Surface Science最新文献

{"title":"Theoretical study of gas-sensitive properties of O+Pd13 clusters","authors":"Wenli Xie ,&nbsp;Bin Cui ,&nbsp;Desheng Liu","doi":"10.1016/j.susc.2025.122723","DOIUrl":"10.1016/j.susc.2025.122723","url":null,"abstract":"<div><div>The availability of sensitive and effective materials for the detection and separation of mixed gases is essential for the development of molecular gas-sensitive elements. In this study, the structural stability of five colorless and odorless gase molecules (H₂, O₂, N₂, NO, and CO) adsorbed on O+Pd₁₃, an oxygen-loaded cluster, was investigated through determinations of their electronic structure and kinetic stability. The results demonstrate that the changes which occur in the large surface-to-body ratio and porous microstructure of the O+Pd₁₃ cluster upon adsorption of the small gas molecules make it a suitable candidate for use as a nano-gas-sensitive material.</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"756 ","pages":"Article 122723"},"PeriodicalIF":2.1,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143512389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effects of co-adsorbed water on different bond cleavages involved in acetic acid decomposition on Pt (111)","authors":"Kingsley C. Chukwu ,&nbsp;Líney Árnadóttir","doi":"10.1016/j.susc.2025.122721","DOIUrl":"10.1016/j.susc.2025.122721","url":null,"abstract":"<div><div>Acetic acid decomposition on Pt (111) in the presence of co-adsorbed water is a good model system for oxygenate decomposition on Pt (111) in aqueous phase, with application in hydrogen production and biomass conversion. Here we present a density functional theory (DFT) theory calculation of how co-adsorbed water affects different bond cleavages of acetic acid decomposition on Pt (111). The presence of co-adsorbed water generally enhances O<img>H bond cleavage while inhibiting OC<img>O and OC<img>OH bond cleavage. The influence of co-adsorbed water on C<img>H bond cleavage varies the most and depends on the nature of the transition state and how co-adsorbed water stabilizes the initial and final state. Although these trends are useful as general guidance, they are not sufficient to predict the effect on a complex reaction network such as acetic acid decomposition on Pt (111) which has several parallel reaction paths with similar energies.</div><div>In the absence of co-adsorbed water, the two lowest energy pathways are decarboxylation (DCX) and decarbonylation (DCN) pathways through a common CH₂COO intermediate, in which the DCX pathway (C<img>H bond cleavage of CH₂COO) is more favorable than DCN pathway (OC<img>O bond cleavage of CH₂COO). In the presence of co-adsorbed water, the energy difference between C<img>H bond cleavage and OC<img>O bond cleavage of CH₂COO increases, suggesting an increase in the favorability of acetic acid decarboxylation (formation of carbon dioxide) over acetic acid decarbonylation (formation of carbon monoxide) on Pt (111).</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"756 ","pages":"Article 122721"},"PeriodicalIF":2.1,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143510119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental energies of formation reactions for adsorbates on late transition metal surfaces: A database update","authors":"Charles T. Campbell ,&nbsp;Jan Fingerhut ,&nbsp;Alec M. Wodtke","doi":"10.1016/j.susc.2025.122714","DOIUrl":"10.1016/j.susc.2025.122714","url":null,"abstract":"<div><div>The energies of adsorbates containing H, C, O, N and I, that are of interest as intermediates and/or solvents in heterogeneous catalytic reactions have been measured accurately on clean and well-defined single crystal surfaces by a variety of methods, including temperature programmed desorption (TPD), pulsed molecular beam (PMB) surface residence time measurements, and singe crystal adsorption calorimetry (SCAC). In 2016, Silbaugh and Campbell¹ published a large collection of those experimental adsorption energies which were consider to be particularly reliable based on reproducibility by other groups, comparisons to results for closely related systems, and/or reliability of other results reported by the same group. That database included the enthalpies and energies of 81 molecular and dissociative adsorption reactions that were measured on many different metal single crystal surfaces, as well as the standard enthalpies of formation of the adsorbates thus produced. In this paper, we tabulate the enthalpies and energies of an additional set of 26 molecular and dissociative adsorption reactions that were measured on 7 different metal single crystal faces of 5 different late transition metals (Pt, Pd, Ni, Cu and Au), based on more recent measurements from our own groups. We also tabulate the standard heats of formation of the 26 adsorbates thus produced. Taken together, these databases provide 107 benchmark energies for validating the energy accuracies of computational methods used for estimating surface reaction energies and building microkinetic models of catalytic reactions.</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"756 ","pages":"Article 122714"},"PeriodicalIF":2.1,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Water activation and reaction with ethane to form CO2(g) and H2(g) on a Mn/Au surface","authors":"Michael E. Floto ,&nbsp;J. Ehren Eichler ,&nbsp;C. Buddie Mullins","doi":"10.1016/j.susc.2025.122713","DOIUrl":"10.1016/j.susc.2025.122713","url":null,"abstract":"<div><div>We present experimental evidence for the activation of water and further reaction with ethane on a Mn/Au surface to form CO₂(g) and H₂(g). Additionally, we observe competitive chemisorption between water and carbon monoxide that resulted in water displacing carbon monoxide from a Mn/Au surface at 77 K. This model study unveils fundamental information about the role metallic manganese could be playing in highly energy relevant processes such as, water gas shift reaction and steam reforming of small alkanes.</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"756 ","pages":"Article 122713"},"PeriodicalIF":2.1,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Adsorption of nitrogen atom on the (001) surface of HfC and TaC: A first-principles study","authors":"Dongliang Liu","doi":"10.1016/j.susc.2025.122712","DOIUrl":"10.1016/j.susc.2025.122712","url":null,"abstract":"<div><div>First-principles calculations are performed to investigate the adsorption of nitrogen atom on the HfC and TaC (0 0 1) surface. The (√2 × √2) R45° supercell slabs are employed to calculate the adsorption at 0.5 monolayer coverage. In our calculations, the exchange-correlation potential is treated with the revised version of the Perdew-Burke-Ernzerhof (RPBE) functional. Our results show that the adsorption of N atom is a large exothermic process, indicating the interactions between N atom and the (0 0 1) surfaces are strong. The preferred adsorption site of N atom is MMC (M = Hf or Ta) site on the (0 0 1) surfaces. The results from Mulliken charges, bond population and density of states (DOS) demonstrate that N–C bonds in N/HfC (0 0 1) has more covalent characters than that in N/TaC(001). Meanwhile, N–Ta bond exhibits more covalent characters than N–Hf bond. Compared with the interactions of O atom and the (0 0 1) surfaces, the covalent interaction of N atom and the HfC (0 0 1) surface is weak, while the interaction between N atom and the TaC (0 0 1) surface is strong. Our results may provide basic information intended as a reference for the further development of HfC and TaC thermal protection materials.</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"755 ","pages":"Article 122712"},"PeriodicalIF":2.1,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Adsorption of trimethylaluminum on period 4 and 5 transition metal surfaces","authors":"Hyobin Eom,&nbsp;Sungmin Lee,&nbsp;Yohan Choi,&nbsp;Bonggeun Shong","doi":"10.1016/j.susc.2025.122711","DOIUrl":"10.1016/j.susc.2025.122711","url":null,"abstract":"<div><div>It is known that atomic layer deposition (ALD) of Al₂O₃ using trimethylaluminum (TMA) on transition metal surfaces is dependent to the type of the metal element, so that only coinage metal surfaces show delayed nucleation. In this study, the molecular and dissociative adsorption of TMA on 20 transition metal surfaces were investigated using density functional theory (DFT) calculations. The adsorption energy of molecular TMA depends on the group numbers of the elements, so that late transition metals are expected to show weaker adsorption of TMA molecule compared to those on early transition metals. Dissociative adsorption of TMA is expected to spontaneously proceed on most transition metal surfaces. However, TMA is expected to have reversible molecular adsorption on the surfaces of Cu, Zn, Ag, and Cd. Together with low propensity toward oxidation, the nucleation delay of Al₂O₃ ALD on Cu and Ag can be explained.</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"755 ","pages":"Article 122711"},"PeriodicalIF":2.1,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372198","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Doped bilayer graphene for enhanced sodium-ion battery performance: a first-principles investigation","authors":"Anran Zhong ,&nbsp;Yuhao Qiu ,&nbsp;Huimin Hu ,&nbsp;Jin-Ho Choi","doi":"10.1016/j.susc.2025.122710","DOIUrl":"10.1016/j.susc.2025.122710","url":null,"abstract":"<div><div>Expanding the interlayer spacing of graphene layers has emerged as an effective strategy to enhance sodiation behavior in sodium-ion batteries. However, the optimal interlayer spacing that facilitates sodiation and maximizes electrochemical storage performance remain incompletely understood. In this study, we utilized first-principles density functional theory calculations to explore possible doping strategies aimed at modulating the interlayer spacing of bilayer graphene (BLG) to optimize its sodiation behavior. We investigated single-atom- and co-doping of BLG with various non-metal, transition metal, and metal elements. Most dopants resulted in significantly increased interlayer spacings of BLG, potentially enhancing sodiation capacity. Notably, among the systems considered, Zn–Ge co-doped BLG exhibited the highest theoretical capacity of 828 mAhg^–1, surpassing the value of pristine BLG (124 mAhg^–1). Moreover, Zn–Ge doped BLG showed a relatively low energy barrier (0.25 eV) against Na diffusion, which is desirable for facilitating rapid charge and discharge processes. These findings have implications for the design of high-performance graphene-based anode materials for sodium-ion batteries.</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"755 ","pages":"Article 122710"},"PeriodicalIF":2.1,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143128934","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles analysis of mechanical, optoelectronics and piezoelectric properties in buckled honeycomb GeSe monolayer","authors":"Nguyen Hoang Linh ,&nbsp;Pham Quoc Viet ,&nbsp;Tran The Quang ,&nbsp;Dinh The Hung ,&nbsp;Do Van Truong","doi":"10.1016/j.susc.2025.122703","DOIUrl":"10.1016/j.susc.2025.122703","url":null,"abstract":"<div><div>Our study systematically investigates the mechanical, optoelectronics, and piezoelectric properties of the buckled honeycomb GeSe monolayer (BH-GeSe) using first-principles theory. The stability of the BH-GeSe monolayer is confirmed through phonon dispersion, thermal stability, binding energy, and elastic constant analyses. Its small Young's modulus of 31.05 N/m imparts exceptional flexibility, with an ideal stress (σ<em>_bia</em>) of 6.2 N/m and a high fracture strain (ε<em>_bia</em>) of 0.2. The optoelectronic properties are analyzed through energy band structures and light absorption spectra. The BH-GeSe monolayer is identified as an indirect semiconductor with a energy band gap of 2.95 eV at equilibrium. Biaxial strain induces notable changes in the conduction band minimum (CBM), valence band maximum (VBM), and an energy band gap. Specifically, the energy band gap decreases by up to 51 % under strain. Light absorption coefficients and energy-loss spectra are significantly enhanced, particularly in the infrared and ultraviolet regions, showcasing its superior optical properties. Piezoelectric coefficients are derived from polarization variations in clamped-ion and relaxed-ion states. The piezoelectric coefficients <em>d</em>₁₁ and <em>d</em>₃₁ are calculated as 11.85 pm/V and −0.71 pm/V, respectively, indicating a robust piezoelectric response that surpasses many well-studied two-dimensional materials. These results highlight the BH-GeSe monolayer as a promising material for next-generation optoelectronic and piezoelectric devices. Outstanding flexibility, strain-tunable electronic properties, and strong piezoelectric response position the BH-GeSe monolayer as a leading candidate for diverse applications in advanced material science.</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"755 ","pages":"Article 122703"},"PeriodicalIF":2.1,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143222238","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pyridyl-functionalized tripod molecules on Au(111): Interplay between H-bonding and metal coordination","authors":"Sajjan Mohammad ,&nbsp;Neeta Bisht ,&nbsp;Anjana Kannan ,&nbsp;Anne Brandmeier ,&nbsp;Christian Neiss ,&nbsp;Andreas Görling ,&nbsp;Meike Stöhr ,&nbsp;Sabine Maier","doi":"10.1016/j.susc.2025.122701","DOIUrl":"10.1016/j.susc.2025.122701","url":null,"abstract":"<div><div>The self-assembly of pyridyl-functionalized triazine (T4PT) was studied on Au(111) using low-temperature scanning tunneling microscopy (STM) under ultra-high vacuum conditions combined with density functional theory (DFT) calculations. In particular, we investigated the effect of temperature on the intermolecular interactions within the assemblies. STM measurements revealed that T4PT molecules formed a well-ordered, close-packed structure, with the molecules adopting a planar conformation parallel to the Au surface for coverages <span><math><mrow><mo>≤</mo><mn>1</mn></mrow></math></span> monolayer upon room temperature deposition. The intermolecular interactions stabilizing the self-assembled arrangement are based on a combination of hydrogen bonding and weak van der Waals forces. Upon post-deposition annealing up to <span><math><mrow><mn>200</mn><msup><mrow><mspace></mspace></mrow><mrow><mo>∘</mo></mrow></msup></mrow></math></span>C, the assemblies were additionally stabilized by metal–ligand bonding between the pyridyl ligands and native Au adatoms. Further post-deposition annealing at temperatures above <span><math><mrow><mn>200</mn><msup><mrow><mspace></mspace></mrow><mrow><mo>∘</mo></mrow></msup></mrow></math></span>C led to the breaking of the N-Au bonds with the molecular assemblies transforming into a second close-packed hydrogen-bonded structure. For temperatures exceeding <span><math><mrow><mn>230</mn><msup><mrow><mspace></mspace></mrow><mrow><mo>∘</mo></mrow></msup></mrow></math></span>C, few covalently linked dimers formed, most likely as a result of CH-bond activation. We rationalize the kinetically-driven structure formation by unveiling the interaction strengths of the different bonding motifs using DFT and compare the respective molecular conformations to the ones of the structurally similar pyridyl-functionalized benzene (T4PB).</div></div>","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"755 ","pages":"Article 122701"},"PeriodicalIF":2.1,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Understanding diffusion behavior of multiple Li and Na-ions on a β12-borophene electrode: A first-principles study","authors":"C. Fwalo ,&nbsp;A. Kochaev ,&nbsp;R.E. Mapasha","doi":"10.1016/j.susc.2025.122700","DOIUrl":"10.1016/j.susc.2025.122700","url":null,"abstract":"&lt;div&gt;&lt;div&gt;An increasing emphasis on 2D materials such as &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;β&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;12&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-borophene has emerged in the pursuit of enhancing lithium and sodium-ion batteries, owing to their exceptional structural and electronic properties including low diffusion energy barriers. Although most of the results on diffusion mechanisms have been reported, they are largely limited to infinitely dilute concentrations. In this study, we used density functional theory to investigate the electronic properties of &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;β&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;12&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-borophene adsorbed with high concentration of ions and determined its use as an electrode in lithium and sodium-ion batteries. Our systematic exploration involved the investigation of adsorption energies and diffusion mechanisms for single ions, vacancy, and knock-off at multiple ion levels. The findings indicate that &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;β&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;12&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-borophene exhibits spontaneous adsorption energies towards Li and Na ions of -2.56 and -2.70 eV, respectively. Additionally, low open circuit voltages of 0.21 V for Li and 0.91 V for Na were obtained, suggesting that the formation of dendrites can be suppressed. At a high concentration of 24 ions, the storage capacity was calculated to be 1487.68 mAh/g for both Li and Na, surpassing that of commercial graphite electrodes and other 2D materials. We also observed charge transfer from the adsorbates to the substrate, with charge distributions primarily located between the first layers of ions and the substrate, indicating a significant concentration of electrons being transferred towards the substrate. We also investigated the energy barriers associated with diffusing vacancies (Li = 0.55 eV, Na = 0.22 eV) and knock-off mechanisms (Li = 0.56 eV, Na = 0.7 eV) at a high concentration of adsorbed ions and on a supercell that was twice the size of some previous studies. These results revealed varying energy barriers due to the presence of multiple ions, with the knock-off mechanism exhibiting the highest energy barrier. The increased energy barriers due to high concentration of ions is attributed to the repulsive forces between the ions. Furthermore, despite the adsorption of multiple Li and Na ions, &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;β&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;12&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-borophene maintained its metallic properties, signifying its potential for use in battery operation cycles. Lastly, high structural stability at 300 K confirmed the viability of &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;β&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;12&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-borophene for normal battery operations. Altogether, these properties underscore the potential of &lt;span&gt;&lt;math&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;β&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;12&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;-borophene as an effective electrode material for lithium and sodium-ion batteries.&lt;/div&gt;&lt;/div","PeriodicalId":22100,"journal":{"name":"Surface Science","volume":"755 ","pages":"Article 122700"},"PeriodicalIF":2.1,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143093380","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}