Detritusphere is a hotspot of carbon cycling in terrestrial ecosystems, yet the mineralization of soil organic carbon (SOC) within this microregion associated with reactive oxygen species (ROS) remains unclear. Herein, we investigated ROS production and distribution in the detritusphere of six representative soils and evaluated their contributions to SOC mineralization. We found that ROS production was significantly correlated with several soil chemical and biological factors, including pH, water-soluble phenols, water-extractable organic carbon, phenol oxidase activity, surface-bound or complexed Fe(II) and Fe(II) in low-crystalline minerals, highly crystalline Fe(II)-bearing minerals, and SOC. These factors collectively contributed to 99.6% of the variation in ROS production, as revealed by redundancy analyses. Among ROS, hydroxyl radicals (•OH) were key contributors to SOC mineralization, responsible for 10.4%–38.7% of CO2 emissions in ROS quenching experiments. Inhibiting •OH production decreased C-degrading enzyme activities, indicating that •OH stimulates CO2 emissions by increasing enzyme activity. Structural equation modeling further demonstrated that •OH promotes C-degrading enzyme activities by degrading water-soluble phenols to unlock the “enzyme latch” and by increasing SOC availability to upregulate C-degrading gene expression. These pathways contributed equally to SOC mineralization and exceeded its direct effect. These findings provide detailed insight into the mechanistic pathways of •OH-mediated carbon dynamics within the detritusphere.
{"title":"A Novel Perspective on the Role of Hydroxyl Radicals in Soil Organic Carbon Mineralization within the Detritusphere: Stimulating C-Degrading Enzyme Activities","authors":"Kangjie Yang, Bin Jia, Jinbo Liu, Kecheng Zhu, Junhao Qin, Hanzhong Jia","doi":"10.1021/acs.est.4c13619","DOIUrl":"https://doi.org/10.1021/acs.est.4c13619","url":null,"abstract":"Detritusphere is a hotspot of carbon cycling in terrestrial ecosystems, yet the mineralization of soil organic carbon (SOC) within this microregion associated with reactive oxygen species (ROS) remains unclear. Herein, we investigated ROS production and distribution in the detritusphere of six representative soils and evaluated their contributions to SOC mineralization. We found that ROS production was significantly correlated with several soil chemical and biological factors, including pH, water-soluble phenols, water-extractable organic carbon, phenol oxidase activity, surface-bound or complexed Fe(II) and Fe(II) in low-crystalline minerals, highly crystalline Fe(II)-bearing minerals, and SOC. These factors collectively contributed to 99.6% of the variation in ROS production, as revealed by redundancy analyses. Among ROS, hydroxyl radicals (<sup>•</sup>OH) were key contributors to SOC mineralization, responsible for 10.4%–38.7% of CO<sub>2</sub> emissions in ROS quenching experiments. Inhibiting <sup>•</sup>OH production decreased C-degrading enzyme activities, indicating that <sup>•</sup>OH stimulates CO<sub>2</sub> emissions by increasing enzyme activity. Structural equation modeling further demonstrated that <sup>•</sup>OH promotes C-degrading enzyme activities by degrading water-soluble phenols to unlock the “enzyme latch” and by increasing SOC availability to upregulate C-degrading gene expression. These pathways contributed equally to SOC mineralization and exceeded its direct effect. These findings provide detailed insight into the mechanistic pathways of <sup>•</sup>OH-mediated carbon dynamics within the detritusphere.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"24 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143560770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-06DOI: 10.1021/acs.jpcc.4c08542
Yuxin Zhou, Michael R Zachariah
The addition of aluminum particulates to polymer fuels is desired as a means to increase energy density. While nanosized aluminum has some attractive features with respect to its micrometer counterpart in terms of the burn rate, when incorporated into a fuel such as hydroxyl-terminated polybutadiene (HTPB), its release is often retarded, leading to crust formation on the fuel grain surface. Here, we undertake a molecular dynamics study to understand the size dependence of the polymer–particle interaction and how this impacts the size dependence of particle ejection. Comparing the interaction energy with the kinetic energy imparted to particles from the lifting force during polymer pyrolysis, we find that indeed, nanosized aluminum, due to its increased particle–polymer interaction binding energy, does not eject from the surface, while micrometer aluminum will. This is consistent with the experimental observation in a stagnation-flow burner. Further theoretical analysis indicated that replacing Al nanoparticles by nanosized Al/nitrocellulose (NC) mesoparticles may enhance the lifting of particles since the gas expansion from NC decomposition can generate sufficient kinetic energy to overcome the binding energy with the polymer.
{"title":"Computational Study on the Lifting of Aluminum Particles from a Hydroxyl-Terminated Polybutadiene Burning Surface","authors":"Yuxin Zhou, Michael R Zachariah","doi":"10.1021/acs.jpcc.4c08542","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c08542","url":null,"abstract":"The addition of aluminum particulates to polymer fuels is desired as a means to increase energy density. While nanosized aluminum has some attractive features with respect to its micrometer counterpart in terms of the burn rate, when incorporated into a fuel such as hydroxyl-terminated polybutadiene (HTPB), its release is often retarded, leading to crust formation on the fuel grain surface. Here, we undertake a molecular dynamics study to understand the size dependence of the polymer–particle interaction and how this impacts the size dependence of particle ejection. Comparing the interaction energy with the kinetic energy imparted to particles from the lifting force during polymer pyrolysis, we find that indeed, nanosized aluminum, due to its increased particle–polymer interaction binding energy, does not eject from the surface, while micrometer aluminum will. This is consistent with the experimental observation in a stagnation-flow burner. Further theoretical analysis indicated that replacing Al nanoparticles by nanosized Al/nitrocellulose (NC) mesoparticles may enhance the lifting of particles since the gas expansion from NC decomposition can generate sufficient kinetic energy to overcome the binding energy with the polymer.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"113 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143561237","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}
Bin Wang, Yue Xuan, Shuai Meng, Wenjie Fan, Yanjie Liang, Yue Peng, Qiaowan Chang, Tao Luan, Dong Wang, Junhua Li
Enriching oxygen species in perovskite catalysts provides more active sites for the catalytic oxidation of air pollutants, but its further application in environmental chemical engineering is still constrained by the inherent lack of oxygen species reactivity and the difficulty of replenishing depleted oxygen species. Herein, we present a scalable one-pot strategy for the in situ fabrication of a homogeneously distributed heterostructure, which brings La2CuO4 perovskite a 58-fold activity enhancement and robust antisintering/water/coke in toluene oxidation, higher than currently reported perovskite catalysts. Superior to the single “oxygen enrichment” effect of conventional surface-aggregated heterostructures, the homogeneously distributed heterostructures induce the reactivity enhancement of adsorbed oxygen and the backfilling/replenishment of depleted lattice oxygen, which break through the rate-determining steps of the low-temperature Langmuir–Hinshelwood and the high-temperature Mars–van Krevelen mechanisms, respectively. The scalability has been demonstrated in broader perovskite systems and for oxygen evolution reaction, offering a more dependable oxygen supply for environmental catalysis.
{"title":"Homogeneously Distributed Heterostructure Energizes and Replenishes Oxygen Species for Boosting Toluene Oxidation on Perovskite Oxide Catalysts","authors":"Bin Wang, Yue Xuan, Shuai Meng, Wenjie Fan, Yanjie Liang, Yue Peng, Qiaowan Chang, Tao Luan, Dong Wang, Junhua Li","doi":"10.1021/acs.est.4c09900","DOIUrl":"https://doi.org/10.1021/acs.est.4c09900","url":null,"abstract":"Enriching oxygen species in perovskite catalysts provides more active sites for the catalytic oxidation of air pollutants, but its further application in environmental chemical engineering is still constrained by the inherent lack of oxygen species reactivity and the difficulty of replenishing depleted oxygen species. Herein, we present a scalable one-pot strategy for the in situ fabrication of a homogeneously distributed heterostructure, which brings La<sub>2</sub>CuO<sub>4</sub> perovskite a 58-fold activity enhancement and robust antisintering/water/coke in toluene oxidation, higher than currently reported perovskite catalysts. Superior to the single “oxygen enrichment” effect of conventional surface-aggregated heterostructures, the homogeneously distributed heterostructures induce the reactivity enhancement of adsorbed oxygen and the backfilling/replenishment of depleted lattice oxygen, which break through the rate-determining steps of the low-temperature Langmuir–Hinshelwood and the high-temperature Mars–van Krevelen mechanisms, respectively. The scalability has been demonstrated in broader perovskite systems and for oxygen evolution reaction, offering a more dependable oxygen supply for environmental catalysis.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"23 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143569921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-06DOI: 10.1021/acs.jpclett.5c00184
Hongshun Du, Fang Wang, ZeWen Li, Song Li, Yu Luo, XingBo Chen, Lei Zheng, Yemei Han, Yan Cheng, Qing Luo, Kailiang Zhang
Multifunctional bionic devices have widespread applications in neuromorphic computing, intelligent sensors, and robotics. The inherent properties of memristors make them suitable for these emerging applications, but different applications require either volatile or nonvolatile operations in a unique device. In this work, we have developed a novel reconfigurable Ag/Al2O3/ITO memristor, which achieves adjustable switching behavior between volatile switching and nonvolatile switching by modulating the compliance current. A proposed mechanism controls the state of the conductive filaments in the device by adjusting compliance current, elucidating the adjustable switching process between volatile and nonvolatile states. Additionally, the synaptic functionality and nociceptor characteristics, including threshold, relaxation, inadaptation, and sensitization, have been successfully simulated. This integration of artificial synaptic and nociceptor functions into a single device is achieved, with the single-pulse power consumption of the nociceptor reaching as low as 0.912 nJ when the threshold is reached. These results provide insights into the construction of multifunctional bionic devices and demonstrate significant potential for future neuromorphic network applications.
{"title":"Reconfigurable Al2O3-Based Memristor for All-in-One Artificial Synapse and Nociceptor Neurons","authors":"Hongshun Du, Fang Wang, ZeWen Li, Song Li, Yu Luo, XingBo Chen, Lei Zheng, Yemei Han, Yan Cheng, Qing Luo, Kailiang Zhang","doi":"10.1021/acs.jpclett.5c00184","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c00184","url":null,"abstract":"Multifunctional bionic devices have widespread applications in neuromorphic computing, intelligent sensors, and robotics. The inherent properties of memristors make them suitable for these emerging applications, but different applications require either volatile or nonvolatile operations in a unique device. In this work, we have developed a novel reconfigurable Ag/Al<sub>2</sub>O<sub>3</sub>/ITO memristor, which achieves adjustable switching behavior between volatile switching and nonvolatile switching by modulating the compliance current. A proposed mechanism controls the state of the conductive filaments in the device by adjusting compliance current, elucidating the adjustable switching process between volatile and nonvolatile states. Additionally, the synaptic functionality and nociceptor characteristics, including threshold, relaxation, inadaptation, and sensitization, have been successfully simulated. This integration of artificial synaptic and nociceptor functions into a single device is achieved, with the single-pulse power consumption of the nociceptor reaching as low as 0.912 nJ when the threshold is reached. These results provide insights into the construction of multifunctional bionic devices and demonstrate significant potential for future neuromorphic network applications.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"12 1","pages":""},"PeriodicalIF":6.475,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143570036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-06DOI: 10.1021/acs.jpcc.4c08391
Lei Yang, Yang Xia
Transition-metal dichalcogenide monolayers have garnered significant attention due to their structural phase transformation properties. Phase engineering enables their application in the design and fabrication of advanced two-dimensional electronic devices. However, the existence of phase interfaces is inevitable in this situation, which may negatively impact the system performance. In this study, we employ geometrical analysis to systematically classify the 2H/1T′ interfaces formed during the 2H to 1T′ transition. We then derive a predictive equation for interfacial buckling based on elasticity theory, which is validated using density functional theory calculations. Additionally, we apply semiclassical Boltzmann transport theory to evaluate the electronic conductivity of different interfaces. By integrating these approaches, we assess the probability of the 2H/1T′ interface exhibiting varying electronic conductivities and interfacial buckling. Our results indicate that the 2H/1T′ interface is highly susceptible to interfacial buckling and typically demonstrates relatively poor electronic conductivity.
{"title":"Effects of Structural Phase Transformation-Induced 2H/1T′ Interfaces in Group VI Transition-Metal Dichalcogenide Monolayers","authors":"Lei Yang, Yang Xia","doi":"10.1021/acs.jpcc.4c08391","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c08391","url":null,"abstract":"Transition-metal dichalcogenide monolayers have garnered significant attention due to their structural phase transformation properties. Phase engineering enables their application in the design and fabrication of advanced two-dimensional electronic devices. However, the existence of phase interfaces is inevitable in this situation, which may negatively impact the system performance. In this study, we employ geometrical analysis to systematically classify the 2H/1T′ interfaces formed during the 2H to 1T′ transition. We then derive a predictive equation for interfacial buckling based on elasticity theory, which is validated using density functional theory calculations. Additionally, we apply semiclassical Boltzmann transport theory to evaluate the electronic conductivity of different interfaces. By integrating these approaches, we assess the probability of the 2H/1T′ interface exhibiting varying electronic conductivities and interfacial buckling. Our results indicate that the 2H/1T′ interface is highly susceptible to interfacial buckling and typically demonstrates relatively poor electronic conductivity.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"57 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143570120","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}
Bohdan Biletskyi, Maxime Dousset, Pierre Colonna, Virginie Héran, Yannick Carissan, Laurent Commeiras, Gaëlle Chouraqui
We describe an operationally simple, good-yielding, two-step cascade process to convert biscyclopropanes 1 into high-value benzocyclobutene building blocks 3. This study highlights the novel reactivity of our “in-house” donor–acceptor cyclopropane, achieving complete diastereoselectivity and regioselectivity transfer.
{"title":"Formation of Substituted Benzocyclobutenes Starting from Donor–Acceptor Cyclopropanes","authors":"Bohdan Biletskyi, Maxime Dousset, Pierre Colonna, Virginie Héran, Yannick Carissan, Laurent Commeiras, Gaëlle Chouraqui","doi":"10.1021/acs.joc.4c02926","DOIUrl":"https://doi.org/10.1021/acs.joc.4c02926","url":null,"abstract":"We describe an operationally simple, good-yielding, two-step cascade process to convert biscyclopropanes <b>1</b> into high-value benzocyclobutene building blocks <b>3</b>. This study highlights the novel reactivity of our “in-house” donor–acceptor cyclopropane, achieving complete diastereoselectivity and regioselectivity transfer.","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"127 1","pages":""},"PeriodicalIF":4.354,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143570215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-06DOI: 10.1021/acs.jpcb.4c08264
Georgia Polycarpou, Spiros S Skourtis
Metal dithiolene compounds are attracting considerable attention in the field of molecular electronics, particularly as constituents of materials with high charge-carrier mobilities. Recent experiments on cable bacteria that perform centimeter-scale charge transport suggest that Ni-bis(dithiolene) cofactors are important components of the bacterial conductive network. Further, current-voltage experiments of cable-bacteria-conductive sheaths have measured high conductivity values as compared to other electron-transfer bacteria. An important question is how the Ni-bis(dithiolene) structures participating as electron donors/acceptors contribute to the high conductivity. Currently, the protein and cofactor structures of these bacterial networks are largely unknown. Given this limitation, in this work, we explore the more general question of how Ni-bis(dithiolene) molecules would perform as electron donor and acceptor centers in protein-mediated charge transfer. Our aim is to deduce order-of-magnitude higher bounds for charge-transfer rates in such systems as a function of donor-acceptor distance, protein-bridge (amino acid) sequence, cofactor size, and redox state. These bounds are useful for predicting charge-transfer mechanisms and estimating rates in the absence of detailed structural information on protein wires that may use Ni-bis(dithiolene) redox cofactors. Our analysis is also relevant to the design of artificial Ni-bis(dithiolene) protein wires.
{"title":"Nickel-Dithiolene Cofactors as Electron Donors and Acceptors in Protein Hosts.","authors":"Georgia Polycarpou, Spiros S Skourtis","doi":"10.1021/acs.jpcb.4c08264","DOIUrl":"https://doi.org/10.1021/acs.jpcb.4c08264","url":null,"abstract":"<p><p>Metal dithiolene compounds are attracting considerable attention in the field of molecular electronics, particularly as constituents of materials with high charge-carrier mobilities. Recent experiments on cable bacteria that perform centimeter-scale charge transport suggest that Ni-bis(dithiolene) cofactors are important components of the bacterial conductive network. Further, current-voltage experiments of cable-bacteria-conductive sheaths have measured high conductivity values as compared to other electron-transfer bacteria. An important question is how the Ni-bis(dithiolene) structures participating as electron donors/acceptors contribute to the high conductivity. Currently, the protein and cofactor structures of these bacterial networks are largely unknown. Given this limitation, in this work, we explore the more general question of how Ni-bis(dithiolene) molecules would perform as electron donor and acceptor centers in protein-mediated charge transfer. Our aim is to deduce order-of-magnitude higher bounds for charge-transfer rates in such systems as a function of donor-acceptor distance, protein-bridge (amino acid) sequence, cofactor size, and redox state. These bounds are useful for predicting charge-transfer mechanisms and estimating rates in the absence of detailed structural information on protein wires that may use Ni-bis(dithiolene) redox cofactors. Our analysis is also relevant to the design of artificial Ni-bis(dithiolene) protein wires.</p>","PeriodicalId":60,"journal":{"name":"The Journal of Physical Chemistry B","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143571570","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-06DOI: 10.1021/acs.jpcc.5c00704
Zhihua Wu, Jian-Feng Li, Zhong-Qun Tian
Published as part of <i>The Journal of Physical Chemistry C</i> special issue “Celebrating 10 Years of the Collaborative Innovation Center of Chemistry for Energy Materials (iChEM)”. The Collaborative Innovation Center of Chemistry for Energy Materials (<i>i</i>ChEM) was approved in October 2014, jointly by Xiamen University (XMU), Fudan University (FDU), the University of Science and Technology of China (USTC), and the Dalian Institute of Chemical Physics (DICP) of the Chinese Academy of Sciences (CAS). The mission of the consortium is to integrate key innovative elements from universities, research institutes, and enterprises both in China and abroad. In addition, <i>i</i>ChEM leverages the strengths in chemistry and materials sciences of the four member-institutions to further advance cutting-edge energy-related research while also training younger generations for research excellence by strengthening collaboration between the research community and industry. Over the past decade, <i>i</i>ChEM has focused on common scientific issues in energy chemistry by jointly tackling energy chemistry and energy material systems and introducing a number of core key technologies. Researchers at <i>i</i>ChEM focus on three main areas: the optimal utilization of carbon resources, chemical energy storage and conversion, and solar energy conversion chemistry. Investigations in these energy-oriented areas use a number of approaches: basic research in synthesis and fabrication, theory and simulation, and instrumentation and methodology. As a result, we are able to make advances in the approaches themselves, as well as in the aforementioned three research areas. To realize the new energy strategic objectives, <i>i</i>ChEM has adhered to the principle of “chemistry as the foundation, materials as the carrier, and energy as the goal”, addressing critical scientific issues in the development of petroleum alternatives. This approach has led to a series of original results that are both urgently needed by the country and recognized as world-class. In order to celebrate the 10th anniversary of the <i>i</i>ChEM, The Journal of Physical Chemistry C (JPC C), The Journal of Physical Chemistry Letters (JPCL), and ACS Energy Letters are publishing a joint Special Issue (SI). This SI, organized by the center’s directors, Zhong-Qun Tian (Xiamen Univ.), Dongyuan Zhao (Fudan Univ.), Can Li (DICP, CAS), and Jinlong Yang (USTC), brings together 37 articles on energy materials and chemistry. It is with great pride and reflection that we look back on a decade of groundbreaking research, collaboration, and innovation. <i>i</i>ChEM has grown into a world-class hub for scientific exploration, fostering multidisciplinary partnerships and pioneering advancements in energy materials chemistry. Since its inception, <i>i</i>ChEM has been driven by a vision to address the critical challenges facing our world’s energy future. Our researchers, drawn from diverse backgrounds and expertise, have w
{"title":"Celebrating 10 Years of the Collaborative Innovation Center of Chemistry for Energy Materials (iChEM)","authors":"Zhihua Wu, Jian-Feng Li, Zhong-Qun Tian","doi":"10.1021/acs.jpcc.5c00704","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00704","url":null,"abstract":"Published as part of <i>The Journal of Physical Chemistry C</i> special issue “Celebrating 10 Years of the Collaborative Innovation Center of Chemistry for Energy Materials (iChEM)”. The Collaborative Innovation Center of Chemistry for Energy Materials (<i>i</i>ChEM) was approved in October 2014, jointly by Xiamen University (XMU), Fudan University (FDU), the University of Science and Technology of China (USTC), and the Dalian Institute of Chemical Physics (DICP) of the Chinese Academy of Sciences (CAS). The mission of the consortium is to integrate key innovative elements from universities, research institutes, and enterprises both in China and abroad. In addition, <i>i</i>ChEM leverages the strengths in chemistry and materials sciences of the four member-institutions to further advance cutting-edge energy-related research while also training younger generations for research excellence by strengthening collaboration between the research community and industry. Over the past decade, <i>i</i>ChEM has focused on common scientific issues in energy chemistry by jointly tackling energy chemistry and energy material systems and introducing a number of core key technologies. Researchers at <i>i</i>ChEM focus on three main areas: the optimal utilization of carbon resources, chemical energy storage and conversion, and solar energy conversion chemistry. Investigations in these energy-oriented areas use a number of approaches: basic research in synthesis and fabrication, theory and simulation, and instrumentation and methodology. As a result, we are able to make advances in the approaches themselves, as well as in the aforementioned three research areas. To realize the new energy strategic objectives, <i>i</i>ChEM has adhered to the principle of “chemistry as the foundation, materials as the carrier, and energy as the goal”, addressing critical scientific issues in the development of petroleum alternatives. This approach has led to a series of original results that are both urgently needed by the country and recognized as world-class. In order to celebrate the 10th anniversary of the <i>i</i>ChEM, The Journal of Physical Chemistry C (JPC C), The Journal of Physical Chemistry Letters (JPCL), and ACS Energy Letters are publishing a joint Special Issue (SI). This SI, organized by the center’s directors, Zhong-Qun Tian (Xiamen Univ.), Dongyuan Zhao (Fudan Univ.), Can Li (DICP, CAS), and Jinlong Yang (USTC), brings together 37 articles on energy materials and chemistry. It is with great pride and reflection that we look back on a decade of groundbreaking research, collaboration, and innovation. <i>i</i>ChEM has grown into a world-class hub for scientific exploration, fostering multidisciplinary partnerships and pioneering advancements in energy materials chemistry. Since its inception, <i>i</i>ChEM has been driven by a vision to address the critical challenges facing our world’s energy future. Our researchers, drawn from diverse backgrounds and expertise, have w","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"8 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143561240","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}
Pub Date : 2025-03-06DOI: 10.1016/j.nanoso.2025.101458
Jayashree Patra, V.K. Verma
Nickel ferrites (NiFe2O4) have gained attention for their excellent magnetic properties, including high magnetic permeability, low magnetic losses, and moderate coercivity, making them ideal for applications in electronics, telecommunications, magnetic sensors, and energy storage systems. Nickel ferrites have been prepared using a variety of synthesis processes, including sol-gel, co-precipitation, hydrothermal, microwave-assisted, and solvothermal. Each approach has a considerable impact on particle size, crystallinity, and magnetic characteristics. Bulk NiFe2O4 has a saturation magnetization (Ms) of ∼50–55 emu/g, coercivity (Hc) of 100–200 Oe, and Curie temperature (Tc) of ∼585°C, making it ideal for soft magnetic applications. Elemental doping (e.g., Zn, Mg, Co, and rare earth metals) alters the cation distribution, magnetic interactions, and structural features, allowing for customized performance. Zn²⁺ doping increases Ms by up to ∼60 emu/g, while rare-earth doping decreases Ms, making photocatalytic and energy storage applications more efficient. Nickel ferrites are widely used in catalysis (e.g., dye degradation, heavy metal removal, and photocatalysis), energy storage devices (e.g., supercapacitors with capacitance ∼650 F/g, lithium-ion batteries with specific capacities ∼850 mAh/g), and biomedical fields (e.g., magnetic hyperthermia and MRI contrast agents).
{"title":"Nickel ferrite: Advances in the synthesis methods, properties and its applications","authors":"Jayashree Patra, V.K. Verma","doi":"10.1016/j.nanoso.2025.101458","DOIUrl":"10.1016/j.nanoso.2025.101458","url":null,"abstract":"<div><div>Nickel ferrites (NiFe<sub>2</sub>O<sub>4</sub>) have gained attention for their excellent magnetic properties, including high magnetic permeability, low magnetic losses, and moderate coercivity, making them ideal for applications in electronics, telecommunications, magnetic sensors, and energy storage systems. Nickel ferrites have been prepared using a variety of synthesis processes, including sol-gel, co-precipitation, hydrothermal, microwave-assisted, and solvothermal. Each approach has a considerable impact on particle size, crystallinity, and magnetic characteristics. Bulk NiFe<sub>2</sub>O<sub>4</sub> has a saturation magnetization (M<sub>s</sub>) of ∼50–55 emu/g, coercivity (H<sub>c</sub>) of 100–200 Oe, and Curie temperature (T<sub>c</sub>) of ∼585°C, making it ideal for soft magnetic applications. Elemental doping (e.g., Zn, Mg, Co, and rare earth metals) alters the cation distribution, magnetic interactions, and structural features, allowing for customized performance. Zn²⁺ doping increases M<sub>s</sub> by up to ∼60 emu/g, while rare-earth doping decreases M<sub>s</sub>, making photocatalytic and energy storage applications more efficient. Nickel ferrites are widely used in catalysis (e.g., dye degradation, heavy metal removal, and photocatalysis), energy storage devices (e.g., supercapacitors with capacitance ∼650 F/g, lithium-ion batteries with specific capacities ∼850 mAh/g), and biomedical fields (e.g., magnetic hyperthermia and MRI contrast agents).</div></div>","PeriodicalId":397,"journal":{"name":"Nano-Structures & Nano-Objects","volume":"42 ","pages":"Article 101458"},"PeriodicalIF":5.45,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548959","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}
Pub Date : 2025-03-06Epub Date: 2025-02-24DOI: 10.1021/acs.jpclett.5c00150
Siow Mean Loh, Yao Jing, Tze Chien Sum, Annalisa Bruno, Subodh G Mhaisalkar, Steven A Blundell
Yb-doped CsPbCl3 has been widely studied during the past few decades because of its high photoluminescence quantum yields (due to quantum cutting) and its application as a spectral converter in solar cells. Two controversial mechanisms for the quantum-cutting process have been proposed, both involving a defect state, but with different energy levels and energy-transfer mechanisms. In order to clarify the mechanism of the quantum-cutting process, different Yb configurations in CsPbCl3 are studied with density-functional theory, the most favorable energetically being two Yb3+ ions along with a Pb vacancy distributed in a right-angle configuration. An additional Cl vacancy close to this impurity complex is then shown to be essential to create a shallow defect state that can enable quantum cutting. The important role of the Cl vacancy is also analyzed in quantum cutting in Yb-doped CsPbCl3(1-x)Brx.
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