Physical Chemistry Chemical Physics最新文献

{"title":"Framework for designing main-group single-molecule magnets","authors":"Akseli Mansikkamäki, Anand Chekkottu Parambil","doi":"10.1039/d4cp04790g","DOIUrl":"https://doi.org/10.1039/d4cp04790g","url":null,"abstract":"Single-molecule magnets (SMMs) are molecular entities with strongly anisotropic magnetic moment. As a result, SMMs display slow relaxation of magnetization at the macroscopic scale. Up to date all experimentally characterized SMMs are based on either d- or f-block metals with lanthanides proving to be the most successful. In the present work, a framework for constructing SMMs consisting purely of main-group elements will be outlined by computational and theoretical means. The proposed main-group SMMs utilize the strong spin-orbit coupling of a single heavy p-block atom or ion that can lead to strong magnetic anisotropy and pronounced SMM properties. A theoretical crystal-field model is developed to describe the magnetic properties of p-block SMMs with a minimal set of parameters related to the chemical structure of the SMMs. The model is used to establish which p-block elements and oxidation states can lead to SMM behavior. A large number of model structures are studied to establish general features of optimal chemical structures. These include one- and two-coordinate structures involving ligands with different coordination modes and all group 13 to 17 elements in periods 4 to 6. The results show that the most viable structures are based on mono-coordinated complexes of bismuth in oxidation state 0 with σ-donor ligands. Structures with bulkier ligands that sterically protect the bismuth atom are then proposed as a starting point for the practical realization of main-group SMMs. The calculations show that minimizing the anagostic interactions with the bismuth atom is essential in the ligand design, which along with the low oxidation state of bismuth introduces significant synthetic challenges The results do, however, show that main-group SMMs are plausible from a practical point of view within a limited set of heavier p-block elements in specific oxidation states. Furthermore, the proposed SMMs display much larger energy barriers for the relaxation of magnetization than even the best lanthanide-based SMMs do. This indicates that it is possible that main-group SMMs can supersede even the best currently known SMMs based on d- or f-block element","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"12 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443851","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":"Ligand-mediated interaction in a dispersion of lead-halide perovskite nanocubes: implications on directed structures in equilibrium","authors":"Avik Sasmal, Edwine Tendong, Tanusri Saha-Dasgupta, Jaydeb Chakrabarti","doi":"10.1039/d4cp04012k","DOIUrl":"https://doi.org/10.1039/d4cp04012k","url":null,"abstract":"Motivated by the experimental reports on the formation of ordered nano-structures of ligand-dressed Cs–Pb-halide nanoparticles, employing a combination of density functional theory, molecular dynamics, metadynamics and Monte Carlo simulation techniques, we investigate the microscopic mechanism driving such structures. Our rigorous studies focused on CsPbBr<small>₃</small> nanoparticles take into account the realistic situation in terms of different synthesis conditions. In particular, Br vacancies, the neutral and charged forms of ligands, and the presence of a variety of solvents of different polarities are considered. Our work establishes the crucial role of electrostatics driving preferential matching of facets paving the way to the formation of directed structures. In particular, the importance of Br vacancies, the polarity of solvents, and the preference for slightly alkaline synthesis conditions are highlighted. The microscopic understanding thus provided will be useful in designing targeted nano-structures.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"81 4 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443853","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 Coinage Bonding Interactions in [Au(CN)₄]⁻ Assemblies with Silver and Zinc Complexes: A Structural and Theoretical Study","authors":"Alessia Giordana, Emanuele Priola, Ghodrat Mahmoudi, Esmail Doustkhah, Rosa Maria Gomila, Ennio Zangrando, Eliano Diana, Lorenza Operti, Antonio Frontera","doi":"10.1039/d4cp04818k","DOIUrl":"https://doi.org/10.1039/d4cp04818k","url":null,"abstract":"This study investigates the non-covalent interactions between [Au(CN)₄]⁻ anions and silver and zinc complexes, with a particular focus on coinage bonding interactions. Four new complexes, [Ag2(pyNP)2][Au(CN)4]2(1) [Zn(bipy)3][Au(CN)4]2 (2), [Zn(phen)3][Au(CN)4]2 (3) and [Zn(terpy)(H2O)3][Au(CN)4]2 (4), were synthesized and spectroscopically characterized, including their X-ray solid state structures, where pyNP is (2-(2-pyridyl)-1,8-naphthyridine, bipy is 2,2′ bipyridine, phen is 1,10’-phenantrolyne and terpy is terpyridine. The [Au(CN)₄]⁻ anion exhibits unique anion···anion interactions, despite the electrostatic repulsion, forming stable 1D supramolecular polymers in the solid state. Using a combination of X-ray crystallography and DFT calculations, this work characterizes the coordination and non-covalent bonding modes, including Au···N coinage bonds. Energy decomposition analysis (EDA), QTAIM, and NCIplot methods were applied to understand the energetics and bonding nature. The study reveals that electrostatic and dispersion forces play critical roles in stabilizing these assemblies, especially in the formation of π-stacking and T-shaped dimers. These findings offer insights into the design of new materials leveraging coinage bonding in molecular architectures.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"25 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143462605","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":"Optimizing Cation-π Force-fields for Molecular Dynamics Studies of Competitive Solvation in Conjugated Organosulfur Polymers for Lithium-Sulfur Batteries","authors":"Diptesh Gayen, Yannik Schütze, Sebastien Groh, Joachim Dzubiella","doi":"10.1039/d4cp04484c","DOIUrl":"https://doi.org/10.1039/d4cp04484c","url":null,"abstract":"Lithium-sulfur (Li/S) batteries are emerging as a next-generation energy storage technology due to their high theoretical energy density and cost-effectiveness. $pi$-conjugated organosulfur polymers, such as poly(4-(thiophene-3-yl)benzenethiol) (PTBT), have shown promise in overcoming challenges such as the polysulfide shuttle effect by providing a conductive framework and enabling sulfur copolymerization. In these cathodes, cation-$pi$ interactions significantly influence Li$^+$ diffusion and storage properties in $pi$-conjugated cathodes, but classical OPLS-AA force fields fail to capture these effects. This study employs a bottom-up approach based on density functional theory (DFT) to optimize the nonbonded interaction parameters (OPLS-AA/corr.), particularly for the Li$^+$-$pi$ interactions with the PTBT polymer. Following prior work, we used an ion-induced dipole potential to model the cation-$pi$ interactions. The impact of the solvent on the PTBT monomers was examined by computing the potential of mean force (PMF) between PTBT monomers and Li$^{+}$ ions in both explicit and implicit solvents using the Boltzmann inversion of probability distributions close to room temperature. In the implicit solvent case, the magnitude of the binding free energy decreased with increasing dielectric constant, as the dominant electrostatics scaled with the dielectric constant. In contrast, in the explicit solvent case, considering the mixtures of change{organic} solvent DME and DOL, the binding free energy shows minimal dependence on solvent composition due to the competing interaction of TBT and Li$^{+}$ with the solvent molecules. However, increasing salt concentration decreases the binding free energy due to Debye-Hückel screening effects. In general, this work suggests that the optimized parameters can be widely used in the simulation of polymers in electrolytes for the Li/S battery to enhance the representation of cation-$pi$ interactions for a fixed charge force field.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"64 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435128","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of the Biphenylene Nanoribbon by Compressing the Biphenylene under Extreme Conditions","authors":"Zilin Zhao, Guangwei Che, Fang Li, Yunfan Fei, Hao Luo, Puyi Lang, Qingchao Zeng, Hongcun Bai, Yajie Wang, Ho-Kwang Mao, Haiyan Zheng, Kuo Li","doi":"10.1039/d5cp00083a","DOIUrl":"https://doi.org/10.1039/d5cp00083a","url":null,"abstract":"Nonbenzenoid graphenenanoribbons like biphenylene network has gained increasing attention due to its promising electronic and transport properties, but their scalable synthesis is still a huge challenge. Pressure-induced topochemical polymerization is an effective method to assemble the molecular units into extended carbon materials, and the structure and properties of the carbon material can be tuned by modifying the molecular precursors. Here, by directly compressing biphenylene at room temperature, we successfully synthesized crystalline biphenylene nanoribbon in milligram-scale. By combining the spectroscopy and single crystal X-ray diffraction methods as well as theoretical calculation, we found biphenylene experiences a minor phase transition above 3 GPa and two phenyls in biphenylene undergo sequential para-polymerization along the a-axis to form a ribbon structure at 14 GPa. Our work provides an important reference for the high-pressure reaction of aromatics and the synthesis of complex nanoribbons.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"13 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443855","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":"Uncovering the Role of Fluorine Positioning on the Cationic Properties of 2,4-Difluoropyridine","authors":"Hyojung Kim, Sung Man Park, Chan Ho Kwon","doi":"10.1039/d5cp00268k","DOIUrl":"https://doi.org/10.1039/d5cp00268k","url":null,"abstract":"Fluorine substitution exerts a profound influence on the electronic structures, ionisation behaviours, and vibrational dynamics of pyridine systems, enabling the precise tuning of their molecular properties. 2,4-Difluoropyridine (2,4-DFP) exhibits a unique combination of inductive and resonance effects owing to the presence of fluorine atoms at the ortho and para positions relative to the nitrogen atom. However, studies on its ionisation-induced structural changes and vibrational dynamics remain limited. In this study, high-resolution vacuum-ultraviolet mass-analysed threshold ionisation mass spectroscopy and Franck–Condon analysis were employed to investigate the ionisation-induced structural and electronic properties of 2,4-DFP. The spatial arrangement of fluorine atoms selectively stabilised the nitrogen lone pair and the π orbitals in the pyridine ring, significantly affecting valence orbital energies. Precise measurements of the adiabatic ionisation energies of 2,4-DFP highlighted the synergistic effects of para-resonance and ortho-inductive withdrawal, thereby elucidating their roles in molecular stabilisation. Vibrational analyses of the proximate cationic states revealed mode-specific structural distortions, underscoring the dynamic changes induced by ionisation. A comparative evaluation of 2,3-, 2,5-, and 2,6-DFP derivatives demonstrated how fluorine positioning governs ionisation energies, molecular geometries, and vibronic interactions. This study advances the understanding of the chemistry of fluorinated pyridines and offers insights into their potential applications in the tailored molecular design of functional materials and chemical systems.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"80 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435129","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":"Mechanistic elucidation of forming Ta3N5/LaTiO2N heterojunction in improving photocatalytic activity","authors":"Linlin Wang, Chunyu Jin, Hao Dong, Xin Zhou","doi":"10.1039/d5cp00152h","DOIUrl":"https://doi.org/10.1039/d5cp00152h","url":null,"abstract":"The Ta3N5/LaTiO2N junction is applied in photocatalytic reactions since its favorable band alignment of two components promotes the separation of photogenerated carriers. This conclusion is mainly based on the properties of two isolated, non-interacting materials. However, very little is known from experiment about the real nature of the interface, the stoichiometry and composition of the oxide layers and the atomic arrangements in the heterojunction photocatalyst. In this work, we have investigated the nature of Ta3N5/LaTiO2N by means of density functional theory calculations. The heterojunction models are the Ta3N5(110) surface interfaced with the LaTiO2N(010) surface and the Ta3N5(020) surface matched with the LaTiO2N(002) surface, respectively. Results show that due to strong interfacial covalent bonds, the formation of an Ta3N5/LaTiO2N junction is a favorable process energetically. Ab initio molecular dynamics simulations also prove the stability of studied interfacial structures. The light absorption becomes stronger and is extended after forming the heterojunction structure, which is favorable to enhance the utilization efficiency of solar energy. Ta3N5/LaTiO2N is always expected to behave as a type II heterojunction irrespective of the surfaces of two semiconductors involved in the junction, in which the band edges of Ta3N5 are lower in energy than those of LaTiO2N. This kind of band alignment is favorable for the separation of photogenerated carriers upon photoexcitation, where electrons move toward Ta3N5 and holes toward LaTiO2N. Due to the larger driving force for separating charge carriers, the Ta3N5(110)/LaTiO2N(010) interface is predicted to outperform the Ta3N5(020)/LaTiO2N(002) one. The formation of interfacial structure between Ta3N5 and LaTiO2N induces the more significant separation of photogenerated charge carriers, which may be the origin of enhanced photocatalytic efficiency compared with isolated components.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"11 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435180","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":"Electrochemical Protonation/Deprotonation of TiNb2O7 in Protic Ionic Liquids","authors":"Masahiro Shimizu, Takuya Kawai, Tomonori Ichikawa, Susumu Arai","doi":"10.1039/d4cp04651j","DOIUrl":"https://doi.org/10.1039/d4cp04651j","url":null,"abstract":"In recent years, there has been growing interest in rechargeable batteries utilizing protons or hydronium ions as charge carriers, driven by the rapid ionic conduction enabled by the proton-specific Grötthuss mechanism. However, the use of acidic aqueous electrolytes introduces side reactions, such as irreversible hydrogen evolution and the dissolution of active materials into the electrolyte, which are influenced by the reaction potential of the active materials. These challenges complicate the identification and development of active materials. While some combinations of Brønsted acids and bases may potentially compromise the advantages of the Grötthuss mechanism, this study successfully demonstrated the electrochemical protonation of TiNb<small>₂</small>O<small>₇</small> using protic ionic liquids as electrolytes. Acetic acid (AcOH) and 1,1,1-trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide (HTFSA) were employed as Brønsted acids, while 1-methylimidazole (Im) and 1,8-diazabicyclo[5.4.0]-7-undecene (DBU) were utilized as Brønsted bases. Irreversible hydrogen evolution was dominant in an aqueous buffer solution consisting of citric acid and trisodium citrate. The AcOH/DBU system showed negligible charge/discharge capacities within the cut-off potential range of −1.5 to +0.25 V. In contrast, AcOH/Im and HTFSA/Im systems exhibited reversible capacities of 61 and 55 mA h g<small>^⁻1</small>, respectively, during the first cycle. However, their Coulomb efficiencies were significantly low below 20%. Meanwhile, HTFSA/DBU, despite a lower reversible capacity of 40 mA h g<small>^⁻1</small> (corresponding to H<small>_0.5</small>TiNb<small>₂</small>O<small>₇</small>), achieved a Coulomb efficiency exceeding 90%. Notably, it maintained an average Coulomb efficiency of 96% over 50 cycles without any capacity degradation.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"10 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143435130","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":"Impact of Nitrogen Configuration on the Electronic Properties of Tailored Triphenilamine Derivatives as Hole Transport Materials for Perovskite Solar Cells: A Computational Chemistry Study","authors":"Raul Rodolfo Flores Mena, Nora Aydeé Sánchez Bojorge, Linda Lucila Landeros Martínez, Juan Pedro Palomares Báez, Luz María Rodríguez Valdez","doi":"10.1039/d4cp04368e","DOIUrl":"https://doi.org/10.1039/d4cp04368e","url":null,"abstract":"Physical properties associated with charge transfer processes of tailored triphenylamine derivative molecules, generated from six nitrogen-containing heterocyclic aromatic cores (nTPAM), were theoretically studied. The conformer-rotamer ensemble sampling tool (CREST) was employed to study the geometric arrangements of n-TPAM monomers and dimers. Essential chemical parameters, such as reorganisation energies, spin densities, and chemical reactivity, were computed utilising the M06, 𝜔B97X, and 𝜔B97X-3c DFT functionals. The 𝜔 parameter of the 𝜔B97X-3c functional was optimised through a non-empirical tuning method. Time-dependent DFT (TD-DFT-M06/6-31G(d,p)) computations yielded insights into the maximum absorption wavelength and transition density matrix of n-TPAM monomers. The electronic coupling between dimers was assessed using M06 and 𝜔B97X. The HOMO energy levels of the n-TPAM derivatives correspond with the perovskite conduction band, situated between YZ22 and SpiroOMeTAD hole transport materials (HTM). n-TPAM molecules demonstrated enhanced electronic coupling for hole transfer, except for C-TPAM (Jeff(h) = 52.3 meV), in contrast to YZ22 (Jeff(h) = 79.5 meV). Nonetheless, n-TPAM exhibited elevated reorganisation energies, varying from 291 to 346 meV, compared to YZ22 (150 meV). Among the analysed derivatives, A-TPAM exhibited the highest chemical hardness and was the only molecule with absorption extending beyond the visible spectrum, as forecasted by TD-DFT. Although A-TPAM exhibited superior electronic properties, its high reorganisation energy may limit its performance as HTM compared to YZ22. Our analysis revealed that the electronic properties relevant to the hole extraction process can be tuned by modifying the nitrogen core configuration. Additionally, the degree of charge delocalisation in cationic compounds significantly influences charge transfer rates; therefore, an optimised DFT functional that effectively represents charge delocalisation is crucial for anticipating accurate trends in physical characteristics.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"1 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443856","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":"Great reduction of hole effective mass in wide bandgap semiconductors by highly mismatched alloying","authors":"Sixin Kang, Shuaiwei Fan, Gongwei Hu","doi":"10.1039/d4cp03957b","DOIUrl":"https://doi.org/10.1039/d4cp03957b","url":null,"abstract":"Many wide bandgap semiconductors suffer from large hole effective mass, the inherent defect severely limits their performance. The LiGaSe2, as a direct wide bandgap oxide semiconductor, also faces such challenges. In this work, we present a strategy for valence band engineering of LiGaSe2 by high mismatch O-alloying. Hybrid functional calculations show that semiconductor LiGa(Se1-xOx)2 alloys can greatly reduce their hole effective mass, drastically improving the hole mobility. Specifically, at x = 6.25%, the hole effective mass of the alloy along the Γ-Y direction is only 0.295 m0¬, indicating an approximate 80% reduction compared to LiGaSe2. This physically counterintuitive reduction can be attributed to introducing a small amount of the O-2p orbitals into the valence band, which strongly overlaps with Ga-3d orbitals, forming strong p-d hybridization. Furthermore, the band anticrossing interaction between the O-2p orbitals and the original orbitals pulls down the conduction band, reducing the band gap of the LiGa(Se0.9375O0.0625)2 alloy to 3.037 eV, which is sufficient to maintain excellent visible light transparency. These findings highlight the potential of the semiconductor LiGa(Se1-xOx)2 alloys as transparent conducting materials and offer a novel solution for other similar wide bandgap semiconductors.","PeriodicalId":99,"journal":{"name":"Physical Chemistry Chemical Physics","volume":"20 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143443981","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}