The Journal of Physical Chemistry C最新文献

{"title":"Friction Mechanisms of γ-Al2O3 Under Nanoindentation–Scratch Coupling: A Deep Neural Network Potential Approach","authors":"Zhenyu Bu, Xiaoqin Zhao, Yiyang Wei, Lili Dong, Yulong An, Huidi Zhou","doi":"10.1021/acs.jpcc.5c04118","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04118","url":null,"abstract":"This study constructs and validates a deep neural network potential with quantum-level accuracy for γ-Al₂O₃, achieving root-mean-square errors of 1.2 meV/atom for energy and 19 meV/Å for force. Based on this potential, nanoindentation-scratch simulations at three indentation depths are performed to investigate the evolution of elasticity, creep, and viscoplasticity. Hertzian fitting yields an elastic modulus of 317.4–322.4 GPa, which closely agrees with experimental measurements. Frictional analysis reveals that the normal force stabilizes into a plateau, while the friction coefficient exhibits a nonlinear increase, governed respectively by the real contact area and the atomic-scale shear strength spectrum. The normalized load Π = <i>F</i>_f/<i>N</i>_c indicates that the mean interfacial shear strength remains nearly constant with depth, whereas the amplitude of its fluctuations increases by a factor of 3. These findings elucidate the synergistic roles of contact area control and shear spectrum broadening in ceramic interfacial friction, providing quantitative guidance for friction reduction strategies that integrate surface texturing and interfacial chemistry, and establishing a computational foundation for large-scale data-driven materials design.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"26 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145288976","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":"Magnetic and Electronic Properties in Ruddlesden–Popper Lanthanum Nickelates from First-Principles Calculations","authors":"Yiren Liu, Zhijie Liu, Dehe Zhang, Jun-Ming Liu, Yurong Yang","doi":"10.1021/acs.jpcc.5c04276","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04276","url":null,"abstract":"The bilayer Ruddlesden–Popper (RP) nickelate La₃Ni₂O₇ has been reported to exhibit a high superconducting transition temperature of approximately 80 K under pressure. Furthermore, different kinds of RP nickelates with long-range structural order have been synthesized. Here, by performing first-principles calculations, we systematically investigate the magnetic and electronic properties of RP lanthanum nickelates, including La₂NiO₄ (stacked with a monolayer of NiO₆ blocks, LNO-11), La₂NiO₄·La₃Ni₂O₇ (stacked with a monolayer and a bilayer of NiO₆ blocks, LNO-12), La₃Ni₂O₇ (stacked with a monolayer and a trilayer of NiO₆ blocks, LNO-13) and bilayer La₃Ni₂O₇ (stacked with a bilayer of NiO₆ blocks, LNO-22). Our results show that the magnetic coupling and electronic structure in the constituent layers of the RP structure are dependent on the thickness of the constituent layers. The magnetic coupling in the constituent layers displays an antiferromagnetic (AFM) to ferromagnetic (FM) transition with the increase of the thickness of the constituent layers. The constituent monolayer in LNO-11, LNO-12, and LNO-13 shows an AFM order. The constituent bilayer with charge ordering of Ni²⁺ and Ni³⁺ in LNO-12 and LNO-22 displays a stripe order. The constituent trilayer in LNO-13 exhibits a ferromagnetic coupling. Furthermore, the electronic structures of RP nickelate show an insulator–metal transition with the increase of the thickness of the constituent bilayer. LNO-11, LNO-12, and LNO-22 with charge ordering of Ni²⁺ and Ni³⁺ are insulating, while LNO-22 without charge ordering and LNO-13 become metallic. Our work potentially provides insight into the mechanism of superconductivity and a theoretical reference for studying mixed-stacked nickelate superconductors.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"58 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145288982","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":"Modeling the Inversion of Buckybowls on Graphynes for Shape-Complementary Catalysis","authors":"Anto James, Rotti Srinivasamurthy Swathi","doi":"10.1021/acs.jpcc.5c05297","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05297","url":null,"abstract":"Given the ubiquity of surface characterization techniques in recent years, shape-complementary catalysis that induces molecular reorganization on surfaces has attracted significant attention. Herein, we investigate the bowl-to-bowl inversion of buckybowls (corannulene, acecorannulylene, semibuckminsterfullerene, and acenaphtho[3,2,1,8-cdefg]benzo[5,6]-<i>as</i>-indaceno[3,2,1,8,7-mnopqr]chrysene (TWB)) adsorbed on graphene and γ-graphyne (γ-GY) membranes using atomistic potential modeling. The inversion profiles are characterized using the nudged elastic band approach, wherein intramolecular interactions are modeled using the COMPASS force field, and intermolecular interactions are described by an improved Lennard–Jones potential. The extent of shape-complementary catalysis is largely governed by the strength of the van der Waals interactions between the buckybowls and the substrates. Notably, the inversion barrier of corannulene is reduced from 9.2 kcal/mol in the gas phase to 5.86, 7.34, and 7.70 kcal/mol when bound to graphene, γ-GY-1, and γ-GY-2, respectively. For TWB, the inversion barrier follows the same trend and decreases from 122.65 to 101.33 kcal/mol upon graphene binding. The catalytic effectiveness of the investigated carbon membranes is governed by their carbon densities (graphene &gt; γ-GY-1 &gt; γ-GY-2). However, in the case of semibuckminsterfullerene, the porous nature of γ-GYs plays an important role in catalytic activity via partial accommodation of the twisted architecture of intermediate and transition states, resulting in a 35% reduction in the inversion barrier in γ-GY-2, highlighting porosity as a design parameter in shape-complementary catalysis. Our empirical methodology, validated against density functional theory for selected systems, offers a computationally efficient alternative to electronic structure methods for capturing inversion kinetics. These findings highlight the potential of GYs as tunable catalysts for molecular rearrangements and provide a practical framework for assessing surface-mediated catalysis.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"9 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289159","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":"Nonvolatile Rashba Effect via Ferroelectric Switching in the GeSb/α-In2Se3 Heterostructure: Implications for Spintronics and Spin-Caloritronics","authors":"Nilakantha Tripathy, Mohd Faizee, Abir De Sarkar","doi":"10.1021/acs.jpcc.5c03830","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c03830","url":null,"abstract":"Ferroelectric (FE) Rashba semiconductors represent a burgeoning class of multifunctional materials with immense potential for next-generation spintronic and spin-caloritronic applications. In this work, we present a comprehensive first-principles investigation of the GeSb/α-In₂Se₃ van der Waals (vdW) heterostructure, focusing on the interplay among FE polarization, interfacial charge transfer, and spin-dependent electronic properties. The intrinsic FE polarization of α-In₂Se₃ in the heterostructure enables reversible modulation of Rashba spin splitting (RSS) and spin transport behavior. Under upward polarization (P↑), RSS emerges at the Γ point of the conduction band with a large Rashba coefficient of 1.32 eV Å, displaying a conventional spin texture. Conversely, downward polarization (P↓) shifts the RSS to the valence band, yielding a Rashba coefficient of 0.93 eV Å with an unconventional spin texture. This polarization-dependent reconfiguration of the band structure is driven by interfacial charge redistribution, which amplifies the internal electric field and spin–orbit coupling effects. Moreover, both spin Hall conductivity and spin Nernst conductivity exhibit strong tunability with FE switching and Fermi level adjustment, enabling efficient control over spin transport phenomena. Our results reveal the GeSb/α-In₂Se₃ heterostructure as a promising candidate for multifunctional device applications, including nonvolatile memory, advanced logic circuits, spintronics, and spin-caloritronics.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"2 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145288981","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":"Visualization of Synthesis-Dependent Trapped Charge Carrier Behavior in BiVO4 and Its Relation to the Performance","authors":"Yuki Nakatsukasa, Kenji Katayama","doi":"10.1021/acs.jpcc.5c05132","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05132","url":null,"abstract":"Understanding charge carrier dynamics is crucial for optimizing the performance of BiVO₄-based photoanodes used in solar water splitting. In this study, we investigated the spatiotemporal behavior of charge carriers in BiVO₄ films synthesized by three distinct methods: electrodeposition (ED), hydrothermal decomposition (HT), and metal–organic decomposition (MOD). Using patterned-illumination time-resolved phase microscopy (PI–PM), we selectively visualized trapped charge carriers with micrometer spatial resolution and nanosecond-to-millisecond temporal behavior. Clustering analyses based on time-resolved refractive index changes allowed us to differentiate between electron and hole dynamics across the samples. The ED sample showed electron accumulation dominance at the surface and the highest charge separation efficiency, consistent with its strong (040) facet growth. The MOD sample exhibited superior hole injection efficiency due to its fine-grained morphology, while the HT sample provided a balanced performance with moderate charge separation and transfer efficiencies. These findings demonstrate that the synthetic method has a pronounced impact on charge carrier behavior and interfacial processes.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"1 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289023","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":"Low Ferroelectric Switching Barriers and Stacking-Insensitive Electronic Structures in CrX2 (X = S, Se, Te) Bilayers Enabled by Weak Interlayer Coupling","authors":"Zhibo Yao, Yachao Liu, Tongxing Zheng, Jiang Liu, Wanli Jia, Vei Wang","doi":"10.1021/acs.jpcc.5c04939","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c04939","url":null,"abstract":"Two-dimensional (2D) ferroelectrics are highly promising for next-generation nonvolatile memory and low-power nanoelectronic devices, owing to their atomic-scale thickness and tunable polarization. Among these, sliding ferroelectricity in artificially stacked nonpolar 2D materials offers a versatile route to achieve switchable polarization across a broad class of layered systems. Here, using first-principles calculations combined with a semiempirical van der Waals (vdW) dispersion correction, we systematically investigated the electronic structure and sliding ferroelectricity of CrX₂ (X = S, Se, Te) bilayers. We uncover a cooperative control mechanism, where the increasing atomic radius and decreasing electronegativity of the chalcogen element (X) jointly modulate both the out-of-plane vdW interactions and the in-plane Cr-3<i>d</i>/X-<i>p</i>_<i>z</i> orbital hybridization. This interplay leads to a dramatic reduction in the polarization switching barrier from 5.47 to 0.18 meV per unit cell as well as a concurrent decrease in out-of-plane polarization from 0.61 pC/m to 0.02 pC/m as X changes from S to Te, primarily driven by weakened interlayer coupling. Moreover, the electronic structures and elastic constants of CrX₂ bilayers remain largely insensitive to stacking configuration, further corroborating the weak interlayer interactions. In the most stable BA stacking, the band gap exhibits a clear elemental dependence, systematically decreasing from 1.44 eV (CrS₂) to 1.05 eV (CrTe₂). These findings highlight a critical synergistic effect between elemental composition and interlayer coupling in modulating 2D ferroelectricity, offering fundamental design principles for future high-density, low-power memory and logic devices.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"40 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289022","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":"CNT Coalescence within CNT Fibers via Ultraviolet Pulsed Laser Annealing","authors":"Zachary T. Piontkowski, Zoe A. Lipton, Simranjit Grewal, Anthony E. McDonald, Mitchell A. Trafford, Wyatt L. Hodges, Emma Y−S Chu, Matteo Pasquali, Michael P. Siegal, Simeon J. Gilbert, Rachel I. Martin","doi":"10.1021/acs.jpcc.5c05657","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05657","url":null,"abstract":"Carbon nanotube fibers (CNTFs), composed of numerous aligned CNTs, show promise for a range of industries and applications based on the extraordinary thermal and electrical conductivities of individual CNTs. However, poor interfacial junctions between adjacent CNTs hinder phonon and electron transport, resulting in CNTFs with significantly lower conductivities than individual CNTs. Coalescing smaller-diameter CNTs into larger-diameter CNTs may create a more integrated network with reduced junction resistances, thereby improving interfacial junctions and, thus, transport properties. In this work, we employ ultraviolet pulsed laser annealing (UV-PLA) for targeted heating of CNTFs to induce coalescence. Raman spectroscopy is used to quantify CNT coalescence by analyzing radial breathing modes (RBMs), and the G- (graphitic) and D- (disordered) peaks. Our findings indicate that CNT coalescence can be induced within microseconds using UV-PLA. UV-PLA-coalesced CNTFs were shown to have exceptional thermal conductivities of up to 777 W/mK and electrical conductivities of up to 13.4 MS/m, after redoping.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"91 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289024","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":"Direct Deoxygenation of Phenol over Fe-Based Bimetallic Surfaces Using On-the-Fly Surrogate Models","authors":"Isaac Onyango, Qiang Zhu","doi":"10.1021/acs.jpcc.5c05436","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05436","url":null,"abstract":"We present an accelerated nudged elastic band (NEB) study of phenol direct deoxygenation (DDO) on Fe-based bimetallic surfaces using a recently developed Gaussian process regression (GPR) calculator. Our test calculations demonstrate that the GPR calculator achieves up to 3 times speedup compared to conventional density functional theory calculations while maintaining high accuracy, with energy barrier errors below 0.015 eV. Using GPR-NEB, we systematically examine the DDO mechanism on pure Fe(110) and surfaces modified with Co and Ni in both top and subsurface layers. Our results show that subsurface Co and Ni substitutions preserve favorable thermodynamics and kinetics for both C–O bond cleavage and C–H bond formation, comparable to those on the pure Fe(110) surface. In contrast, top-layer substitutions generally increase the C–O bond cleavage barrier, render the step endothermic, and result in significantly higher reverse reaction rates, making DDO unfavorable on these surfaces. This work demonstrates the effectiveness of GRR-accelerated transition state searches for complex surface reactions and provides insights into rational design of bimetallic catalysts for selective deoxygenation.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"1 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289025","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":"Diameter Control and Optical Properties of CsPbBr3 Nanowires Based on the Oleylamine–Octylamine System","authors":"Yi Wu, Zhangwei Guo, Zhuolu Li, Song Wang, Jiaxin Rui, Zhaogang Teng, Lihong Qi, Kai Pan","doi":"10.1021/acs.jpcc.5c05950","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05950","url":null,"abstract":"Metal halide perovskites (MHPs) have emerged as prominent materials in optoelectronics due to their exceptional photoelectric conversion efficiency and tunable band structures. Traditional perovskite nanocrystal synthesis systems often employ oleic acid (OA) to accelerate the crystallization kinetics, which inadvertently hinders nanowire growth and morphology control. In this study, we adopted a dual-ligand system using oleylamine (OAm) and octylamine (OctAm) without preadding OA. By postinjecting a cesium oleate solution, we achieved precise control over Pb²⁺ ion release, enabling the controllable synthesis of cesium lead halide (CsPbBr₃) nanowires (NWs) across 100–160 °C. This strategy yielded micrometer-scale NWs with tunable diameters (8.3–12.6 nm) and lengths reaching the microscale. Temperature-dependent optical studies revealed that elevated synthesis temperatures weakened quantum confinement effects, leading to systematic red-shifts in ultraviolet–visible (UV–vis) absorption (505–507 nm) and photoluminescence (PL) emission (516–518 nm) peaks. Concurrently, time-resolved PL measurements revealed a significant enhancement in carrier lifetime (24.72–91.99 ns), reflecting reduced nonradiative recombination pathways. Variable-temperature PL spectroscopy (80–300 K) demonstrates that CsPbBr₃ NWs synthesized at 140 °C exhibit higher exciton binding energy (<i>E</i>_b = 44.7 meV) and enhanced exciton–phonon coupling strength (Γ_OP = 46.48 meV) compared to samples prepared at 120 °C. These findings demonstrate that high-temperature synthesis confers superior thermal stability on CsPbBr₃ NWs. Our work not only clarifies the critical role of amine ligands in modulating NW growth dynamics but also provides a robust framework for designing stable, high-performance, one-dimensional perovskite optoelectronic materials.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"102 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289028","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":"Joint Theoretical and Experimental Study of the Electronic, Magnetic, and Lattice Phonon Dynamics Properties of CaxFeyOz Compounds Applied to CO2 Capture","authors":"Yueh-Lin Lee, Marcos F. Gómez-Olivos, Chiara Bruzzi, Caroline Delcroix, Heriberto Pfeiffer, Yuhua Duan","doi":"10.1021/acs.jpcc.5c05278","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05278","url":null,"abstract":"Unleashing energy innovation ensures a resilient and reliable energy supply. There is a critical need for the development of new carbon dioxide (CO₂) captors that have improved energy efficiency accompanied by lower capital and operational costs to ensure abundant, affordable, and secure energy. Among solid materials, CaO is a good CO₂ sorbent for capture technology due to its wide availability and low cost. However, CaO also suffers from some disadvantages, such as high calcination temperature, decreasing capability due to sintering, attrition, and reaction with SO_<i>x</i> and NO_<i>x</i>. In this study, we employed an <i>ab initio</i> thermodynamic approach and experimental measurements to improve its CO₂ capture performance during the cycles. To do so, we explored the electronic, magnetic, and lattice dynamic properties of a series of calcium ferrites (Ca_<i>x</i>Fe_<i>y</i>O_<i>z</i>) and applied them for CO₂ capture. Our results showed that all of them can thermodynamically react with CO₂ to form CaCO₃ and iron oxides. Compared to pure CaO capturing CO₂, CaFe₃O₄, CaFe₂O₄, and Ca₂Fe₂O₅ could shift the CO₂ regeneration temperature to a lower range. The experimental measurements showed that CaFeO₂ is a good CO₂ captor with or without the presence of an O₂ presence. The calculated thermodynamic properties of Ca_<i>x</i>Fe_<i>y</i>O_<i>z</i> capturing the CO₂ reactions can be used to find their operational temperature ranges for different CO₂ capture technologies.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"53 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145289182","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}