The Journal of Physical Chemistry C最新文献

{"title":"The Pore-Branching Channels of Porous Anodic Alumina Formed in an Alkaline Solution of Potassium Phosphate","authors":"Xi Chen, Jiahao Wang, Xinyu Pang, Jiaying Hu, Yi Zhuang, Hao Qiu, Ye Song, Xufei Zhu","doi":"10.1021/acs.jpcc.5c01312","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c01312","url":null,"abstract":"In this study, the anodizing processes of aluminum in oxalic acid solution (pH ≈0.98) and alkaline aqueous solution (pH ≈12.86) were compared. The channels of porous anodic alumina (PAA) obtained from the two electrolytes were characterized by FESEM. The pore-branching channels of PAA were obtained by anodizing aluminum in an alkaline aqueous solution of potassium phosphate. The pore-branching channels of PAA cannot be clarified by the acidic field-assisted dissolution theory (FADT). In this article, the formation mechanism of PAA under alkaline conditions is explained by the oxide viscous flow model around the oxygen bubble model and electronic current theory. The pore diameter of porous anodic alumina formed in potassium phosphate electrolyte (≈90 nm) is larger than that formed in oxalic acid conditions (≈25 nm) because there are two oxygen bubbles at the large bottom, which is conducive to the formation of pore-branching channels.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"21 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067275","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":"Engineering the Structure and Optical Properties of Gold Nanostars with Microfluidics","authors":"Sruthy Sanjeev Ambady, Rahaf Mihyar, Rui Zhang, Mattia Tiboni, Alessio Pricci, Sven Thoröe-Boveleth, Luca Casettari, Fabian Kiessling, Josbert M. Metselaar, Twan Lammers, Roger M. Pallares","doi":"10.1021/acs.jpcc.5c02395","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c02395","url":null,"abstract":"Gold nanostars (AuNS) are anisotropic gold nanoparticles with structure-tunable optical properties. Most synthetic protocols rely on multistep procedures and on the use of cytotoxic and/or strongly bound chemicals, which can hamper AuNS applications. While the synthesis of AuNS with HEPES overcomes these limitations by using a biocompatible buffer that acts as both a shape-directing and a reducing agent, the resulting nanoparticles are highly heterogeneous and polydisperse. In this paper, we use a microfluidic chip to manipulate the morphology and optical properties of AuNS, while significantly improving their monodispersity. Notably, by adjusting microfluidic parameters, including viscosity of the organic phase, flow rate ratio, and buffer-to-gold ratio, this protocol can manipulate the growth mechanism of the nanoparticles, switching between seedless and seed-mediated-like growth, and it does so without the need to add a presynthesized seed. Such control is not possible with one-pot bench synthesis. Our results provide new opportunities to tailor the growth and formation of gold nanoparticles while significantly improving their monodispersity.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"29 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067276","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":"Correction to “Energies of Formation Reactions Measured for Adsorbates on Late Transition Metal Surfaces”","authors":"Trent L. Silbaugh, Charles T. Campbell","doi":"10.1021/acs.jpcc.5c02944","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c02944","url":null,"abstract":"The two changes listed below should be made on these two entries in Table 1, Table 2 and Table S1. Reaction 56: The coverage here is listed as 1/3. That is not correct. It should be changed to 1/5. Reaction 76: The adsorbed product “═CH–CH₃/Pt(111)” is incorrect as written. That should be changed to “≡C–CH₃/Pt(111)”. Corrected Supporting Information is published with this Correction. The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpcc.5c02944. Lists of enthalpies and energies of reactions used to calculate average values reported in Table 1 and enthalpies of formation and heat capacities of gas-phase species used in making Table 2 from the data in Table 1 (PDF) Correction to “Energies\u0000of Formation Reactions\u0000Measured for Adsorbates on Late Transition Metal Surfaces” <span> 2 </span><span> views </span> <span> 0 </span><span> shares </span> <span> 0 </span><span> downloads </span> Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html. This article has not yet been cited by other publications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"1 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067278","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":"Theoretical Raman Study of In-Plane Spin–Phonon Coupling in a CrCl3 Monolayer","authors":"Leilei Zhu, Xiongzhi Zeng, Haiwen Luo, Honghui Shang, Zhenyu Li","doi":"10.1021/acs.jpcc.5c02709","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c02709","url":null,"abstract":"Raman spectroscopy is a crucial technique for characterizing two-dimensional (2D) magnetic materials, offering valuable insights into their structural and magnetic properties. This method is particularly significant in the study of chromium trichloride (CrCl₃), a material that has garnered considerable attention due to its unique magnetic behavior. In this study, by considering only the nearest neighbor exchange interactions, we systematically investigated the magnetic Raman response of 2D CrCl₃ and observed a notable frequency shift of approximately 20 cm^–1 in the E_g² Raman peak across different magnetic configurations. This shift is primarily attributed to spin–phonon coupling, thereby providing a reliable means to distinguish between various magnetic configurations. The E_g² Raman peak is associated with the collective vibrations of Cr and Cl atoms, with Cr atoms playing a dominant role in the observed differences between magnetic configurations. Even when considering more complex magnetic configurations, such as including next-nearest and third-nearest neighbor interactions, nearest neighbor exchange interactions remain the most significant. This predominance allows the E_g² peak to be effectively interpreted as a superposition of simpler magnetic configurations. Additionally, we explored the effects of external strain and carrier doping on the Raman spectrum of 2D CrCl₃. Under external biaxial strain, the E_g² peak exhibits anomalous frequency shifts. Electron doping significantly influences the Raman spectra, whereas hole doping has only minimal effects. Importantly, the in-plane spin–phonon coupling remains largely unaffected by variations in crystal thickness, crystal phase, or interlayer magnetic interactions. These findings enhance our understanding of the intrinsic spin–phonon coupling in CrCl₃ and establish a robust foundation for exploring and engineering the magnetic properties of 2D materials.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"125 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144066128","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":"Harmonizing Adsorption and Diffusion in Active Learning Campaigns of Gas Separations in a MOF","authors":"Etinosa Osaro, Matthew LaCapra, Yamil J. Colón","doi":"10.1021/acs.jpcc.5c00922","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00922","url":null,"abstract":"This study establishes an active learning (AL) framework designed to enhance the prediction of selectivity in the metal–organic framework (MOF) CuBTC by addressing the adsorption and diffusion mechanisms essential for gas separation applications. Traditional methods of predicting gas selectivity across broad pressure, temperature, and composition (PTX) conditions face considerable computational demands, particularly when simulating both adsorption and diffusion in porous materials. We tackled this challenge by integrating Gaussian Process (GP) models with grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations, applying AL to iteratively select data points exclusively based on the highest model uncertainty (emphasizing exploration), and others schemes, to systematically improve prediction accuracy across diverse conditions. We evaluated several AL strategies tailored to two distinct molecular-level phenomena involved in gas separations: adsorption and diffusion. Specifically, adsorption-based selectivity prediction methods employed AL to preferentially select data points characterized by high uncertainty in adsorption predictions. In contrast, diffusion-based selectivity prediction methods directed AL toward regions exhibiting high uncertainty in diffusion predictions. These approaches included direct prediction of selectivity as well as propagation-based methods, where selectivity uncertainty was calculated from individual component uncertainties in adsorption or diffusion predictions. The culmination of this exploration is an end-to-end (E2E) framework that integrates adsorption and diffusion modeling within a single AL-driven data-labeling process. In this framework, uncertainty in either adsorption or diffusion predictions guides data selection, enabling more precise model training across adsorption and diffusion. Results indicate that the diffusion-focused E2E scheme yields the highest predictive accuracy and a more efficient process. This approach minimizes redundant sampling and improves the efficiency of data acquisition across adsorption and diffusion models.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"232 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144066121","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":"Thermal and Structural Characterization of PS/ZnO Nanocomposites: Effects of ZnO Concentration on Dispersion, Thermal Stability, and Degradation Kinetics","authors":"A. Rahimli, A. Huseynova, E. Gasimov, M. Jafarov","doi":"10.1021/acs.jpcc.5c01303","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c01303","url":null,"abstract":"This study investigates the thermal and structural properties of polystyrene PS/ZnO nanocomposites with varying zinc oxide (ZnO) concentrations (1, 5, and 10%) using TEM, AFM, X-ray diffraction (XRD), Raman spectroscopy, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and thermal kinetic analysis. TEM images reveal well-dispersed ZnO nanoparticles with sizes ranging from 5 to 20 nm, indicating a good compatibility between ZnO and PS. AFM analysis shows surface roughness variations with the height distribution ranging from 80 to 100 nm, aligning with the observed ZnO dispersion. XRD patterns confirm ZnO incorporation, with characteristic peaks at 31.71, 34.53, 36.26°, and others becoming more prominent with higher ZnO content. Thermal analysis reveals a clear dependence of peak temperature (<i>T</i>_p) on heating rate, with a notable increase in <i>T</i>_p from 430.5 to 457.6 °C as the heating rate increases from 20 to 30 °C/min. The Kissinger method shows activation energy values ranging from 59.16 to 55.77 kJ/mol, indicating stable thermal degradation, while the Arrhenius method yields slightly lower activation energies ranging from 37.85 to 39.84 kJ/mol, reflecting the material’s sensitivity to heating rate changes. Overall, the PS/ZnO nanocomposites exhibit enhanced thermal stability, showing potential for applications requiring high thermal resistance.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"30 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144066126","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":"Device Performance Improvement of WSe2 Phototransistors Incorporated with CsPbI3 Perovskite Quantum Dots","authors":"Qian Zhao, Jiale Niu, Xiaolong Liu, Sizhe Chen, Ning Ding, Heng Yang, Jiajun Deng, Wenjie Wang, Fangchao Lu","doi":"10.1021/acs.jpcc.5c00600","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00600","url":null,"abstract":"Phototransistors that integrate WSe₂ with CsPbI₃ quantum dots are fabricated to combine the merits of both materials in photo detecting performances. The hybrid devices demonstrate a substantially enhanced photoresponsivity, reaching up to 10.38 A/W, an appreciable specific detectivity of 7.78 × 10¹¹ Jones, and an external quantum efficiency of 2.43 × 10³%. Moreover, the hybridization of the quantum dots does not show any lagging in the photoresponse of the WSe₂ devices. To explore the carrier migration in the hybrid structure, we investigated two mechanisms, namely, the direct charge transfer in the photogating effect and the exciton transfer mediated by the Förster resonance energy transfer (FRET) process. The time-resolved photoluminescence (TRPL) spectroscopy is used to analyze the proportion of these mechanisms. The results reveal that the FRET mechanism, which leads to a short fluorescence lifetime in TRPL, dominates the photoresponse in the device. As more layers of quantum dots are spin-coated on WSe₂, the photogating effect, which corresponds to a longer fluorescence lifetime, becomes more manifested and consequently delays the photoresponse of the device. This study demonstrates a promising design of a photodetector that combines high responsivity with rapid response speed, through the introduction of quantum dots with high photo absorption, and the FRET mechanism in the heterostructure.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"4 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067320","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":"New Measurement Method for Weak Magnetic Fields Using Magnetically Induced Deformation of Chemical Bonds in Co-CsPbBr3 Quantum Dots","authors":"Yanyan Zhang, Yuan Zhang, Yong Pan","doi":"10.1021/acs.jpcc.5c00180","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00180","url":null,"abstract":"The research on weak magnetic field detection is of great significance in advancing the development of bioscience, aerospace, chip manufacturing, and other fields. However, weak magnetic detection still faces some problems, including the small size of the detectors and the limited detection scale. To contribute to the detection of weak magnetic fields, the Co-CsPbBr₃ colloidal quantum dots composite magnetic material was synthesized on the basis of the theory of room temperature ferromagnetism, molecular polarization, and the vibration level of chemical bonds. The synthesis involved mixing Co²⁺ into CsPbBr₃, an all-inorganic perovskite with activated ions. Subsequently, a weak magnetic field measurement system was devised, comprising working medium samples and a vibration level detection optical path. Following the acquisition, comparison, processing, and analysis of multiple data sets, a Stokes displacement function model was established under different magnetic field sizes, and the weak magnetic field intensity range of Pitsla (pT) was measured. The Pitsla weak magnetic field measurement system proposed in this paper provides a reference for the development of noncontact weak magnetic measurement methods and for the advancement of intelligent and low-dimensional weak signal measurement applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"59 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144000620","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":"Confined Growth of Boron Nitride Nanotubes Enabled by Varying Mg-to-Al Ratios in a MgAl2O4 Catalyst","authors":"Wentao Zheng, Zhengyang Zhou, Kai Zhang, Ying Wang, Qian He, Nanyang Wang, Liyun Wu, Yagang Yao","doi":"10.1021/acs.jpcc.5c01085","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c01085","url":null,"abstract":"Currently, the synthesis of boron nitride nanotubes (BNNTs) based on gaseous reactions results in the dispersion of the products throughout the reaction chamber, posing challenges for collection and follow-up applications. For this reason, this work selects MgAl₂O₄ as the catalyst and achieves the confined growth of BNNTs. Subsequent replacement of the catalyst with Mg(NO₃)₂ and Al(NO₃)₃ further revealed that the key lies in the Mg-to-Al ratio. The confined growth was recreated when it matched the stoichiometry of MgAl₂O₄; otherwise, it resulted in floating growth; i.e., a large number of nanotubes were collected by the substrate above the precursor. This means that controlled switching between confined growth and floating growth of BNNTs was achieved by manipulating the Mg-to-Al ratio. This not only verifies the role of MgAl₂O₄ in confined growth but also provides a solid foundation for possible fixed-point growth and opens up new possibilities for low-cost and large-scale production of BNNTs.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"16 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144066015","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":"Electron–Phonon Temperature Inversion in Nanostructures under Pulsed Photoexcitation","authors":"Qian Ye, Stephen K. Sanders, Andrea Schirato, Alessandro Alabastri","doi":"10.1021/acs.jpcc.5c00465","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00465","url":null,"abstract":"Photoexcitation of metallic nanostructures with short optical pulses can drive nonthermal electronic states, which, upon decay, lead to elevated electronic temperatures (<i>T_e</i> ≳ 1000 K), eventually equilibrating with the lattice (<i>T</i>_<i>p</i>) through electron–phonon scattering. Here, we show that in spatially extended nanostructures the lattice temperature can locally exceed that of the electrons, a seemingly counterintuitive transient effect, termed hereafter “temperature inversion” (<i>T</i>_<i>p</i> &gt; <i>T</i>_<i>e</i>). This phenomenon, fundamentally due to inhomogeneous absorption patterns and absent in smaller particles, emerges from a complex spatiotemporal interplay between the electron–phonon coupling and competing electronic thermal diffusion. By combining rigorous three-dimensional (3D) finite-element-method-based simulations with practical reduced analytical models, we identify the electron–phonon coupling coefficient (<i>G</i>_{<i>e</i>–<i>p</i>}) as the critical parameter governing this behavior. An optimal <i>G</i>_{<i>e</i>–<i>p</i>} range allows inversion, whereas a weak or overly strong coupling suppresses it. Among common plasmonic metals, platinum exhibits the most pronounced and long-lived inversion, while gold and silver show no significant inversion. Moreover, the close agreement between the analytical model and 3D results, once an appropriate characteristic length is selected, highlights that the essential physics governing the inversion can be captured without full spatial complexity. These results provide insights for optimizing nanoscale energy transfer and hot-carrier-driven processes, guiding the strategic design of materials, geometries, and excitation conditions for enhanced ultrafast photothermal control.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"30 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144000626","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}