Molly E. Vitale-Sullivan, A. Chang, Kuan-Hsun Chou, Zhenxing Feng, K. Stoerzinger
{"title":"Surface transformations of electrocatalysts during the oxygen evolution reaction","authors":"Molly E. Vitale-Sullivan, A. Chang, Kuan-Hsun Chou, Zhenxing Feng, K. Stoerzinger","doi":"10.1063/5.0139558","DOIUrl":"https://doi.org/10.1063/5.0139558","url":null,"abstract":"","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48621515","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}
Organic light-emitting devices (OLEDs) are a ubiquitous technology for displays with growing application in a variety of other spaces. The future success of this technology depends on further improvements in device efficiency and stability. One pathway for improvement relies on engineering molecular orientation in the organic thin films comprising an OLED. This review is focused on the subsequent spontaneous alignment of molecular electric dipole moments, known as spontaneous orientation polarization (SOP), a phenomenon observed for many common OLED materials. The magnitude of polarization fields associated with SOP rival what is experienced in an OLED under high injection and can significantly impact electronic and excitonic behavior. Here, we first review current work describing the mechanism for the formation of SOP, reflecting an interplay between several factors, such as molecular shape, intermolecular interactions, and processing conditions. We also consider several strategies to tune the polarization sign and magnitude, with emphasis on connecting observations to quantitative models of SOP formation. Building on this discussion of SOP in organic thin films, we review how polarization in OLED active layers impacts key aspects of device performance, including charge injection, luminescence efficiency, and stability. Finally, this review concludes with an outlook on areas of future development needed to realize broad control over SOP for a variety of applications, highlighting gaps in our current understanding of this phenomenon.
{"title":"Understanding and engineering spontaneous orientation polarization in organic light-emitting devices","authors":"E. Pakhomenko, Siliang He, R. Holmes","doi":"10.1063/5.0141588","DOIUrl":"https://doi.org/10.1063/5.0141588","url":null,"abstract":"Organic light-emitting devices (OLEDs) are a ubiquitous technology for displays with growing application in a variety of other spaces. The future success of this technology depends on further improvements in device efficiency and stability. One pathway for improvement relies on engineering molecular orientation in the organic thin films comprising an OLED. This review is focused on the subsequent spontaneous alignment of molecular electric dipole moments, known as spontaneous orientation polarization (SOP), a phenomenon observed for many common OLED materials. The magnitude of polarization fields associated with SOP rival what is experienced in an OLED under high injection and can significantly impact electronic and excitonic behavior. Here, we first review current work describing the mechanism for the formation of SOP, reflecting an interplay between several factors, such as molecular shape, intermolecular interactions, and processing conditions. We also consider several strategies to tune the polarization sign and magnitude, with emphasis on connecting observations to quantitative models of SOP formation. Building on this discussion of SOP in organic thin films, we review how polarization in OLED active layers impacts key aspects of device performance, including charge injection, luminescence efficiency, and stability. Finally, this review concludes with an outlook on areas of future development needed to realize broad control over SOP for a variety of applications, highlighting gaps in our current understanding of this phenomenon.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44452663","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}
Gas sensors based on chemiresistive technology are attractive for their small size, low-cost fabrication, predictable electrical properties, and compatibility with electronic circuits. They have various applications from health and safety to energy efficiency and emissions monitoring. Despite exploring many gas-sensing materials to detect different gases for the above-mentioned applications, these sensors have limitations such as poor selectivity, high limit of detection, poor reversibility, high operating temperature, and poor stability that restrict their implementation in real-time applications. To address these limitations and improve the sensing performance toward target gases, various approaches have been developed. In this regard, an important aspect to improve the gas-sensing performance is to optimize the device architecture by selecting the appropriate gas-sensing material, electrode material, and electrode structure design. This review discusses the advancements in the novel gas-sensing materials, such as metal-organic frameworks (MOFs), MXenes, graphitic carbon nitride (g-C3N4), hexagonal boron nitride (h-BN), group III–VI semiconductors, phosphorene, black phosphorus, metal ferrites, and high entropy oxides. In addition, this review discusses the impact of various electrode materials, including platinum (Pt), gold (Au), silver (Ag), chromium (Cr), indium tin oxide (ITO), and aluminum (Al), and its electrode structures and design parameters on the gas-sensing performance. The electrode structures covered in this review are head-to-head, interdigitated, fractal, and laser-induced graphene. Finally, this review highlights the summary, challenges, and future perspectives of novel gas-sensing materials, electrode materials, and their structures to improve the gas-sensing performance of chemiresistive sensors.
{"title":"Chemiresistive gas sensors: From novel gas-sensing materials to electrode structure","authors":"Venkata Ramesh Naganaboina, S. Singh","doi":"10.1063/5.0151356","DOIUrl":"https://doi.org/10.1063/5.0151356","url":null,"abstract":"Gas sensors based on chemiresistive technology are attractive for their small size, low-cost fabrication, predictable electrical properties, and compatibility with electronic circuits. They have various applications from health and safety to energy efficiency and emissions monitoring. Despite exploring many gas-sensing materials to detect different gases for the above-mentioned applications, these sensors have limitations such as poor selectivity, high limit of detection, poor reversibility, high operating temperature, and poor stability that restrict their implementation in real-time applications. To address these limitations and improve the sensing performance toward target gases, various approaches have been developed. In this regard, an important aspect to improve the gas-sensing performance is to optimize the device architecture by selecting the appropriate gas-sensing material, electrode material, and electrode structure design. This review discusses the advancements in the novel gas-sensing materials, such as metal-organic frameworks (MOFs), MXenes, graphitic carbon nitride (g-C3N4), hexagonal boron nitride (h-BN), group III–VI semiconductors, phosphorene, black phosphorus, metal ferrites, and high entropy oxides. In addition, this review discusses the impact of various electrode materials, including platinum (Pt), gold (Au), silver (Ag), chromium (Cr), indium tin oxide (ITO), and aluminum (Al), and its electrode structures and design parameters on the gas-sensing performance. The electrode structures covered in this review are head-to-head, interdigitated, fractal, and laser-induced graphene. Finally, this review highlights the summary, challenges, and future perspectives of novel gas-sensing materials, electrode materials, and their structures to improve the gas-sensing performance of chemiresistive sensors.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46967075","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}
Aqueous manganese (Mn)-based batteries are promising candidates for grid-scale energy storage due to their low-cost, high reversibility, and intrinsic safety. However, their further development is impeded by controversial reaction mechanisms and low energy density with unsatisfactory cycling stability. Here, we summarized various types of emerging aqueous Mn-based batteries based on the active redox couples, including liquid–solid deposition/dissolution reactions of Mn0/Mn2+ and Mn2+/MnO2, liquid–liquid conversion reactions of Mn2+/Mn3+ and MnO42−/MnO4−, and solid–solid intercalation reaction of XMnOy/MnOy (X: cations) with manganese oxide as the host materials. A critical review of the fundamental understanding of their physicochemical properties in each reaction, scientific challenges, and improvement strategies is presented. Finally, perspectives on aqueous Mn-based batteries design for future commercialization are highlighted.
{"title":"Emerging aqueous manganese-based batteries: Fundamental understanding, challenges, and opportunities","authors":"J. Lei, Liwei Jiang, Yi‐Chun Lu","doi":"10.1063/5.0146094","DOIUrl":"https://doi.org/10.1063/5.0146094","url":null,"abstract":"Aqueous manganese (Mn)-based batteries are promising candidates for grid-scale energy storage due to their low-cost, high reversibility, and intrinsic safety. However, their further development is impeded by controversial reaction mechanisms and low energy density with unsatisfactory cycling stability. Here, we summarized various types of emerging aqueous Mn-based batteries based on the active redox couples, including liquid–solid deposition/dissolution reactions of Mn0/Mn2+ and Mn2+/MnO2, liquid–liquid conversion reactions of Mn2+/Mn3+ and MnO42−/MnO4−, and solid–solid intercalation reaction of XMnOy/MnOy (X: cations) with manganese oxide as the host materials. A critical review of the fundamental understanding of their physicochemical properties in each reaction, scientific challenges, and improvement strategies is presented. Finally, perspectives on aqueous Mn-based batteries design for future commercialization are highlighted.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41645279","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}
Surface-enhanced Raman scattering (SERS) provides orders of magnitude of enhancements to weak Raman scattering. The improved sensitivity and chemical information conveyed in the spectral signatures make SERS a valuable analysis technique. Most of SERS enhancements come from the electromagnetic enhancement mechanism, and changes in spectral signatures are usually attributed to the chemical enhancement mechanism. As the electromagnetic mechanism has been well studied, we will give an overview of models related to the chemical mechanism, which explain the Raman response in terms of electronic transitions or induced electron densities. In the first class of models based on electronic transitions, chemical enhancements are attributed to changes in transitions of the molecule and new charge transfer transitions. The second class of models relate chemical enhancements to charge flows near the molecule–metal interface by partitioning the induced electron density of the SERS system in real space. Selected examples will be given to illustrate the two classes of models, and connections between the models are demonstrated for prototypical SERS systems.
{"title":"Interpreting chemical enhancements of surface-enhanced Raman scattering","authors":"Ran Chen, L. Jensen","doi":"10.1063/5.0138501","DOIUrl":"https://doi.org/10.1063/5.0138501","url":null,"abstract":"Surface-enhanced Raman scattering (SERS) provides orders of magnitude of enhancements to weak Raman scattering. The improved sensitivity and chemical information conveyed in the spectral signatures make SERS a valuable analysis technique. Most of SERS enhancements come from the electromagnetic enhancement mechanism, and changes in spectral signatures are usually attributed to the chemical enhancement mechanism. As the electromagnetic mechanism has been well studied, we will give an overview of models related to the chemical mechanism, which explain the Raman response in terms of electronic transitions or induced electron densities. In the first class of models based on electronic transitions, chemical enhancements are attributed to changes in transitions of the molecule and new charge transfer transitions. The second class of models relate chemical enhancements to charge flows near the molecule–metal interface by partitioning the induced electron density of the SERS system in real space. Selected examples will be given to illustrate the two classes of models, and connections between the models are demonstrated for prototypical SERS systems.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44835731","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}
Heterogeneous interfaces are central to many energy-related applications in the nanoscale. From the first-principles electronic structure perspective, one of the outstanding problems is accurately and efficiently calculating how the frontier quasiparticle levels of one component are aligned in energy with those of another at the interface, i.e., the so-called interfacial band alignment or level alignment. The alignment or the energy offset of these frontier levels is phenomenologically associated with the charge-transfer barrier across the interface and therefore dictates the interfacial dynamics. Although many-body perturbation theory provides a formally rigorous framework for computing the interfacial quasiparticle electronic structure, it is often associated with a high computational cost and is limited by its perturbative nature. It is, therefore, of great interest to develop practical alternatives, preferably based on density functional theory (DFT), which is known for its balance between efficiency and accuracy. However, conventional developments of density functionals largely focus on total energies and thermodynamic properties, and the design of functionals aiming for interfacial electronic structure is only emerging recently. This Review is dedicated to a self-contained narrative of the interfacial electronic structure problem and the efforts of the DFT community in tackling it. Since interfaces are closely related to surfaces, we first discuss the key physics behind the surface and interface electronic structure, namely, the image potential and the gap renormalization. This is followed by a review of early examinations of the surface exchange-correlation hole and the exchange-correlation potential, which are central quantities in DFT. Finally, we survey two modern endeavors in functional development that focus on the interfacial electronic structure, namely, the dielectric-dependent hybrids and local hybrids.
{"title":"Density functional descriptions of interfacial electronic structure","authors":"Zhen-Fei Liu","doi":"10.1063/5.0156437","DOIUrl":"https://doi.org/10.1063/5.0156437","url":null,"abstract":"Heterogeneous interfaces are central to many energy-related applications in the nanoscale. From the first-principles electronic structure perspective, one of the outstanding problems is accurately and efficiently calculating how the frontier quasiparticle levels of one component are aligned in energy with those of another at the interface, i.e., the so-called interfacial band alignment or level alignment. The alignment or the energy offset of these frontier levels is phenomenologically associated with the charge-transfer barrier across the interface and therefore dictates the interfacial dynamics. Although many-body perturbation theory provides a formally rigorous framework for computing the interfacial quasiparticle electronic structure, it is often associated with a high computational cost and is limited by its perturbative nature. It is, therefore, of great interest to develop practical alternatives, preferably based on density functional theory (DFT), which is known for its balance between efficiency and accuracy. However, conventional developments of density functionals largely focus on total energies and thermodynamic properties, and the design of functionals aiming for interfacial electronic structure is only emerging recently. This Review is dedicated to a self-contained narrative of the interfacial electronic structure problem and the efforts of the DFT community in tackling it. Since interfaces are closely related to surfaces, we first discuss the key physics behind the surface and interface electronic structure, namely, the image potential and the gap renormalization. This is followed by a review of early examinations of the surface exchange-correlation hole and the exchange-correlation potential, which are central quantities in DFT. Finally, we survey two modern endeavors in functional development that focus on the interfacial electronic structure, namely, the dielectric-dependent hybrids and local hybrids.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47170408","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}
Billy J. Williams-Noonan, Alexa Kamboukos, N. Todorova, I. Yarovsky
Peptide self-assembly is the process by which peptide molecules aggregate into low dimensional (1D, 2D) or 3D ordered materials with potential applications ranging from drug delivery to electronics. Short peptides are particularly good candidates for forming supramolecular assemblies due to the relatively simple structure and ease of modulating their self-assembly process to achieve required material properties. The experimental resolution of fibrous peptide-based nanomaterials as 3D atomic coordinates remains challenging. For surface-mediated peptide assembly in particular, it is typically not feasible to resolve multiple conformationally distinct surface bound peptide structures by experiment. The mechanisms of peptide self-assembly also remain elusive due to the interchange of complex interactions and multiple time and length scales involved in the self-assembly process. Peptide self-assembly in solution, or mediated by surfaces, is driven by specific interactions between the peptides and water, competing interactions within the peptide and/or between peptide aggregate units and, in the latter case, an interplay of the interactions between peptides and solvent molecules for adsorption onto a proximal surface. Computational methodologies have proven beneficial in elucidating the structures formed during peptide self-assembly and the molecular mechanisms driving it, and hence have scope in facilitating the development of functional peptide-based nanomaterials for medical or biotechnological applications. In this perspective, computational methods that have provided molecular insights into the mechanisms of formation of peptide biomaterials, and the all-atom-resolved structures of peptide assemblies are presented. Established and recently emerged molecular simulation approaches are reviewed with a focus on applications relevant to peptide assembly, including all-atom and coarse-grained “brute force” molecular dynamics methods as well as the enhanced sampling methodologies: umbrella sampling, steered and replica exchange molecular dynamics, and variants of metadynamics. These approaches have been shown to contribute all-atom details not yet available experimentally, to advance our understanding of peptide self-assembly processes and biomaterial formation. The scope of this review includes a summary of the current state of the computational methods, in terms of their strengths and limitations for application to self-assembling peptide biomaterials.
{"title":"Self-assembling peptide biomaterials: Insights from spontaneous and enhanced sampling molecular dynamics simulations","authors":"Billy J. Williams-Noonan, Alexa Kamboukos, N. Todorova, I. Yarovsky","doi":"10.1063/5.0142302","DOIUrl":"https://doi.org/10.1063/5.0142302","url":null,"abstract":"Peptide self-assembly is the process by which peptide molecules aggregate into low dimensional (1D, 2D) or 3D ordered materials with potential applications ranging from drug delivery to electronics. Short peptides are particularly good candidates for forming supramolecular assemblies due to the relatively simple structure and ease of modulating their self-assembly process to achieve required material properties. The experimental resolution of fibrous peptide-based nanomaterials as 3D atomic coordinates remains challenging. For surface-mediated peptide assembly in particular, it is typically not feasible to resolve multiple conformationally distinct surface bound peptide structures by experiment. The mechanisms of peptide self-assembly also remain elusive due to the interchange of complex interactions and multiple time and length scales involved in the self-assembly process. Peptide self-assembly in solution, or mediated by surfaces, is driven by specific interactions between the peptides and water, competing interactions within the peptide and/or between peptide aggregate units and, in the latter case, an interplay of the interactions between peptides and solvent molecules for adsorption onto a proximal surface. Computational methodologies have proven beneficial in elucidating the structures formed during peptide self-assembly and the molecular mechanisms driving it, and hence have scope in facilitating the development of functional peptide-based nanomaterials for medical or biotechnological applications. In this perspective, computational methods that have provided molecular insights into the mechanisms of formation of peptide biomaterials, and the all-atom-resolved structures of peptide assemblies are presented. Established and recently emerged molecular simulation approaches are reviewed with a focus on applications relevant to peptide assembly, including all-atom and coarse-grained “brute force” molecular dynamics methods as well as the enhanced sampling methodologies: umbrella sampling, steered and replica exchange molecular dynamics, and variants of metadynamics. These approaches have been shown to contribute all-atom details not yet available experimentally, to advance our understanding of peptide self-assembly processes and biomaterial formation. The scope of this review includes a summary of the current state of the computational methods, in terms of their strengths and limitations for application to self-assembling peptide biomaterials.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44482306","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}
Hoyoung Lee, Shikai Jin, Jiyong Chung, Minsu Kim, Seung Woo Lee
Two-dimensional (2D) atomic layer materials have attracted a great deal of attention due to their superior chemical, physical, and electronic properties, and have demonstrated excellent performance in various applications such as energy storage devices, catalysts, sensors, and transistors. Nevertheless, the cost-effective and large-scale production of high-quality 2D materials is critical for practical applications and progressive development in the industry. Electrochemical exfoliation is a recently introduced technique for the facile, environmentally friendly, fast, large-scale production of 2D materials. In this review, we summarize recent advances in different types of electrochemical exfoliation methods for efficiently preparing 2D materials, along with the characteristics of each method, and then introduce their applications as electrode materials for energy storage devices. Finally, the remaining challenges and prospects for developing the electrochemical exfoliation process of 2D materials for energy storage devices are discussed.
{"title":"Electrochemical production of two-dimensional atomic layer materials and their application for energy storage devices","authors":"Hoyoung Lee, Shikai Jin, Jiyong Chung, Minsu Kim, Seung Woo Lee","doi":"10.1063/5.0134834","DOIUrl":"https://doi.org/10.1063/5.0134834","url":null,"abstract":"Two-dimensional (2D) atomic layer materials have attracted a great deal of attention due to their superior chemical, physical, and electronic properties, and have demonstrated excellent performance in various applications such as energy storage devices, catalysts, sensors, and transistors. Nevertheless, the cost-effective and large-scale production of high-quality 2D materials is critical for practical applications and progressive development in the industry. Electrochemical exfoliation is a recently introduced technique for the facile, environmentally friendly, fast, large-scale production of 2D materials. In this review, we summarize recent advances in different types of electrochemical exfoliation methods for efficiently preparing 2D materials, along with the characteristics of each method, and then introduce their applications as electrode materials for energy storage devices. Finally, the remaining challenges and prospects for developing the electrochemical exfoliation process of 2D materials for energy storage devices are discussed.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42869469","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}
Lithium–sulfur batteries (LSBs) have received significant interest over the past decade due to their high energy density. Nevertheless, a pivotal challenge facing high-performance LSBs is exploring advanced cathode materials that can efficiently catalyze the conversion of lithium polysulfides (LiPSs) during both the charging and discharging processes. However, the development of catalysts for LSBs is still in its infancy due to the complex physical–chemical reaction mechanisms involved in transforming LiPSs during the cycles. Many up-and-coming strategies have been performed to solve this challenge. In this article, we overview lithium–sulfur storage mechanisms, the technology challenge, and the optimization strategies for designing high-performance catalysts of the lithium–sulfur cathode. Finally, future research directions are proposed for the design of bifunctional catalysts for LSBs.
{"title":"Rational design of the cathode catalysts for high performance lithium–sulfur batteries","authors":"Tianshuai Wang, Xiang Feng, Chao Lin, Qianfan Zhang","doi":"10.1063/5.0110449","DOIUrl":"https://doi.org/10.1063/5.0110449","url":null,"abstract":"Lithium–sulfur batteries (LSBs) have received significant interest over the past decade due to their high energy density. Nevertheless, a pivotal challenge facing high-performance LSBs is exploring advanced cathode materials that can efficiently catalyze the conversion of lithium polysulfides (LiPSs) during both the charging and discharging processes. However, the development of catalysts for LSBs is still in its infancy due to the complex physical–chemical reaction mechanisms involved in transforming LiPSs during the cycles. Many up-and-coming strategies have been performed to solve this challenge. In this article, we overview lithium–sulfur storage mechanisms, the technology challenge, and the optimization strategies for designing high-performance catalysts of the lithium–sulfur cathode. Finally, future research directions are proposed for the design of bifunctional catalysts for LSBs.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42104399","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}
Photochemical reactions are among the most important reactions in both theoretical studies and practical applications, since they utilize photon energy as the primary driving force. The sensitizer species is the key component connecting photons and the chemical materials of the reaction, which is conventionally among organic dyes or metal complex molecules. Semiconductor quantum dots (QDs), widely used in optoelectronic materials, and fluorescence sensing can be also applied to organic transformations due to their inherent physical and chemical properties. The similar functionalities and special photophysical features make QDs an ideal sensitizer and promote the efficient progress of the photochemical reactions. Moreover, the booming of QD photocatalysis reveals the excellent potential of interdisciplinary development between nano-materials science and organic chemistry QDs. Hence, a systematical explanation of the reaction principle of QDs in photocatalytic processes is necessary. In this review, we analyze the structural and optical properties of the QDs and illustrate how QDs participate in and facilitate organic reactions belonging to different pathways. We also present an outlook on the development of QD photocatalysis.
{"title":"Quantum dots: Another choice to sensitize organic transformations","authors":"Chen Ye, Deqi Zhang, Bin Chen, C. Tung, Lizhu Wu","doi":"10.1063/5.0126893","DOIUrl":"https://doi.org/10.1063/5.0126893","url":null,"abstract":"Photochemical reactions are among the most important reactions in both theoretical studies and practical applications, since they utilize photon energy as the primary driving force. The sensitizer species is the key component connecting photons and the chemical materials of the reaction, which is conventionally among organic dyes or metal complex molecules. Semiconductor quantum dots (QDs), widely used in optoelectronic materials, and fluorescence sensing can be also applied to organic transformations due to their inherent physical and chemical properties. The similar functionalities and special photophysical features make QDs an ideal sensitizer and promote the efficient progress of the photochemical reactions. Moreover, the booming of QD photocatalysis reveals the excellent potential of interdisciplinary development between nano-materials science and organic chemistry QDs. Hence, a systematical explanation of the reaction principle of QDs in photocatalytic processes is necessary. In this review, we analyze the structural and optical properties of the QDs and illustrate how QDs participate in and facilitate organic reactions belonging to different pathways. We also present an outlook on the development of QD photocatalysis.","PeriodicalId":72559,"journal":{"name":"Chemical physics reviews","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46752024","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}
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