The Journal of Physical Chemistry C最新文献

{"title":"Rapid Prediction of Average Intercalation Potential and Formation Energy of Decoupling Water-Splitting Buffer Electrode Materials Based on Machine Learning","authors":"Yi Zhao, Yuchen Dong, Qingyun Chen, Xiangjiu Guan, Liejin Guo","doi":"10.1021/acs.jpcc.5c00035","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00035","url":null,"abstract":"Ion battery materials are applied as decoupled water-splitting buffer electrodes, enabling the temporal and spatial separation of hydrogen and oxygen production. However, developing materials based on experimental trial-and-error methods has been time-consuming and resource-intensive. Given that the average potential and average intercalation potential of ion battery materials contribute to the selection of solid-state redox mediators for decoupled water-splitting, we developed an integrated method combining high-throughput first-principles calculations and deep learning models to efficiently and accurately predict materials suitable for decoupled water-splitting buffer electrodes. A data set containing intercalation potential and formation energy entries, computed using density functional theory (DFT), was created. Machine learning models were trained on this data set, and the most influential features were identified through relevant interpretability frameworks. The analysis revealed that the mean electronegativity of elements was a key factor affecting the average intercalation potential, while the range of electronegativity exhibited a more complex influence on the formation energy. Using the developed model, the time required to determine the average intercalation potential was reduced to 1000th of that needed by traditional DFT methods. These findings highlight critical factors influencing material properties, offering valuable guidance for material design and significantly accelerating the initial screening process.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"109 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143672785","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":"Experimental Relaxation Volume of Al Impurity in Si(Al) Thermomigrated Structures","authors":"Andrey A. Lomov, Alexander Yu. Belov, Vasily I. Punegov, Boris M. Seredin, Sergey G. Simakin","doi":"10.1021/acs.jpcc.4c08382","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c08382","url":null,"abstract":"Temperature gradient zone melting, employing local dissolution on metal dopants, is a versatile technology capable of producing heavily doped regions (through narrow <i>p</i>-channels, silicon matrices of 3D architectures, etc.) in semiconductors utilized in power high-voltage electronic devices. This approach was applied to fabricate a model Si(Al) structure with uniform distribution of both Al impurity and strains, which is suitable for studies of Al solubility. Using a combination of X-ray Bragg’s diffraction and secondary ion mass spectroscopy, we established that with temperature gradient zone melting at <i>T</i> = 1350 K, the solubility of Al in solid silicon was 0.95 × 10¹⁹ at/cm³ that differs from the value of 1.95 × 10¹⁹ at/cm³ expected from the previously published data, which is used in the physical chemistry of semiconductors. A reason for this may be the high level of intrinsic stresses, increasing the Gibbs energy of the solid Al–Si phase, or some additional factors, which were not taken into account in the previous electrical measurements. Here, we performed a precise experimental determination of the microscopic parameters (strain coefficient, relaxation volume, and dipole tensor) of Al impurity in Si, which describe the effect of the intrinsic stress on the Gibbs energy of the solid Al–Si phase. In addition, these parameters allow the determination of the value of the impurity content from the X-ray diffraction data. It was found that Al in a substitutional position gives rise to the lattice strain coefficient β of 1.54 × 10^–24 cm³. First-principles density functional calculations were performed for the Al atom in the substitutional position in Si. The results clarify the effect of the defect size and electronic strain on the lattice strain coefficient. The practical impact of this study is the development of the technique of nondestructive diagnostics of heavily doped semiconductor structures with intrinsic stresses.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"37 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666434","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":"Insight Into the Impacting Mechanism of Cocatalysts on Electrochemical Potential and PEC Activity of BiVO4 Photoelectrode","authors":"Sen Zhao, Zhiguo Yuan, Fuhao Liu, Zeyan Wang, Guanggang Gao, Junpeng Wang","doi":"10.1021/acs.jpcc.5c00417","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00417","url":null,"abstract":"Although some cobalt compounds, especially Co-Pi, have been widely studied as cocatalysts for BiVO₄ in photoelectrochemical water splitting, there is still a lack of in-depth understanding of why these cocatalysts work and what kind of catalyst works. Here, we compared the structure changes of several cobalt compounds during the PEC process by in situ Raman and XPS spectra and found that the amorphous structure of Co-Pi allows it to contain a large number of cobalt ions with different valence states inside by changing its structure and coordination. It makes Co-Pi behave like redox couples, which can regulate the Fermi level of BiVO₄. Under illumination, with the generation of high valence cobalt ions in Co-Pi, the hole quasi-Fermi level of BiVO₄ is correspondingly pinned at a more anodic E_f-redox level. This improves the electrode’s photovoltage and carrier transport efficiency and makes it easier for the photoelectrode to meet the thermodynamic conditions of the OER reaction. We validated this conclusion using various cobalt and nickel compounds and proposed corresponding models. This provides a valuable reference in the selection and design of cocatalysts for different photoelectrodes and catalytic reactions.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"35 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666465","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":"Unravelling the Mechanism of Cluster-Triggered Emission in Carboxy Nanocellulose and Modulation through the Conjugation of Plasmonic Nanoparticles for Analyte Detection","authors":"Ashish Kumar Dhillon, Sanmitra Barman, Soumik Siddhanta","doi":"10.1021/acs.jpcc.5c00192","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00192","url":null,"abstract":"Cluster-triggered emission (CTE) by through-space interactions (TSIs) in nonaromatic and nonconjugated molecular systems gathered remarkable interest recently due to the possibility of creating white light emissive diodes with cost-effective and environmentally friendly materials and methods. Cellulose nanocrystals (CNC), obtained in an environmentally friendly way from agricultural wastes such as rice and wheat straws, were explored to understand the mechanism of CTE by TSI in varying experimental conditions such as pH, solvent, concentration, and excitation light wavelength. We have also explored the effect of CTE of CNC in the presence of plasmonic nanoparticles such as Ag. Moreover, efforts were made to justify the experimental observations with theory, especially the energy gap between the valence and the conduction bands in the clustered states of CNC and the possibility of intra- and intermolecular n····n and n····π* interactions. Lastly, we have shown clustered carboxy cellulose nanocrystals (cCNC) as a novel material for the fluorescence-based detection of uric acid with a micromolar detection limit.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"198 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666593","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":"Insights into Heteroatom Doping on Iron-Based Catalyst Supported on Asphalt-Derived Carbon for Peroxymonosulfate Activation in Tetracycline Degradation","authors":"Yunying Wang, Rongji Li, Yun Liu","doi":"10.1021/acs.jpcc.5c00553","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00553","url":null,"abstract":"To investigate the role of heteroatoms (N, B, S, and P) doping in activating peroxymonosulfate (PMS) for the degradation of tetracycline (TC) using iron-based catalysts, 10 different Fe-based catalysts supported on asphalt-derived carbon were synthesized. Activity tests showed that doping with B, N, and S enhanced PMS activation for TC degradation, with B and N exhibiting the highest degradation efficiency. In contrast, P doping impaired the catalyst’s ability to activate PMS, resulting in a marked decrease in TC degradation performance. To further explore the inhibitory effect of P doping, three representative catalysts─Fe@C, Fe@C–N–B, and Fe@C–N–B-P─were characterized using various techniques. These included TEM, HAADF-STEM, XRD, XPS, BET, FTIR, and ICP-MS. The results revealed that P doping significantly altered the structural properties of the catalyst, which, in turn, impaired the adsorption behavior of TC. Further investigation using electron paramagnetic resonance and reactive oxygen species scavenging experiments showed that P doping notably suppressed the generation and contribution of key radicals, •OH and SO₄•^–, which are primarily responsible for TC degradation, thereby hindering the catalytic process. Electrochemical performance also demonstrated that P doping obstructed electron transfer between the catalyst and PMS, further diminishing catalytic efficiency. Additionally, experiments were conducted to examine the effects of various parameters on TC degradation, as well as the recyclability and practical applicability of Fe@C–N–B. The toxicity of TC degradation products was also assessed. These findings offer valuable insights into the substantial impact of heteroatom doping on the catalytic performance in PMS activation for the degradation of TC.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"22 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666470","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":"Phase Coexistence, Dual Transitions, Itinerant Magnetism, and Universal Critical Behavior of Ni-Substituted Mn(Co–Fe)Ge","authors":"Gowrinaidu Babbadi, Sateesh Pinninti, Akhilesh Kumar Patel, Ramesh Gandikota, Subhadra Maringanti, S. Shanmukharao Samatham, Shravan Kumar Reddy Somireddy, P. D. Babu, Suresh Gopinathwarrier Krishnawarrier","doi":"10.1021/acs.jpcc.4c08331","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c08331","url":null,"abstract":"Comprehensive magnetic behavior of the Ni-substituted ferromagnetic Mn(Co–Fe)Ge Heusler alloy is reported using the combined analysis of temperature and field-dependent magnetization. Mn_0.5Ni_0.5Co_0.7Fe_0.3Ge crystallizes in a Ni₂In-type hexagonal structure and undergoes two magnetic transitions at 138.8 K (paramagnetic to ferromagnetic) and 21.2 K (ferromagnetic to antiferro/canted spin). Frequency-independent peaks of the ac-susceptibility χ_ac(<i>T</i>) rule out glass behavior at low temperatures. Coexistence of high-<i>T</i> ferromagnetic and low-<i>T</i> weak antiferromagnetic phases is confirmed by the suppression of the zero-field cooled peak at 21.2 K in field-cooled magnetization and virgin <i>M</i>–<i>H</i> curve lying out of the hysteresis loop at 5 K. The critical exponents estimated through modified Arrott plots and Kouvel–Fisher methods, critical isotherm fitting are self-consistent and exchange correlation function <i>J</i>(<i>r</i>) propound three-dimensional Heisenberg universality class and short-range spin–spin interactions. Notwithstanding, the conformity test displays not-so-well-scaled renormalized Arrott plots (m² versus h/m) below and above <i>T</i>_C, asserting weak first-order phase transition from high-<i>T</i> ferromagnetic to low-<i>T</i> antiferromagnetic state with feeble magnetic phase coexistence. Overall, dual transitions with contrasting magnetic character, short-range interactions, itinerant behavior, perceptible difference between Weiss and magnetic transition temperatures, virgin curve lying outside the envelope, and renormalized Arrott plots advise competing localized 3d Ni–Mn interactions with Co–Ge–Fe-hybridized s-p and s-d orbitals lead itinerant states. This study emphasizes the importance of critical exponent analysis of systems that exhibit feeble phase coexistence to unveil their underlying magnetic interactions.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"56 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143660943","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":"Accelerated Discovery of Solid-State Electrolytes Using Bayesian Optimization","authors":"Sherif Abdulkader Tawfik, Julian Berk, Tiffany R. Walsh, Santu Rana, Svetha Venkatesh","doi":"10.1021/acs.jpcc.5c00954","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00954","url":null,"abstract":"Current lithium batteries do not fully meet the longevity and safety requirements of electric vehicles. Novel solid-state lithium-ion batteries could be a compelling solution to these problems. In this work, we unravel some of these new materials with potentially high lithium conductivity by using a Bayesian optimization approach. This involves exploring the material space for new solid-state electrolyte materials with the objective of maximizing lithium diffusivity. The materials selected by the Bayesian optimization algorithm are then examined using ab initio molecular dynamics to estimate their diffusion energy barrier. We establish that the materials are electronic insulators, a requirement in electrolyte materials, by computing the electronic bandgaps of each of the selected materials using a hybrid exchange method and then examine the stability of the materials at the lithium metal anode interface by computing the crystal decomposition energies. Out of the selected materials, we find that Li₃YBr₆ has a reasonably low diffusion barrier, a high bandgap, and is potentially the most stable material at the lithium metal interface. In addition to introducing stable and high-diffusivity solid-state electrolyte materials, our work presents a material discovery method that can be applied to a broad range of applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"7 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143660945","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":"Exploring the Intricacies of Glycerol Hydrodeoxygenation on Copper Surface: A Comprehensive Investigation with the Aid of Machine Learning Force Field","authors":"Srishti Gupta, Ajin Rajan, Edvin Fako, Tiago J. Goncalves, Imke B. Müller, Jithin John Varghese, Ansgar Schäfer, Sandip De","doi":"10.1021/acs.jpcc.5c00302","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00302","url":null,"abstract":"The utilization of biomass for feedstock chemicals often relies on transforming hydroxyl-containing molecules. One such example is glycerol, which can undergo a selective hydrodeoxygenation reaction to produce propanediol, a valuable chemical precursor. Hence, glycerol’s hydrodeoxygenation reaction combines immediate industrial application with the foundation of fundamental research into the reaction class relevant for sustainable feedstock. Given the complex nature of large organic molecules, most modeling work in heterogeneous catalysis focuses on the reactivity of small (C1–2) organics exclusively. Glycerol, characterized by its C3-backbone, has 75 distinct gas-phase conformers with energy variation up to 0.1 eV (<contrib-group><span>Callam, C. S.</span></contrib-group> <cite><i>J. Am. Chem. Soc.</i></cite> <span>2001</span>, <em>123</em>, 11743–11754). When considering its 11 reactive bonds (C–O, C–H, and O–H), the modeling of glycerol’s reactivity spans an extensive conformational and reactive space. High computational costs of density functional theory simulations restrict exhaustive exploration of the factorial reaction space, leading to limited insights into the hydrodeoxygenation (HDO) mechanism and hindering rational catalyst design. Therefore, to date, there is no systematic study focusing on comprehensively sampling the energetics of surface conformers of glycerol and their reactivity. In this study, we employ a message-passing graph neural network architecture (MACE) to develop a machine-learned force-field (MLFF) potential, incorporating active learning to investigate the impact of conformational complexity on the reaction network of glycerol HDO on a Cu(111) surface. Following five iterations, our trained MLFF model accurately predicts surface bound structures with a root-mean-square accuracy of 0.04 eV (&lt;0.6 meV/atom total energy), essential to accurately determine conformational minima of 24 metastable and 26 intermediate states along seven competitive pathways. Conformational sampling uncovers the intricate nature of the complex energy landscape, where conformers with multiple shallow minima lead to nontrivial trends in the transition state energies connecting them. Notably, the investigations predict lower activation barriers for O–H bond scissions of glycerol structures with α- and γ-backbone as compared to β-backbone. This is significant in the case of scission of secondary O–H glycerol bonds where the activation barrier varies up to 0.44 eV depending upon the initial glycerol structure motif. Altogether, we identify dehydrogenation–dehydration–hydrogenation as the dominant pathway resulting in PDO formation on the Cu(111) surface. The selectivity of glyceraldehyde toward C–H bond scission over C–OH bond scission explains the higher selectivity of 1,2-PDO over 1,3-PDO.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"214 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666469","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":"Plasma-Assisted Partial Methane Oxidation. Part I: One-Dimensional Statistical Modeling of a Dielectric Barrier Discharge Reactor","authors":"Mohamed Saadana, Zeina Al Zayed, Hanen Oueslati, Nicolas Barléon, Vincent Robin, Élodie Fourré, Catherine Batiot-Dupeyrat, Sylvie Rossignol","doi":"10.1021/acs.jpcc.4c06369","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c06369","url":null,"abstract":"This paper presents an original one-dimensional statistical model designed to complement experimental data from a practical dielectric barrier discharge (DBD) reactor. The experimental setup consists of a plasma-assisted reactor with gas injection composed solely of CH₄ and O₂. The numerical procedure uses electrical measurements to provide a realistic description of the power consumption and the current flowing through the gas, in a complex scenario where approximately one hundred current peaks are measured per electrical half-period. A plasma kinetic model is then used to analyze the chemistry and characteristic times of both isolated discharges and a representative train of discharges occurring within the reactor. These times are used to optimize the computational costs and to select the most appropriate kinetic schemes for the gas phase, whether in a plasma or quasi-thermodynamic equilibrium state. This approach also allows the separation of fast transformations (plasma) occurring at constant volume, from slower transformations occurring at constant pressure. The statistical approach, based on a Monte Carlo method, clearly identifies the assumptions required to reduce the real complexity of the DBD reactor to a 1D flow model. The combination of chromatographic measurements at the reactor outlet and numerical simulations provides the heterogeneity factor of the discharges, which is identified as a key parameter in the model. Although the flow can be considered stationary on average, the obtained value reveals a highly heterogeneous spatial distribution of the discharges within the reactor. Thus, the numerical results suggest that the gases passing through the reactor are rarely in a plasma state.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"728 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666468","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":"Role of Electron–Phonon Interaction in Phase Transition of Zr-Substituted BaTiO3","authors":"Kailash Kumar, Ansh Dabkara, Payal Ratnawat, Omkar V. Rambadey, Pankaj R. Sagdeo","doi":"10.1021/acs.jpcc.5c00377","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c00377","url":null,"abstract":"The tetragonal to cubic phase transition in BaTiO₃ is a critical phenomenon, as it marks the ferroelectric to paraelectric transition. This study investigates the effects of zirconium substitution on the vibrational mode and phase transition behavior of BaTiO₃ crystal lattice through Raman spectroscopy. A series of Ba(Ti,Zr)O₃ compositions were analyzed and the results indicate that Zr substitutions alter the phonon dynamics and reduce the Ti-site distortion. The Raman spectra of Ba(Ti,Zr)O₃ compositions display distinctive features that correlate with the progression of the phase transition, highlighting the sensitivity of this technique to dopant-driven modifications of the local structure. Thus, this work highlights the potential of Raman spectroscopy as a powerful tool for probing structural transformations and provides a new understanding of the role of electron–phonon coupling-driven phase transition in Zr-substituted BaTiO₃. The results are supported by the theoretical Fano formulation and calculation of Helmholtz free energy for Zr-substituted BaTiO₃.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"42 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143661059","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}