化学•材料最新文献

{"title":"Bromination-Enhanced Chiral Interactions for Triphenylamine on Au and Ag(111)","authors":"Hiroaki Ooe, Kazushiro Takasugi, Takashi Yokoyama","doi":"10.1021/acs.jpcc.4c08221","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c08221","url":null,"abstract":"Controlled intermolecular steric interactions within self-assembled structures of chiral molecules are crucial for developing future spintronics and polarization devices. Here, we present that chiral-ordered assembly of brominated triphenylamine (TBPA) on Au(111) and Ag(111) surfaces is achieved by bromination-enhanced interactions between neighboring molecules, which has been characterized by scanning tunneling microscopy. For TBPA, the propeller-shaped conformation gives rise to two chiral enantiomers. In the self-assembled structures of TBPA formed on both Au(111) and Ag(111), we find that the chiral recognition is attributed to the stereoselective interactions between neighboring molecules, which are enhanced by the attractive bromophenyl–bromophenyl interactions. We also discuss the influence of substrate surfaces on the chiral-ordered assembly of TBPA. This study provides valuable insights into the role of bromo substituents in controlling the steric interactions of chiral molecules.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"84 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143528197","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}

{"title":"Synthesis of N-Heterocycle-Ligated Porphyrins Using Iodobenzene Diacetate Enabled Regioselective Cross-Dehydrogenation of Porphyrins and NH-Heteroaromatics","authors":"Prakash Pandurang Taur, Narshimha Verma, Divanshu Sharma, Dalip Kumar","doi":"10.1021/acs.joc.4c02634","DOIUrl":"https://doi.org/10.1021/acs.joc.4c02634","url":null,"abstract":"Preparation of diverse <i>meso</i>-functionalized porphyrins involves iodine(III)- and copper triflate-promoted dehydrogenative coupling of <i>meso</i>-free porphyrins and appropriate NH-free heterocycles. Reaction conditions involving the stable and recyclable iodobenzene diacetate reagent are compatible with a range of NH-free heterocycles (acridone, phenoxazine and phenothiazine, carbazole, β-carbolin triazoles, imidazole, pyrazole, indazole, and tetrazole) and porphyrins to access diversely functionalized A₃B, A₂BC, and A₂B₂ porphyrins in moderate to good yields. The prepared heterocycle-appended porphyrins exhibit modestly red-shifted Soret and Q bands in the absorption spectra.","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"90 1","pages":""},"PeriodicalIF":4.354,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143528206","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}

{"title":"Comprehensive Study of Transient Mass Transport to Platinum Interdigitated Electrode Arrays to Perform Electrochemical pH Adjustment: Experimental and Numerical","authors":"Sepideh Falahatian, Mojtaba Taghipoor","doi":"10.1021/acs.jpcc.4c01368","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c01368","url":null,"abstract":"Precise pH control is a well-known and necessary process in many biological and chemical applications. Monitoring pH is achieved by adding buffering agents, such as salts of a weak acid and a weak base, to the experimental assays. Local pH adjustment can significantly affect the rate and activity of the electrochemical reactions. It is evident that a comprehensive study of pH change provides in-depth insight into electroanalysis by locally control acidic conditions. In this article, a finite element method has been employed to perform a comprehensive experimental and numerical study of interdigitated electrode arrays to investigate mass transport to the electrode arrays and control the pH change in the buffered and unbuffered solutions. A microfluidic device has been fabricated to visualize the pH change by using a pH indicator to perform image processing and verify the numerical method. Moreover, a 3D numerical model has been developed to couple an electrochemical system with a hydrodynamic flow. Our results revealed that local pH depends highly on the electrode configuration, current density, and buffering capacity in the diffusion-based system, while initial pH has no significant effect on adjusting local pH. By coupling the hydrodynamic flow, convective transport dominates the proton transport along the flow direction. Flow hydrodynamics directly relates to the diffusion process of the protons and pH variation. In such systems, pH control could be enhanced by balancing convective effects and modifying the geometrical parameters, including microchannel height and electrode separation.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"33 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143528195","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}

{"title":"Unraveling the Mechanisms of Li+-Ion Adsorption and Migration on Graphyne and Its BN Analogs","authors":"Jia-Xin Kang, Cong-Qiao Xu, Umer Younis, Yi Jing, Xuenian Chen, Jun Li","doi":"10.1021/acs.jpcc.4c08442","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c08442","url":null,"abstract":"Li-ion batteries are prevalent energy storage systems and are widely utilized in portable devices and electric vehicles. The advent of all-solid-state lithium-ion batteries has recently garnered significant interest due to their enhanced safety profiles. Two-dimensional (2D) materials, such as graphyne (GY) and graphdiyne (GDY), are anticipated to possess a high ion capacity, making them strong candidates for anode materials. Herein, density functional theory (DFT) calculations are performed to explore the adsorption and migration of Li⁺ ions on the surfaces of GY and its BN analogs (BNyne) that feature –C≡C– linked triangular holes and hexagonal rings (Scheme 1). Our findings reveal that the orbital energy and atomic radius differences among C, B, and N atoms, the polarization of B–N bonds, and the associated charge transfer are the main factors dictating the geometries, electronic structures, and stabilities. Li⁺-ion adsorption preferentially occurs at a distance of 0.7–1.0 Å above the centers of the triangular holes, with the strongest adsorption occurring on the BNyne-C and the weakest adsorption on BNyne-BN, due to different electrostatic interactions. The migration mechanism involves Li⁺ ion migrating from the center of one triangular hole to another with an activation barrier of ∼15 kcal/mol. Additional Li⁺ adsorption at the triangular hole can promote migration due to the reduced adsorption energy. The migration through the benzene-like hexagonal ring is less favored. Notably, among the systems studied, BNyne-BN demonstrates the lowest energy barriers for both migration pathways, indicating superior mobility and rendering it a promising material for potential applications in all-solid-state lithium-ion batteries.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"32 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143528199","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}

{"title":"Unveiling energy inefficiencies: A study on building energy consumption in single-person households","authors":"Jisoo Shim ,&nbsp;Doosam Song","doi":"10.1016/j.rser.2025.115546","DOIUrl":"10.1016/j.rser.2025.115546","url":null,"abstract":"<div><div>The rise of single-person households globally is reshaping the residential building sector, yet their energy consumption patterns have been largely overlooked. This study analyzes data from 518 households in South Korea over one year, revealing significant insights into single-person households’ energy use. Single-person households consume 2.69 times more heating energy, 1.66 times more electricity, and 1.55 times more domestic hot water per capita than multi-person households. Employed individuals in these households, who spend less time at home, consume more heating energy due to inefficient Heating, Ventilation, and Air Conditioning (HVAC) control behaviors, wasting 43.6 % of heating energy. The study highlights the urgent need for targeted energy policies and technological innovations tailored to single-person households. Current policies designed for multi-person households fail to address their unique needs. Proposed measures include revised building energy performance standards, optimized HVAC system sizing, and floor plan designs that consider the distinct occupancy patterns of single-person households. By addressing these challenges, policymakers and technologists can reduce energy consumption and support global carbon neutrality goals.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"214 ","pages":"Article 115546"},"PeriodicalIF":16.3,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Why Was My Manuscript Rejected without Review? Focus on Public Health and Environmental Exposures, Ecotoxicology, and Micro/Nanoplastics","authors":"Daniel Schlenk, Pablo Gago-Ferrero, Frederic D. L. Leusch, Huahong Shi, Bin Wang, Xiaowei Zhang, Margaret Mills","doi":"10.1021/acs.est.5c02615","DOIUrl":"https://doi.org/10.1021/acs.est.5c02615","url":null,"abstract":"This article has not yet been cited by other publications.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"7 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143526442","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}

{"title":"An experimental study for improving performance of a cylindrical OWC WEC with a heave plate","authors":"Wanan Sheng","doi":"10.1016/j.rser.2025.115517","DOIUrl":"10.1016/j.rser.2025.115517","url":null,"abstract":"<div><div>This paper presents an experimental investigation to a solution on the conventional cylindrical oscillating water column (OWC) wave energy converter (WEC), with a heave plate being attached below of the cylindrical OWC. Such a simple solution could change the hydrodynamics of the cylindrical OWC device dramatically due to the significant increase of the added mass and damping coefficient to the structure motions, in particular, the natural period of the structural heave motion could be greatly increased while the natural period of the water body remains almost unchanged. As such, the enlarged difference between these two natural periods means a large relative motion between them over a wider bandwidth, hence the improved OWC could absorb wave energy more efficiently over a larger bandwidth of the wave frequencies (or periods). This is especially beneficial for the device extracting energy from ocean waves efficiently, since ocean waves inherently contain multiple periods. Meanwhile, such a solution could maintain the simplicity for the OWC structure, and a shallow draft OWC device could be possible while its energy conversion capacity is not comprised. In this work, an experimental investigation is conducted on the improved cylindrical OWC (floating), with the aims at proving the concept: with a heave plate attached to the OWC, its wave energy extraction capacity can be dramatically increased. In addition, the device motions can be effectively reduced, which is also very beneficial for the mooring and cable connections, as well as the accessibility to the device in seas, so for reducing the cost of wave energy production further.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"214 ","pages":"Article 115517"},"PeriodicalIF":16.3,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520282","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Smart multi-stage energy-emission nexus framework for sustainable supply-demand management and CO2 mitigation","authors":"Hai-Tra Nguyen ,&nbsp;Abdulrahman H. Ba-Alawi ,&nbsp;Nivethitha Somu ,&nbsp;Roberto Chang-Silva ,&nbsp;ChangKyoo Yoo","doi":"10.1016/j.rser.2025.115551","DOIUrl":"10.1016/j.rser.2025.115551","url":null,"abstract":"<div><div>The increasing adoption of net-negative emission (N-NE) technologies, such as renewables, integrated carbon capture and storage (CCS), and potential CO₂ regeneration, is crucial to address energy poverty (SDG-7 and SDG-11) and reduce global CO₂ emission intensity (SDG-13) in non-OECD countries. This study proposes a smart management energy-emission nexus framework for a sustainable energy distribution network (EDN) and CO₂ emission mitigation. The framework integrates flexible demand response, bidirectional supply regulation and carbon-capture capacity planning to optimize the energy performance and avoid wasted storage and generation capacity. It incorporates sustainable transaction governance and conservation strategies to mitigate, supply overload, and minimize CO₂ emission intensity. A smart multi-criteria decision-making (MCDM) procedure with abnormality detection ensure real-time operation and long-term energy-emission nexus management. The framework is validated through a case study in Vietnam, demonstrating a 62.25 % reduction in electricity shortages, an 85.1 % improvement in storage capacity, and a 21.5 % increase in CCS-driven emission restriction. The system regenerates 0.72 kWh of electricity from captured CO₂ emission, achieving a robust reliability rate of 0.71 and a consumer satisfaction score of 0.81 with high economic energy rate of 0.05. The proposed strategies effectively optimize energy distribution and CO₂ emission reduction, contributing to enhanced energy efficiency, sustainability, and resilience in emerging economies.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"214 ","pages":"Article 115551"},"PeriodicalIF":16.3,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Industrial solid wastes as carbonatable binders for abating CO2 emission","authors":"Canyu Lv ,&nbsp;Zhichao Liu ,&nbsp;Fazhou Wang ,&nbsp;Shuguang Hu","doi":"10.1016/j.rser.2025.115557","DOIUrl":"10.1016/j.rser.2025.115557","url":null,"abstract":"<div><div>The rapid increase in industrial solid wastes (ISW) worldwide poses significant challenges for waste management, with landfilling proving insufficient. ISW utilization offers a promising route for valorizing the stockpiled and freshly produced solid wastes from various industries. This review examines the potential of alkaline ISWs, enriched in calcium silicate minerals, calcium hydroxide, and magnesia, to transform CO₂ into building products. Key ISWs with high carbonation reactivity and cementing properties include steel slag, magnesium slag, yellow phosphorous slag, and calcium-silica slag. A comprehensive understanding of phase formation mechanisms and composition characteristics during the pyrometallurgical processes of these ISWs is provided. Their properties are further summarized, highlighting the impact of the different properties on the applications, with steel and magnesium slags showing better prospects in a comprehensive view. The current status of applications is reviewed, highlighting several building products that have been developed to hold promises for commercial applications. Current application status is also reviewed along with two cases of application using steel slag and magnesium slag to make building products on the pilot and industrial scales. This review aims to contribute to the development of sustainable building materials and effective waste management solutions, thereby promoting industrial symbiosis and reducing environmental impacts.</div></div>","PeriodicalId":418,"journal":{"name":"Renewable and Sustainable Energy Reviews","volume":"214 ","pages":"Article 115557"},"PeriodicalIF":16.3,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Boron-Embedded Cluster Superlattices on Graphene on Ir(111)","authors":"Stefan Schulte, Tobias Hartl, Catherine Grover, Alexei Preobrajenski, Jan Knudsen, Thomas Michely","doi":"10.1021/acs.jpcc.4c07844","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c07844","url":null,"abstract":"Cluster superlattice membranes constitute a novel 2D material, comprising a cluster superlattice sandwiched between a graphene support and an amorphous carbon embedding matrix. They offer a platform for investigating phenomena at the few atom to small cluster level with lateral averaging techniques. The amorphous carbon matrix provides mechanical and thermal stability to the cluster array, but alternative and nonconductive embedding materials are being sought. Such alternative embedding materials might, for instance, be advantageous for use in catalytic reactions and the exploration of charge transport in a cluster array. Here, the embedding of iridium and platinum cluster superlattices in elemental boron is characterized by scanning tunneling microscopy and X-ray photoelectron spectroscopy. The embedding in B preserves the superlattice order and provides mechanical stability comparable to that of amorphous C while maintaining thermal stability with the cluster superlattice order preserved up to 650 K.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"36 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143526211","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}