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Annual review of physical chemistry最新文献

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Understanding Organic Photovoltaic Materials Using Simple Thermal Analysis Methodologies. 利用简单的热分析方法了解有机光伏材料。
IF 11.7 1区 化学
Annual review of physical chemistry Pub Date : 2024-06-01 Epub Date: 2024-06-14 DOI: 10.1146/annurev-physchem-070723-035427
Aditi Khirbat, Oded Nahor, Sara Marina Barbier, Artem Levitsky, Jaime Martín, Gitti Frey, Natalie Stingelin
{"title":"Understanding Organic Photovoltaic Materials Using Simple Thermal Analysis Methodologies.","authors":"Aditi Khirbat, Oded Nahor, Sara Marina Barbier, Artem Levitsky, Jaime Martín, Gitti Frey, Natalie Stingelin","doi":"10.1146/annurev-physchem-070723-035427","DOIUrl":"10.1146/annurev-physchem-070723-035427","url":null,"abstract":"<p><p>Large strides have been made in designing an ever-increasing set of modern organic materials of high functionality and thus, often, of high complexity, including semiconducting polymers, organic ferroelectrics, light-emitting small molecules, and beyond. Here, we review how broadly applied thermal analysis methodologies, especially differential scanning calorimetry, can be utilized to provide unique information on the assembly and solid-state structure of this extensive class of materials, as well as the phase behavior of intrinsically intricate multicomponent systems. Indeed, highly relevant insights can be gained that are useful, e.g., for further materials-discovery activities and the establishment of reliable processing protocols, in particular if combined with X-ray diffraction techniques, spectroscopic tools, and scanning electron microscopy enabled by vapor-phase infiltration staining. We, hence, illustrate that insights far richer than simple melting point- and glass-transition identification can be obtained with differential scanning calorimetry, rendering it a critical methodology to understand complex matter, including functional macromolecules and blends.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":" ","pages":"421-435"},"PeriodicalIF":11.7,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139995335","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
Dynamics of Anions: From Bound to Unbound States and Everything In Between. 阴离子动力学：从结合态到非结合态以及两者之间的一切。
IF 11.7 1区 化学
Annual review of physical chemistry Pub Date : 2024-06-01 Epub Date: 2024-06-14 DOI: 10.1146/annurev-physchem-090722-125031
Connor J Clarke, Jan R R Verlet
{"title":"Dynamics of Anions: From Bound to Unbound States and Everything In Between.","authors":"Connor J Clarke, Jan R R Verlet","doi":"10.1146/annurev-physchem-090722-125031","DOIUrl":"10.1146/annurev-physchem-090722-125031","url":null,"abstract":"<p><p>Gas-phase anions present an ideal playground for the exploration of excited-state dynamics. They offer control in terms of the mass, extent of solvation, internal temperature, and conformation. The application of a range of ion sources has opened the field to a vast array of anionic systems whose dynamics are important in areas ranging from biology to star formation. Here, we review recent experimental developments in the field of anion photodynamics, demonstrating the detailed insight into photodynamical and electron-capture processes that can be uncovered. We consider the electronic and nuclear ultrafast dynamics of electronically bound excited states along entire reaction coordinates; electronically unbound states showing that photochemical concepts, such as chromophores and Kasha's rule, are transferable to electron-driven chemistry; and nonvalence states that straddle the interface between bound and unbound states. Finally, we consider likely developments that are sure to keep the field of anion dynamics buoyant and impactful.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":" ","pages":"89-110"},"PeriodicalIF":11.7,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139566199","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
Single-Macromolecule Studies of Eukaryotic Genomic Maintenance. 真核生物基因组维护的单分子研究。
IF 11.7 1区 化学
Annual review of physical chemistry Pub Date : 2024-06-01 Epub Date: 2024-06-14 DOI: 10.1146/annurev-physchem-090722-010601
Sergei Rudnizky, Peter J Murray, Clara H Wolfe, Taekjip Ha
{"title":"Single-Macromolecule Studies of Eukaryotic Genomic Maintenance.","authors":"Sergei Rudnizky, Peter J Murray, Clara H Wolfe, Taekjip Ha","doi":"10.1146/annurev-physchem-090722-010601","DOIUrl":"10.1146/annurev-physchem-090722-010601","url":null,"abstract":"<p><p>Genomes are self-organized and self-maintained as long, complex macromolecules of chromatin. The inherent heterogeneity, stochasticity, phase separation, and chromatin dynamics of genome operation make it challenging to study genomes using ensemble methods. Various single-molecule force-, fluorescent-, and sequencing-based techniques rooted in different disciplines have been developed to fill critical gaps in the capabilities of bulk measurements, each providing unique, otherwise inaccessible, insights into the structure and maintenance of the genome. Capable of capturing molecular-level details about the organization, conformational changes, and packaging of genetic material, as well as processive and stochastic movements of maintenance factors, a single-molecule toolbox provides an excellent opportunity for collaborative research to understand how genetic material functions in health and malfunctions in disease. In this review, we discuss novel insights brought to genomic sciences by single-molecule techniques and their potential to continue to revolutionize the field-one molecule at a time.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":" ","pages":"209-230"},"PeriodicalIF":11.7,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139929662","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
Molecular Insights into Chemical Reactions at Aqueous Aerosol Interfaces. 水性气溶胶界面化学反应的分子洞察。
IF 11.7 1区 化学
Annual review of physical chemistry Pub Date : 2024-06-01 Epub Date: 2024-06-14 DOI: 10.1146/annurev-physchem-083122-121620
David T Limmer, Andreas W Götz, Timothy H Bertram, Gilbert M Nathanson
{"title":"Molecular Insights into Chemical Reactions at Aqueous Aerosol Interfaces.","authors":"David T Limmer, Andreas W Götz, Timothy H Bertram, Gilbert M Nathanson","doi":"10.1146/annurev-physchem-083122-121620","DOIUrl":"10.1146/annurev-physchem-083122-121620","url":null,"abstract":"<p><p>Atmospheric aerosols facilitate reactions between ambient gases and dissolved species. Here, we review our efforts to interrogate the uptake of these gases and the mechanisms of their reactions both theoretically and experimentally. We highlight the fascinating behavior of N<sub>2</sub>O<sub>5</sub> in solutions ranging from pure water to complex mixtures, chosen because its aerosol-mediated reactions significantly impact global ozone, hydroxyl, and methane concentrations. As a hydrophobic, weakly soluble, and highly reactive species, N<sub>2</sub>O<sub>5</sub> is a sensitive probe of the chemical and physical properties of aerosol interfaces. We employ contemporary theory to disentangle the fate of N<sub>2</sub>O<sub>5</sub> as it approaches pure and salty water, starting with adsorption and ending with hydrolysis to HNO<sub>3</sub>, chlorination to ClNO<sub>2</sub>, or evaporation. Flow reactor and gas-liquid scattering experiments probe even greater complexity as added ions, organic molecules, and surfactants alter the interfacial composition and reaction rates. Together, we reveal a new perspective on multiphase chemistry in the atmosphere.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":" ","pages":"111-135"},"PeriodicalIF":11.7,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139740206","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
Enhanced Sampling with Machine Learning. 利用机器学习增强采样。
IF 11.7 1区 化学
Annual review of physical chemistry Pub Date : 2024-06-01 Epub Date: 2024-06-14 DOI: 10.1146/annurev-physchem-083122-125941
Shams Mehdi, Zachary Smith, Lukas Herron, Ziyue Zou, Pratyush Tiwary
{"title":"Enhanced Sampling with Machine Learning.","authors":"Shams Mehdi, Zachary Smith, Lukas Herron, Ziyue Zou, Pratyush Tiwary","doi":"10.1146/annurev-physchem-083122-125941","DOIUrl":"10.1146/annurev-physchem-083122-125941","url":null,"abstract":"<p><p>Molecular dynamics (MD) enables the study of physical systems with excellent spatiotemporal resolution but suffers from severe timescale limitations. To address this, enhanced sampling methods have been developed to improve the exploration of configurational space. However, implementing these methods is challenging and requires domain expertise. In recent years, integration of machine learning (ML) techniques into different domains has shown promise, prompting their adoption in enhanced sampling as well. Although ML is often employed in various fields primarily due to its data-driven nature, its integration with enhanced sampling is more natural with many common underlying synergies. This review explores the merging of ML and enhanced MD by presenting different shared viewpoints. It offers a comprehensive overview of this rapidly evolving field, which can be difficult to stay updated on. We highlight successful strategies such as dimensionality reduction, reinforcement learning, and flow-based methods. Finally, we discuss open problems at the exciting ML-enhanced MD interface.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":" ","pages":"347-370"},"PeriodicalIF":11.7,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11213683/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139929656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Oxygenic Photosynthesis in Far-Red Light: Strategies and Mechanisms. 远红光下的含氧光合作用：战略与机制。
IF 11.7 1区 化学
Annual review of physical chemistry Pub Date : 2024-06-01 Epub Date: 2024-06-14 DOI: 10.1146/annurev-physchem-090722-125847
Eduard Elias, Thomas J Oliver, Roberta Croce
{"title":"Oxygenic Photosynthesis in Far-Red Light: Strategies and Mechanisms.","authors":"Eduard Elias, Thomas J Oliver, Roberta Croce","doi":"10.1146/annurev-physchem-090722-125847","DOIUrl":"10.1146/annurev-physchem-090722-125847","url":null,"abstract":"<p><p>Oxygenic photosynthesis, the process that converts light energy into chemical energy, is traditionally associated with the absorption of visible light by chlorophyll molecules. However, recent studies have revealed a growing number of organisms capable of using far-red light (700-800 nm) to drive oxygenic photosynthesis. This phenomenon challenges the conventional understanding of the limits of this process. In this review, we briefly introduce the organisms that exhibit far-red photosynthesis and explore the different strategies they employ to harvest far-red light. We discuss the modifications of photosynthetic complexes and their impact on the delivery of excitation energy to photochemical centers and on overall photochemical efficiency. Finally, we examine the solutions employed to drive electron transport and water oxidation using relatively low-energy photons. The findings discussed here not only expand our knowledge of the remarkable adaptation capacities of photosynthetic organisms but also offer insights into the potential for enhancing light capture in crops.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":" ","pages":"231-256"},"PeriodicalIF":11.7,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139929658","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
Photon Upconversion at Organic-Inorganic Interfaces. 有机-无机界面的光子上转换。
IF 11.7 1区 化学
Annual review of physical chemistry Pub Date : 2024-06-01 Epub Date: 2024-06-14 DOI: 10.1146/annurev-physchem-090722-011335
Zhiyuan Huang, Tsumugi Miyashita, Ming Lee Tang
{"title":"Photon Upconversion at Organic-Inorganic Interfaces.","authors":"Zhiyuan Huang, Tsumugi Miyashita, Ming Lee Tang","doi":"10.1146/annurev-physchem-090722-011335","DOIUrl":"10.1146/annurev-physchem-090722-011335","url":null,"abstract":"<p><p>Photon upconversion is a process that combines low-energy photons to form useful high-energy photons. There are potential applications in photovoltaics, photocatalysis, biological imaging, etc. Semiconductor quantum dots (QDs) are promising for the absorption of these low-energy photons due to the high extinction coefficient of QDs, especially in the near infrared (NIR). This allows the intriguing use of diffuse light sources such as solar irradiation. In this review, we describe the development of this organic-QD upconversion platform based on triplet-triplet annihilation, focusing on the dark exciton in QDs with triplet character. Then we introduce the underlying energy transfer steps, starting from QD triplet photosensitization, triplet exciton transport, triplet-triplet annihilation, and ending with the upconverted emission. Design principles to improve the total upconversion efficiency are presented. We end with limitations in current reports and proposed future directions. This review provides a guide for designing efficient organic-QD upconversion platforms for future applications, including overcoming the Shockley-Queisser limit for more efficient solar energy conversion, NIR-based phototherapy, and diagnostics in vivo.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":" ","pages":"329-346"},"PeriodicalIF":11.7,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139929660","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
The Optical Signatures of Stochastic Processes in Many-Body Exciton Scattering. 多体激子散射随机过程的光学特征。
IF 14.7 1区 化学
Annual review of physical chemistry Pub Date : 2023-04-24 DOI: 10.1146/annurev-physchem-102822-100922
Hao Li, S A Shah, Ajay Ram Srimath Kandada, Carlos Silva, Andrei Piryatinski, Eric R Bittner
{"title":"The Optical Signatures of Stochastic Processes in Many-Body Exciton Scattering.","authors":"Hao Li,&nbsp;S A Shah,&nbsp;Ajay Ram Srimath Kandada,&nbsp;Carlos Silva,&nbsp;Andrei Piryatinski,&nbsp;Eric R Bittner","doi":"10.1146/annurev-physchem-102822-100922","DOIUrl":"https://doi.org/10.1146/annurev-physchem-102822-100922","url":null,"abstract":"<p><p>We review our recent quantum stochastic model for spectroscopic lineshapes in the presence of a coevolving and nonstationary background population of excitations. Starting from a field theory description for interacting bosonic excitons, we derive a reduced model whereby optical excitons are coupled to an incoherent background via scattering as mediated by their screened Coulomb coupling. The Heisenberg equations of motion for the optical excitons are then driven by an auxiliary stochastic population variable, which we take to be the solution of an Ornstein-Uhlenbeck process. Here, we present an overview of the theoretical techniques we have developed as applied to predicting coherent nonlinear spectroscopic signals. We show how direct (Coulomb) and exchange coupling to the bath give rise to distinct spectral signatures and discuss mathematical limits on inverting spectral signatures to extract the background density of states.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":"74 ","pages":"467-492"},"PeriodicalIF":14.7,"publicationDate":"2023-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9342772","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: 3
Gas-Phase Computational Spectroscopy: The Challenge of the Molecular Bricks of Life. 气相计算光谱学:生命分子砖块的挑战。
IF 14.7 1区 化学
Annual review of physical chemistry Pub Date : 2023-04-24 DOI: 10.1146/annurev-physchem-082720-103845
Vincenzo Barone, Cristina Puzzarini
{"title":"Gas-Phase Computational Spectroscopy: The Challenge of the Molecular Bricks of Life.","authors":"Vincenzo Barone,&nbsp;Cristina Puzzarini","doi":"10.1146/annurev-physchem-082720-103845","DOIUrl":"https://doi.org/10.1146/annurev-physchem-082720-103845","url":null,"abstract":"<p><p>Gas-phase molecular spectroscopy is a natural playground for accurate quantum-chemical computations. However, the molecular bricks of life (e.g., DNA bases or amino acids) are challenging systems because of the unfavorable scaling of quantum-chemical models with the molecular size (active electrons) and/or the presence of large-amplitude internal motions. From the theoretical point of view, both aspects prevent the brute-force use of very accurate but very expensive state-of-the-art quantum-chemical methodologies. From the experimental point of view, both features lead to congested gas-phase spectra, whose assignment and interpretation are not at all straightforward. Based on these premises, this review focuses on the current status and perspectives of the fully a priori prediction of the spectral signatures of medium-sized molecules (containing up to two dozen atoms) in the gas phase with special reference to rotational and vibrational spectroscopies of some representative molecular bricks of life.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":"74 ","pages":"29-52"},"PeriodicalIF":14.7,"publicationDate":"2023-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9346232","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: 9
Isotope Effects and the Atmosphere. 同位素效应与大气。
IF 14.7 1区 化学
Annual review of physical chemistry Pub Date : 2023-04-24 DOI: 10.1146/annurev-physchem-061020-053429
Julia M Carlstad, Kristie A Boering
{"title":"Isotope Effects and the Atmosphere.","authors":"Julia M Carlstad,&nbsp;Kristie A Boering","doi":"10.1146/annurev-physchem-061020-053429","DOIUrl":"https://doi.org/10.1146/annurev-physchem-061020-053429","url":null,"abstract":"<p><p>Chemical physics plays a large role in determining the isotopic compositions of gases in Earth's atmosphere, which in turn provide fundamental insights into the sources, sinks, and transformations of atmospheric gases and particulates and their influence on climate. This review focuses on the kinetic and photolysis isotope effects relevant to understanding the isotope compositions of atmospheric ozone, carbon dioxide, methane, nitrous oxide, and other gases and their historical context. The discussion includes non-mass-dependent isotope compositions of oxygen-containing species and a brief overview of the recent growth of clumped isotope measurements at natural isotopic abundances, that is, of molecules containing more than one rare isotope. The intention is to introduce chemistry researchers to the field of using isotope compositions as tracers of atmospheric chemistry and climate both today and back in time through ice and rock records and to highlight the outstanding research questions to which experimental and theoretical physical chemists can contribute.</p>","PeriodicalId":7967,"journal":{"name":"Annual review of physical chemistry","volume":"74 ","pages":"439-465"},"PeriodicalIF":14.7,"publicationDate":"2023-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9347296","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
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