0069736

Panpan Li, Z. Fang, Zhaoyu Jin, Guihua Yu

引用次数: 13

Physicochemical nature of polarization components limiting the fast operation of Li-ion batteries 极化成分的物理化学性质限制了锂离子电池的快速运行

Chemical physics reviews Pub Date : 2021-12-01 DOI: 10.1063/5.0068493

Junsik Kang, Bon-Uk Koo, Seok-Hyun Kang, Hochun Lee

引用次数: 11

Fundamentals and mechanics of polyelectrolyte gels: Thermodynamics, swelling, scattering, and elasticity 聚电解质凝胶的基础和力学：热力学、溶胀、散射和弹性

Chemical physics reviews Pub Date : 2021-12-01 DOI: 10.1063/5.0048152

K. Wilcox, Susan K. Kozawa, S. Morozova

引用次数: 5

Publisher's Note: “Strategies for improving performance, lifetime, and stability in light-emitting diodes using liquid medium” [Chem. Phys. Rev. 2, 041302 (2021)] 出版商注:“使用液体介质提高发光二极管性能、寿命和稳定性的策略”[化学]。理论物理。Rev. 2, 041302 (2021)]

Chemical physics reviews Pub Date : 2021-12-01 DOI: 10.1063/5.0076245

Sadra Sadeghi, G. Eren, S. Nizamoglu

引用次数: 0

Sample formulations for dissolution dynamic nuclear polarization 溶解动态核极化的样品配方

Chemical physics reviews Pub Date : 2021-12-01 DOI: 10.1063/5.0047899

Théo El Daraï, S. Jannin

引用次数: 4

Strategies for improving performance, lifetime, and stability in light-emitting diodes using liquid medium 利用液体介质提高发光二极管性能、寿命和稳定性的策略

Chemical physics reviews Pub Date : 2021-12-01 DOI: 10.1063/5.0058992

Sadra Sadeghi, G. Eren, S. Nizamoglu

引用次数: 7

Metal–organic frameworks for the generation of reactive oxygen species 用于生成活性氧的金属-有机框架

Chemical physics reviews Pub Date : 2021-10-04 DOI: 10.1063/5.0060141

Hudson A. Bicalho, Victor Quezada-Novoa, Ashlee J. Howarth

{"title":"Metal–organic frameworks for the generation of reactive oxygen species","authors":"Hudson A. Bicalho, Victor Quezada-Novoa, Ashlee J. Howarth","doi":"10.1063/5.0060141","DOIUrl":"https://doi.org/10.1063/5.0060141","url":null,"abstract":"Reactive oxygen species (ROS) are highly reactive molecules derived from oxygen, which are naturally generated and play essential roles in biological processes. At the same time, ROS are the basis of advanced oxidation processes (AOPs), which can be used for multiple applications of industrial interest, including water treatment and organic synthesis. Additionally, anti-cancer therapies that involve the targeted production of ROS in cancerous cells have shown promising results in vitro and in vivo by promoting oxidative stress and, hence, cell death. However, up to this day, the development of catalysts and systems that are, at the same time, easily synthesized, low-cost, nontoxic, and highly effective remains a challenge. With that in mind, metal–organic frameworks (MOFs), a relatively new class of coordination polymers, may display all these characteristics and many others, including tunable structure, extensive porosity, and high surface areas. Because of that, the design and synthesis of MOFs and MOF-based materials for the generation of ROS has garnered attention in recent years. In this review, we summarize recent advances in the development and use of MOFs or MOF-based materials as catalysts in AOPs and biological systems through the generation of ROS, shining light on promising results and future research directions.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44863040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 5

Bridging the Gap between H- and J-Aggregates: Classification and Supramolecular Tunability for Excitonic Band Structures in 2-Dimensional Molecular Aggregates 弥合H-和J-聚集体之间的差距：二维分子聚集体中激子能带结构的分类和超分子可调谐性

Chemical physics reviews Pub Date : 2021-09-21 DOI: 10.33774/chemrxiv-2021-ql3b7-v2

Arundhati Deshmukh, Niklas Geue, N. Bradbury, T. Atallah, Chern Chuang, Monica Pengshung, Jianshu Cao, Ellen M. Sletten, D. Neuhauser, Justin R. Caram

{"title":"Bridging the Gap between H- and J-Aggregates: Classification and Supramolecular Tunability for Excitonic Band Structures in 2-Dimensional Molecular Aggregates","authors":"Arundhati Deshmukh, Niklas Geue, N. Bradbury, T. Atallah, Chern Chuang, Monica Pengshung, Jianshu Cao, Ellen M. Sletten, D. Neuhauser, Justin R. Caram","doi":"10.33774/chemrxiv-2021-ql3b7-v2","DOIUrl":"https://doi.org/10.33774/chemrxiv-2021-ql3b7-v2","url":null,"abstract":"Molecular aggregates with long-range excitonic couplings have drastically different photophysical properties compared to their monomer counterparts. From Kasha’s model for 1-dimensional systems, positive or negative excitonic couplings lead to blue or red shifted optical spectra with respect to the monomers, labelled H-and J-aggregates respectively. The overall excitonic couplings in higher dimensional systems are much more complicated and cannot be simply classified from their spectral shifts alone. Here, we provide a unified classification for extended 2D aggregates using temperature dependent peak shifts, thermal broadening and quantum yields. We discuss the examples of six 2D aggregates with J-like absorption spectra but quite drastic changes quantum yields and superradiance. We find the origin of the differences is, in fact, a different excitonic band structure where the bright state is lower energy than the monomer but still away from the band edge. We call this an ‘I-aggregate’. Our results provide a description of the complex excitonic behaviors that cannot be explained solely on Kasha’s model. Further, such properties can be tuned with the packing geometries within the aggregates providing supramolecular pathways for controlling them. This will allow for precise optimizations of aggregate properties in their applications across the areas of optoelectronics, photonics, excitonic energy transfer, and shortwave infrared technologies.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47334321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 9