The Journal of Physical Chemistry C最新文献

{"title":"Decoding Diluent-Driven Solvation Dynamics in Locally Concentrated Ionic Liquid Electrolytes","authors":"Shanjida Akter, Afira Mariam, Minhong Lim, Hongkyung Lee, Seungho Choe","doi":"10.1021/acs.jpcc.5c00550","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00550","url":null,"abstract":"The interplay between lithium salts and anions critically influences the electrochemical and physicochemical properties of locally concentrated ionic liquid electrolytes (LCILEs), a promising class of materials for next-generation lithium-ion batteries. Here, we investigate how varying diluent concentrations modulate lithium–anion interactions, ion dynamics, and transport properties in LCILEs. Using molecular dynamics (MD) simulations combined with density functional theory (DFT) calculations, we show that incorporating 1,1,2,2-tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether (TTE) as a diluent minimally perturbs the solvation structure while effectively weakening Li⁺–anion interactions and promoting ionic dissociation. Adjusting the lithium salt-to-ionic liquid (IL) ratio alters the coordination environment of bis(fluorosulfonyl)imide anions (FSI^–). It reduces the presence of pyrrolidinium cations in the lithium solvation shell. Beyond solvation effects, we further demonstrate that introducing lithium hexafluorophosphate (LiPF₆) enhances ionic conductivity and increases the lithium-ion diffusion coefficient. By systematically exploring the impacts of diluent concentration and ionic additives, our theoretical framework offers molecular-level insights into how electrolyte composition influences lithium-ion mobility and interfacial stability, key factors in designing high-performance electrolytes for next-generation energy storage systems.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"3 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289026","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":"Oxygen Vacancy-Rich CuOx/BiVO4 Heterojunction Engineering with Optimized Charge Separation for High-Efficiency Solar-Driven Photocatalysis","authors":"Yaru Peng, Fan Kong, Jie Ren, Junhao Cai, Lei Xu, Min Jia","doi":"10.1021/acs.jpcc.5c06179","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c06179","url":null,"abstract":"Oxygen vacancies, as critical lattice defects, demonstrate remarkable advantages in photocatalysis by optimizing electron transport and electrochemical properties, promoting charge separation, and enhancing surface reactivity to improve the photocatalytic performance. Furthermore, the construction of band-aligned heterostructures serves as a vital strategy for optimizing carrier dynamics and boosting light absorption. Herein, a facile H₂O₂-mediated synthesis strategy was employed to fabricate oxygen vacancy-rich CuO_<i>x</i>/BiVO₄ (CuO_<i>x</i>/BVO) heterojunction photocatalysts. CuO_<i>x</i> nanoparticles with abundant oxygen vacancies were successfully loaded onto BVO to form a defective type-II heterojunction. Characterization results revealed that the CuO_<i>x</i>/BVO composite exhibited enhanced visible-light absorption, improved charge separation efficiency, and accelerated surface reaction kinetics. Under simulated sunlight, photogenerated holes and electrons migrated to the CuO_<i>x</i> and BVO interfaces, participating in oxidation and reduction reactions. The optimized CuO_<i>x</i>-3/BVO composite achieved a 4.7-fold higher photocatalytic degradation efficiency for Rhodamine B compared to that of pristine BVO, while maintaining excellent stability over six cycles. This work provides valuable insights for designing defect-engineered heterojunctions in advanced photocatalytic applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"25 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289029","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":"Hexagonal Cadmium Sulfide Cathode for Aqueous Zinc-Ion Battery: Study of Zinc-Sulfide Formation and Zn/CdS Battery Stability","authors":"Dhanaraj S. Nilegave, Gulistan Y. Shaikh, Aman R. Pathan, Swapnil S. Girawale, Shivkumar R. Newaskar, Smita Chaturvedi, Vijay Jadhav, Harish Dubey","doi":"10.1021/acs.jpcc.5c04055","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04055","url":null,"abstract":"We report facile coprecipitation synthesis of binary chalcogenide cadmium sulfide (CdS), which has been used as an efficient cathode for aqueous zinc-ion batteries. Pure phase hexagonal CdS was synthesized using an alkaline pH-based coprecipitation method. Structural properties, electronic properties and morphological and electrochemical analysis of the single electrodes’ &amp; Zn/CdS cell performance were studied using relevant state-of-the-art techniques. Determination of the compatibility of the cathode CdS with the Zn anode was carried out by band alignment of the cathode CdS and anode Zn, which was studied by cyclic voltammetric analysis. The high operating potential of 1.45 was obtained for the Zn/CdS system, during the discharge formation of ZnS, which occurs at the cathode because of the Zn²⁺ cation intercalation. The bond formation and cohesive forces were studied by the Born–Haber approach and the generalized Kapustinskii equation explaining the formation of Zn–S bonds. The galvanostatic charge–discharge (GCD) cyclic performance analysis was carried out for the Zn/CdS system with a high capacity of ∼159 mAh/g.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"5 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289027","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":"High Selectivity for Sustainable Aviation Fuel with Low CO2 Emissions Using SBA-16-Supported Iron Catalysts in Fischer–Tropsch Synthesis","authors":"Diogo de Sá da Silva, Hídila Souza Teixeira da Silva, Gabriel Garcia Silva, Dalber Ruben Sanchez Candela, Ricardo Reis Soares","doi":"10.1021/acs.jpcc.5c05491","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05491","url":null,"abstract":"This study investigates innovative SBA-16-supported iron (Fe) catalysts for the selective production of sustainable aviation fuel (SAF) via Fischer–Tropsch synthesis. Iron loadings of 10, 20, and 30 wt % were evaluated, with potassium (K) and manganese (Mn) as promoters in the CO hydrogenation reaction. The catalyst with 20 wt % Fe exhibited reduced metal–support interaction and prevented pore blockage, enhancing catalytic performance. Notably, the addition of 1 wt % Mn to the 20Fe/SBA-16 catalyst significantly increased selectivity for sustainable aviation fuel (C₈–C₁₈ hydrocarbons) from 45% to 55%, while reducing CO₂ formation from 8% to 4% and CH₄ production from 11% to 8%. This improvement was attributed to the enhanced formation of Hägg carbide, a highly active site for Fischer–Tropsch synthesis. In contrast, 1 wt % K promotion intensified the water–gas shift reaction, increasing CO₂ formation from 8% to 14%. The optimized 1Mn-20Fe/SBA-16 catalyst demonstrated outstanding performance for SAF production with lower carbonaceous byproducts (e.g., CO₂ and CH₄). These findings underscore the potential of SBA-16-supported catalysts in advancing sustainable biofuel technologies.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"119 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145283365","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":"Multifunctional Properties of CrFeScPb and CrFeYPb Heusler Compounds: A DFT-Based Perspective","authors":"L. Boughlima, A. Jabar, L. Bahmad, L. B. Drissi, R. Ahl Laamara, A. Benyoussef","doi":"10.1021/acs.jpcc.5c05548","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05548","url":null,"abstract":"We report a first-principles study of the structural, electronic, magnetic, mechanical, thermodynamic, and optical properties of the quaternary Heusler alloys CrFeScPb and CrFeYPb using Density Functional Theory (DFT) with a modified Becke–Johnson (mBJ) potential. Both compounds are half-metallic with metallic behavior in the spin-up channel and semiconducting behavior in the spin-down channel with indirect gaps of 0.453 eV (CrFeScPb) and 0.409 eV (CrFeYPb). Their spinel-type magnetic moments and full spin polarization demonstrate a spintronic potential. Mechanical investigations determine CrFeScPb to be hard and brittle, while CrFeYPb is ductile. Their thermodynamic stability is realized under extensive temperature and pressure ranges, with a higher thermal resistance of CrFeScPb and higher compressibility of CrFeYPb. Stronger UV–visible absorption observed in the optical findings, particularly for CrFeYPb, demotes optoelectronics and magneto-optics applications. These findings highlight the multifunctionality potential of these alloys for spintronic, thermoelectric, and photonic devices.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"38 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261426","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 Study of Novel Two-Dimensional Conductive Metal–Organic Frameworks TM3(HAT)2 as Promising Electrocatalysts for CO2 Reduction","authors":"Yang Zheng, Yanan Zhou, Wenhua Zhang, Jinlong Yang","doi":"10.1021/acs.jpcc.5c03826","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c03826","url":null,"abstract":"It is vital to search for efficient CO₂ reduction reaction (CO₂RR) electrocatalysts for synthesizing value-added targeted products. In this work, by using density functional theory (DFT) calculations, we systematically investigated the electrocatalytic CO₂RR performance of the novel two-dimensional (2D) conductive metal–organic framework (MOF) TM₃(HAT)₂ monolayers (TM = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu; HAT = 1,4,5,8,9,12-hexaazatriphenylene). The CO₂RR catalytic activity of the designed catalysts is highly correlated with the <i>d</i>-electron number of TM active sites. Co₃(HAT)₂ is found to be the most promising CO₂RR catalyst with a calculated limiting potential (<i>U</i>_L) value of −0.23 V for the CH₄ product, followed by Ni₃(HAT)₂ toward both the CH₄ and CH₃OH products (<i>U</i>_L = −0.34 V). Moreover, the thermodynamic and electrochemical stability simulations suggest that the screened-out Co₃(HAT)₂ and Ni₃(HAT)₂ with high activity are also with good stability. Importantly, these two catalysts could inhibit the competitive hydrogen evolution reaction, further demonstrating their high activity and selectivity for the CO₂RR. The results not only contribute to the search for efficient CO₂RR electrocatalysts that are used in high-value fuels but also shed light on the opportunities to explore electrochemical applications based on 2D conductive MOFs.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"154 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261268","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":"Bridging Text Mining and Quantum Simulations for the Design of 2D Monochalcogenide Materials","authors":"Mateus B. P. Querne, Marco A. M. T. Machado, Ronaldo C. Prati, Natan M. Regis, Matheus P. Lima, Juarez L. F. Da Silva","doi":"10.1021/acs.jpcc.5c04625","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04625","url":null,"abstract":"The formulation of a structured framework dedicated to the systematic review of the literature, identification of potential compounds, theoretical quantum chemistry characterization, and assessment of the significance of stability descriptors is essential for accelerating the discovery of two-dimensional materials for technological applications. In this work, we selected the two-dimensional monochalcogenides (MQ), which have attracted increased interest due to their potential applications in future devices, as prototype materials for the present investigation. Our framework started with a natural language processing analysis of more than 5400 articles, revealing a growing research interest in the two-dimensional MQ compounds, especially in electronics, energy, and fundamental studies. This led to the selection of 27 diverse MQ compounds across 13 distinct two-dimensional structural phases for density functional theory calculations, resulting in an extensive database of physicochemical properties. We evaluated formation enthalpies, uncovering clear stability trends (e.g., stability declines with heavier chalcogens, dynamic robustness of GeSe), and evaluated equilibrium lattice parameters, noting predictable expansions and significant anisotropies. Bader charge analysis offered insights into charge-transfer and ionicity trends. Our electronic structure analysis identified band gaps (direct or indirect, depending on the M element group and the weight of the chalcogen) and optical absorption anisotropies significantly influenced by crystal symmetry and spin orbit coupling. Importantly, band alignment calculations classified all possible heterojunctions as type I, II, or III, underscoring their extensive potential for future optoelectronic device development. Additionally, we incorporated machine learning, using a random forest approach, along with our density functional theory calculations to accurately forecast trends in energetic properties. This analysis identified the electronic charge as a highly significant stability descriptor among the 34 descriptors, underscoring its importance for future machine learning endeavors. Hence, this study offers a streamlined framework for the characterization and discovery of promising two-dimensional materials, highlighting the synergy between data-driven analysis and quantum-based simulations.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"135 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145283366","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":"Structure–Property Analysis of Bimetallic Plasmonic Nanoparticles Using Correlative Optical and Electron Microscopy","authors":"Kishan S. Menghrajani, Fergus McLaren, Stefan A. Maier, Murali Sastry","doi":"10.1021/acs.jpcc.5c04578","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04578","url":null,"abstract":"Bimetallic plasmonic nanomaterials offer unique opportunities for tailoring optical and catalytic functionality through controlling the composition and structure. Their performance arises from the interplay between a plasmonic host metal and a functional secondary component, yet disentangling how alloying and morphology influence their optical response remains challenging, particularly when their optical properties are commonly measured on the bulk scale. Here, we present a systematic single-particle study of Ag and AgPt nanoparticles (NPs) with varying shapes and platinum contents, all measured under identical conditions on a single carbon-coated TEM grid. Using a correlative imaging approach that integrates dark-field microscopy, single-particle scattering spectroscopy, scanning transmission electron microscopy (STEM), and energy-dispersive X-ray spectroscopy (EDS), we directly link structural and compositional features to optical behavior at the individual particle level. Our data set includes Ag and Ag_1–<i>x</i>Pt_<i>x</i> (<i>x</i> = 0.02, 0.035, and 0.1) nanospheres, nanodiscs, and triangular nanoparticles (TNPs), with the AgPt NPs synthesized via galvanic replacement. The same-grid configuration enables a one-to-one tracking of particle identity across optical and structural modalities, thereby avoiding artifacts from sample-to-sample variability. We observe composition- and geometry-dependent changes in plasmonic response, confirmed by finite element method (FEM) simulations, which demonstrate how alloying and morphology modulate optical scattering. This work establishes a robust and accessible framework for resolving structure–property relationships in bimetallic plasmonic nanostructures in the context of energy conversion applications. By enabling controlled comparative measurements across compositions and morphologies, our approach provides insights into nanoscale plasmonic tuning and supports the rational design of next-generation bimetallic materials.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"72 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261373","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":"Increased Defect Resistance and Ordering in MnBi2(Se1–xTex)4 via Accurate Diffusion Monte Carlo","authors":"Kayahan Saritas, Fernando A. Reboredo","doi":"10.1021/acs.jpcc.5c04299","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04299","url":null,"abstract":"Stabilizing materials and controlling defect formation remain key challenges in materials science, particularly for theory, where small energy differences must be resolved for accurate predictions. We applied state-of-the-art theoretical methods to topological materials, focusing on MnBi₂Te₄ (MBT), which is a promising intrinsic magnetic topological insulator. Antisite defects in MBT alter its electronic structure and magnetism, degrading topological properties and causing experimental inconsistencies. Using diffusion Monte Carlo and density functional theory, we investigated the thermodynamic stability and defect formation in MBT, MnBi₂Se₄ (MBS), and MnBi₂(Se_1–<i>x</i>Te_<i>x</i>)₄. We found that MnBi₂Se₂Te₂ can be stable at finite temperatures, with higher defect formation energies due to stronger Mn–Se bonding and reduced internal strain. Se preferentially substitutes Te near Mn instead of Te in the outer layer, encouraging long-range ordering when incorporated. For MnBi₂(Se_1–<i>x</i>Te_<i>x</i>)₄, cluster expansion phase diagrams revealed solid solution behavior when <i>x</i> &lt;0.5 and phase separation for larger <i>x</i>. MBT and MBS are topological insulators; therefore, the MnBi₂(Se_1–<i>x</i>Te_<i>x</i>)₄ family could offer tunable topological behavior and improved stability.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"42 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247384","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":"Investigation of the Effect of Framework Flexibility on CO2 Adsorption in SIFSIX-3-Cu Using a Machine-Learned Force Field","authors":"John M. Findley, Laine Roper, David S. Sholl, Janice A. Steckel","doi":"10.1021/acs.jpcc.5c05096","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05096","url":null,"abstract":"Metal–organic frameworks (MOFs) offer promise as selective CO₂ sorbents, but successful MOF sorbent materials need high CO₂ binding affinity and selectivity for CO₂ over water. This work focuses on the use of machine-learned force fields (MLFFs) to model CO₂ adsorption in flexible MOFs, with a focus on SIFSIX-3-Cu, an anion-pillared MOF known for its high CO₂ affinity. A preliminary high-throughput screening of over 900 anion-pillared MOFs was performed using rigid UFF+DDEC6 force fields to predict zero-loading heats of adsorption for CO₂ and H₂O. SIFSIX-3-Cu was selected for further computational study due to its predicted CO₂ heat of adsorption and experimental relevance. A DeePMD-based MLFF was trained to reproduce DFT (PBE+D3) energies and forces, with an iterative sampling scheme combining molecular dynamics, geometry optimization, random geometric insertion, and NVT Monte Carlo-based configuration generation to capture both attractive and repulsive regions of the potential energy surface. Flexibility of the MOF was explicitly included, contrasting with previous models that approximated the MOF as rigid. Hybrid Monte Carlo/molecular dynamics (MC/MD) simulations with the MLFF produced CO₂ adsorption isotherms in good agreement with experimental data at direct air capture (DAC) pressures (e.g., 40 Pa), in contrast to previous overestimations of CO₂ sorption by models with rigid structures. Bond and angle histogram analysis showed that MOF flexibility increased the variance of fluorine–fluorine diagonal distances at adsorption sites, resulting in a lower predicted sorption for flexible, asymmetric SIFSIX-3-Cu pore geometries compared to the rigid, symmetric DFT-optimized SIFSIX-3-Cu pore geometry. A detailed description of flexibility afforded by the MLFF resulted in an accurately predicted CO₂ uptake (0.88 mmol/g) at low pressure (40 Pa) compared to the experimentally measured value (1.24 mmol/g). These results underscore the importance of including framework flexibility when modeling adsorption phenomena in MOFs, particularly for low-pressure applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"471 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261270","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}