Pub Date : 2024-11-11DOI: 10.1021/acs.jpcc.4c05795
Wei Zhang, Meiqi Yang, Haiqing Zhu, Junfeng Li, Li Yuan, Linxin Yao, Yumiao Su, Wenmu Li
N-(p-Toluenesulfonyloxy) phthalimides have been widely used in chemically amplified photoresist systems as a photoacid generator; however, their derivatives are yet to be well developed and applied. In the current work, six N-sulfonate phthalimide derivatives with different electron-withdrawing and electron-donating substitutes were synthesized. The single crystals of these N-sulfonate phthalimide derivatives were cultured, and their crystal data were applied to theoretically calculate the bond dissociation energy of their N–O bonds and the frontier molecular orbitals. The influence of these substitutes on the electronic effects and steric effects of the N-sulfonate phthalimide derivatives was well explored and discussed. To better evaluate the performance of these N-sulfonate phthalimide derivatives, they were also mixed with poly(4-hydroxystyrene) and their acid generation efficiency and thermal stability were analyzed in the application scenarios. Our research reveals that the introduction of electron-withdrawing groups to the sulfonate moiety can effectively improve the acid generation efficiency of the sulfonate phthalimide derivative photoacid generators. This study can provide a glimpse into the future R&D of photoacid generators.
{"title":"Electronic Effects and Steric Effects for the Design of N-Sulfonate Ester Phthalimide Photoacid Generators with High Acid Production Efficiency and Thermal Stability","authors":"Wei Zhang, Meiqi Yang, Haiqing Zhu, Junfeng Li, Li Yuan, Linxin Yao, Yumiao Su, Wenmu Li","doi":"10.1021/acs.jpcc.4c05795","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c05795","url":null,"abstract":"N-(p-Toluenesulfonyloxy) phthalimides have been widely used in chemically amplified photoresist systems as a photoacid generator; however, their derivatives are yet to be well developed and applied. In the current work, six N-sulfonate phthalimide derivatives with different electron-withdrawing and electron-donating substitutes were synthesized. The single crystals of these N-sulfonate phthalimide derivatives were cultured, and their crystal data were applied to theoretically calculate the bond dissociation energy of their N–O bonds and the frontier molecular orbitals. The influence of these substitutes on the electronic effects and steric effects of the N-sulfonate phthalimide derivatives was well explored and discussed. To better evaluate the performance of these N-sulfonate phthalimide derivatives, they were also mixed with poly(4-hydroxystyrene) and their acid generation efficiency and thermal stability were analyzed in the application scenarios. Our research reveals that the introduction of electron-withdrawing groups to the sulfonate moiety can effectively improve the acid generation efficiency of the sulfonate phthalimide derivative photoacid generators. This study can provide a glimpse into the future R&D of photoacid generators.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"16 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142599434","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}
Pub Date : 2024-11-09DOI: 10.1021/acs.jpcc.4c06402
Lin Wang, Xiang-Yu Kong, Ganhua Xie
Understanding the factors influencing the magnetic fields induced by ionic currents is essential for various applications ranging from biophysics to materials science. In this study, we systematically investigated the magnitude of the ionic-current-induced magnetic field under diverse conditions, including different current intensities, distances, coil numbers, and conduit sizes and shapes. Our experimental results reveal that the magnetic flux density is directly proportional to the current intensity and decreases with larger distances. Furthermore, it increases with the number of effective coils and decreases with larger conduit sizes, demonstrating the significant impact of conduit shape on the generated magnetic field. To complement our experimental findings, we conduct comprehensive data simulations, revealing a close agreement between simulation results and experimental data. This convergence underscores the robustness of our experimental observations and provides further insights into optimizing ionic-current-induced magnetic fields. Overall, our study offers valuable insights into the design and optimization of systems utilizing ionic-current-induced magnetic fields for a wide array of applications.
{"title":"Magnetic Fields Generated by Directed Ionic Flow","authors":"Lin Wang, Xiang-Yu Kong, Ganhua Xie","doi":"10.1021/acs.jpcc.4c06402","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c06402","url":null,"abstract":"Understanding the factors influencing the magnetic fields induced by ionic currents is essential for various applications ranging from biophysics to materials science. In this study, we systematically investigated the magnitude of the ionic-current-induced magnetic field under diverse conditions, including different current intensities, distances, coil numbers, and conduit sizes and shapes. Our experimental results reveal that the magnetic flux density is directly proportional to the current intensity and decreases with larger distances. Furthermore, it increases with the number of effective coils and decreases with larger conduit sizes, demonstrating the significant impact of conduit shape on the generated magnetic field. To complement our experimental findings, we conduct comprehensive data simulations, revealing a close agreement between simulation results and experimental data. This convergence underscores the robustness of our experimental observations and provides further insights into optimizing ionic-current-induced magnetic fields. Overall, our study offers valuable insights into the design and optimization of systems utilizing ionic-current-induced magnetic fields for a wide array of applications.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"72 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596729","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}
Pub Date : 2024-11-08DOI: 10.1021/acs.jpcc.4c06383
Souta Suzuki, Takuya Okazaki, Fumiaki Amano
Hydroxyl radicals (•OH) generated on semiconductor oxide photocatalysts are expected to facilitate the decomposition and selective oxidation of organic compounds. However, the efficiency and behavior of photocatalytic •OH production have not been fully understood. In this study, we developed a flow system in which an electrolyte containing the spin-trapping agent, 5,5-dimethyl-1-pyrroline-N-oxide (DMPO), was passed through a photoelectrochemical cell, and the radical species generated by the photoanodic water oxidation were continuously analyzed by electron spin resonance (ESR) spectroscopy. This flow-based ESR measurement enabled us to simultaneously quantify the current density and radical production rate under photocatalytic reaction, and to measure the Faradaic efficiency (FE) for the formation of the spin adduct (•DMPO-OH) with near-real-time response. We utilized a tungsten oxide (WO3) electrode as a typical photocatalyst to investigate •OH formation during water oxidation. When the incident photon-to-photocurrent conversion efficiency (IPCE) was 7.1 to 12.7% at an electrode potential of 1.20 V vs RHE, the FE of •OH formation was found to be low, ranging from 0.63 to 0.92%. The •OH FE increased with decreasing applied electrode potential or light intensity, suggesting that the surface density of photogenerated holes may influence the •OH formation.
在半导体氧化物光催化剂上产生的羟基自由基（-OH）有望促进有机化合物的分解和选择性氧化。然而，人们对光催化产生 -OH 的效率和行为尚未完全了解。在这项研究中，我们开发了一种流动系统，其中含有自旋捕获剂 5,5-二甲基-1-吡咯啉-N-氧化物（DMPO）的电解质通过光电化学电池，通过电子自旋共振（ESR）光谱连续分析光阳极水氧化产生的自由基物种。这种基于流动的 ESR 测量使我们能够同时量化光催化反应中的电流密度和自由基产生率，并以近乎实时的响应测量形成自旋加合物（-DMPO-OH）的法拉第效率（FE）。我们利用氧化钨（WO3）电极作为典型的光催化剂来研究水氧化过程中 -OH 的形成。当电极电位为 1.20 V vs RHE 时，入射光子-光电流转换效率（IPCE）为 7.1% 至 12.7%，发现 -OH 形成的 FE 很低，为 0.63% 至 0.92%。随着应用电极电位或光照强度的降低，-OH 的 FE 增加，这表明光生孔的表面密度可能会影响-OH 的形成。
{"title":"Continuous-Flow Electron Spin Resonance Measurements of Hydroxyl Radicals Produced during Photocatalytic Water Oxidation","authors":"Souta Suzuki, Takuya Okazaki, Fumiaki Amano","doi":"10.1021/acs.jpcc.4c06383","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c06383","url":null,"abstract":"Hydroxyl radicals (<sup>•</sup>OH) generated on semiconductor oxide photocatalysts are expected to facilitate the decomposition and selective oxidation of organic compounds. However, the efficiency and behavior of photocatalytic <sup>•</sup>OH production have not been fully understood. In this study, we developed a flow system in which an electrolyte containing the spin-trapping agent, 5,5-dimethyl-1-pyrroline-<i>N</i>-oxide (DMPO), was passed through a photoelectrochemical cell, and the radical species generated by the photoanodic water oxidation were continuously analyzed by electron spin resonance (ESR) spectroscopy. This flow-based ESR measurement enabled us to simultaneously quantify the current density and radical production rate under photocatalytic reaction, and to measure the Faradaic efficiency (FE) for the formation of the spin adduct (<sup>•</sup>DMPO-OH) with near-real-time response. We utilized a tungsten oxide (WO<sub>3</sub>) electrode as a typical photocatalyst to investigate <sup>•</sup>OH formation during water oxidation. When the incident photon-to-photocurrent conversion efficiency (IPCE) was 7.1 to 12.7% at an electrode potential of 1.20 V vs RHE, the FE of <sup>•</sup>OH formation was found to be low, ranging from 0.63 to 0.92%. The <sup>•</sup>OH FE increased with decreasing applied electrode potential or light intensity, suggesting that the surface density of photogenerated holes may influence the <sup>•</sup>OH formation.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"148 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596766","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}
Pub Date : 2024-11-08DOI: 10.1021/acs.jpcc.4c05384
Chengwei Dong, Kangkang Yao, Yiyang Fan, Sen Kong, Wenlong Xu, Yue Li, Pingping Huo, Kaiyan Cao, Minxia Fang, Chao Zhou, Yin Zhang, Sen Yang
Cobalt–iron Prussian blue analogues are typical materials with a photomagnetic effect, capable of exhibiting significant magnetic polarization enhancement upon exposure to light. In this work, upon replacing Mn in Co-ion sites, the obtained KαMnxCo(1–x)[Fe(CN)6]β·nH2O Prussian blue analogues displayed an anomalous behavior of photoinduced magnetization changes, which correlates with the content of substituted Mn ions. Especially, for compounds with x ≥ 0.34, the photoexcitation led to the emergence of a novel demagnetization process characterized by a reduction in magnetic moments, which has not previously been reported. This phenomenon can be explained by the mechanism named spin down of Mn ions driven by metal-to-metal charge transfer (MMCT) between Fe and Co, wherein the bond elongation induced by MMCT between Fe and Co compresses the bond of the Mn ion, causing the rearrangement of spin in the Mn ion and eventually resulting in demagnetization.
钴铁普鲁士蓝类似物是具有光磁效应的典型材料，在光照射下能够显示出显著的磁极化增强。在这项工作中，在取代钴离子位点中的锰后，得到的 KαMnxCo(1-x)[Fe(CN)6]β-nH2O 普鲁士蓝类似物显示出一种光诱导磁化变化的反常行为，这与取代锰离子的含量有关。特别是对于 x ≥ 0.34 的化合物，光激发导致出现了一种新的去磁过程，其特点是磁矩减小，这是以前从未报道过的。这种现象可以用铁和钴之间的金属对金属电荷转移（MMCT）驱动锰离子自旋下降的机制来解释，即铁和钴之间的金属对金属电荷转移引起的键伸长压缩了锰离子的键，导致锰离子中的自旋重新排列，最终导致退磁。
{"title":"Anomalous Photomagnetization Behaviors under a Large field in Ternary Metal Prussian Blue Analogues KαMnCo(1–x)[Fe(CN)6]β·nH2O","authors":"Chengwei Dong, Kangkang Yao, Yiyang Fan, Sen Kong, Wenlong Xu, Yue Li, Pingping Huo, Kaiyan Cao, Minxia Fang, Chao Zhou, Yin Zhang, Sen Yang","doi":"10.1021/acs.jpcc.4c05384","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c05384","url":null,"abstract":"Cobalt–iron Prussian blue analogues are typical materials with a photomagnetic effect, capable of exhibiting significant magnetic polarization enhancement upon exposure to light. In this work, upon replacing Mn in Co-ion sites, the obtained K<sub>α</sub>Mn<sub><i>x</i></sub>Co<sub>(1–<i>x</i>)</sub>[Fe(CN)<sub>6</sub>]<sub>β</sub>·<i>n</i>H<sub>2</sub>O Prussian blue analogues displayed an anomalous behavior of photoinduced magnetization changes, which correlates with the content of substituted Mn ions. Especially, for compounds with <i>x</i> ≥ 0.34, the photoexcitation led to the emergence of a novel demagnetization process characterized by a reduction in magnetic moments, which has not previously been reported. This phenomenon can be explained by the mechanism named spin down of Mn ions driven by metal-to-metal charge transfer (MMCT) between Fe and Co, wherein the bond elongation induced by MMCT between Fe and Co compresses the bond of the Mn ion, causing the rearrangement of spin in the Mn ion and eventually resulting in demagnetization.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"18 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596815","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}
Hexagonal perovskite-related oxides, Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub>, Ba<sub>7</sub>Nb<sub>4–<i>x</i></sub>Mo<sub>1+<i>x</i></sub>O<sub>20+(1/2)<i>x</i></sub> (<i>x</i> = 0.1), Ba<sub>7</sub>Nb<sub>4–<i>y</i></sub>W<sub><i>y</i></sub>MoO<sub>20+(1/2)<i>y</i></sub> (<i>y</i> = 0.15), and Ba<sub>7</sub>Ta<sub>4–<i>z</i></sub>Mo<sub>1+<i>z</i></sub>O<sub>20+(1/2)<i>z</i></sub> (<i>z</i> = 0.3), have recently been reported to exhibit high oxide-ion and proton conductivity. These materials are of great interest in industrial applications, such as solid oxide fuel cells (SOFCs) and proton ceramic fuel cells (PCFCs) and are known for their unusual structures. Although the structures of Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub> and their related materials were primarily analyzed by assuming an even distribution of Mo and Nb at each <i>M</i> (=Mo/Nb) site, solid-state nuclear magnetic resonance (NMR) spectra have revealed that Mo and Nb are unevenly distributed in Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub>. As it is crucial to determine whether the contributions to oxide-ion and proton conduction are the same for Mo and Nb, we focused on the signal differences among these as-prepared materials, namely, Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub>, Ba<sub>7</sub>Nb<sub>3.9</sub>Mo<sub>1.1</sub>O<sub>20.05</sub>, Ba<sub>7</sub>Nb<sub>3.85</sub>W<sub>0.15</sub>MoO<sub>20.075</sub>, and Ba<sub>7</sub>Ta<sub>3.7</sub>Mo<sub>1.3</sub>O<sub>20.15</sub>, using solid-state <sup>95</sup>Mo and <sup>93</sup>Nb NMR analysis. The <sup>95</sup>Mo NMR similar predominant peaks revealed in Ba<sub>7</sub>Nb<sub>3.9</sub>Mo<sub>1.1</sub>O<sub>20.05</sub>, Ba<sub>7</sub>Nb<sub>3.85</sub>W<sub>0.15</sub>MoO<sub>20.075</sub>, and Ba<sub>7</sub>Ta<sub>3.7</sub>Mo<sub>1.3</sub>O<sub>20.15</sub> are also attributed to the MoO<sub>4</sub> tetrahedron near the oxide-ion conducting layer owing to the small quadrupolar coupling constant, |<i>C</i><sub>Q</sub>|. Furthermore, a minor peak of <sup>95</sup>Mo has been observed in Ba<sub>7</sub>Ta<sub>3.7</sub>Mo<sub>1.3</sub>O<sub>20.15</sub>, which is presumed to be a MoO<sub>5</sub> polyhedron, MoO<sub>5</sub> monomer, or (Mo/Ta)<sub>2</sub>O<sub>9</sub> dimer, formed by the binding of the excess oxygen, represented by (1/2)<i>z</i> (<i>z</i> = 0.3) in the chemical formula. One shoulder peak in the <sup>93</sup>Nb NMR spectrum of Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub> could be attributed to the NbO<sub>4</sub> tetrahedron near the ion conducting layer from its small quadrupolar coupling product, |<i>P</i><sub>Q</sub>|, but its intensity is smaller than that considered from the occupancy factors. The small signal intensity is plausible because many are not regular NbO<sub>4</sub> tetrahedrons in Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub>. In Ba<sub>7</sub>Nb<sub>4–<i>x</i></sub>Mo<sub>1+<i>x</i></sub>O<sub>20+(1/2)<i>x</i></sub> (<i>x</i> = 0.1), the intensity of NbO<sub>4</sub> tetrahedron has been further re
{"title":"Solid-State 95Mo and 93Nb NMR Study of Ba7Nb4MoO20-Based Materials and Ba7Ta3.7Mo1.3O20.15","authors":"Masataka Tansho, Atsushi Goto, Shinobu Ohki, Yuuki Mogami, Yuta Yasui, Yuichi Sakuda, Kotaro Fujii, Takahiro Iijima, Masatomo Yashima","doi":"10.1021/acs.jpcc.4c02645","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c02645","url":null,"abstract":"Hexagonal perovskite-related oxides, Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub>, Ba<sub>7</sub>Nb<sub>4–<i>x</i></sub>Mo<sub>1+<i>x</i></sub>O<sub>20+(1/2)<i>x</i></sub> (<i>x</i> = 0.1), Ba<sub>7</sub>Nb<sub>4–<i>y</i></sub>W<sub><i>y</i></sub>MoO<sub>20+(1/2)<i>y</i></sub> (<i>y</i> = 0.15), and Ba<sub>7</sub>Ta<sub>4–<i>z</i></sub>Mo<sub>1+<i>z</i></sub>O<sub>20+(1/2)<i>z</i></sub> (<i>z</i> = 0.3), have recently been reported to exhibit high oxide-ion and proton conductivity. These materials are of great interest in industrial applications, such as solid oxide fuel cells (SOFCs) and proton ceramic fuel cells (PCFCs) and are known for their unusual structures. Although the structures of Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub> and their related materials were primarily analyzed by assuming an even distribution of Mo and Nb at each <i>M</i> (=Mo/Nb) site, solid-state nuclear magnetic resonance (NMR) spectra have revealed that Mo and Nb are unevenly distributed in Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub>. As it is crucial to determine whether the contributions to oxide-ion and proton conduction are the same for Mo and Nb, we focused on the signal differences among these as-prepared materials, namely, Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub>, Ba<sub>7</sub>Nb<sub>3.9</sub>Mo<sub>1.1</sub>O<sub>20.05</sub>, Ba<sub>7</sub>Nb<sub>3.85</sub>W<sub>0.15</sub>MoO<sub>20.075</sub>, and Ba<sub>7</sub>Ta<sub>3.7</sub>Mo<sub>1.3</sub>O<sub>20.15</sub>, using solid-state <sup>95</sup>Mo and <sup>93</sup>Nb NMR analysis. The <sup>95</sup>Mo NMR similar predominant peaks revealed in Ba<sub>7</sub>Nb<sub>3.9</sub>Mo<sub>1.1</sub>O<sub>20.05</sub>, Ba<sub>7</sub>Nb<sub>3.85</sub>W<sub>0.15</sub>MoO<sub>20.075</sub>, and Ba<sub>7</sub>Ta<sub>3.7</sub>Mo<sub>1.3</sub>O<sub>20.15</sub> are also attributed to the MoO<sub>4</sub> tetrahedron near the oxide-ion conducting layer owing to the small quadrupolar coupling constant, |<i>C</i><sub>Q</sub>|. Furthermore, a minor peak of <sup>95</sup>Mo has been observed in Ba<sub>7</sub>Ta<sub>3.7</sub>Mo<sub>1.3</sub>O<sub>20.15</sub>, which is presumed to be a MoO<sub>5</sub> polyhedron, MoO<sub>5</sub> monomer, or (Mo/Ta)<sub>2</sub>O<sub>9</sub> dimer, formed by the binding of the excess oxygen, represented by (1/2)<i>z</i> (<i>z</i> = 0.3) in the chemical formula. One shoulder peak in the <sup>93</sup>Nb NMR spectrum of Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub> could be attributed to the NbO<sub>4</sub> tetrahedron near the ion conducting layer from its small quadrupolar coupling product, |<i>P</i><sub>Q</sub>|, but its intensity is smaller than that considered from the occupancy factors. The small signal intensity is plausible because many are not regular NbO<sub>4</sub> tetrahedrons in Ba<sub>7</sub>Nb<sub>4</sub>MoO<sub>20</sub>. In Ba<sub>7</sub>Nb<sub>4–<i>x</i></sub>Mo<sub>1+<i>x</i></sub>O<sub>20+(1/2)<i>x</i></sub> (<i>x</i> = 0.1), the intensity of NbO<sub>4</sub> tetrahedron has been further re","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"105 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596731","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}
In this study, four new phenothiazine dioxide derivatives were synthesized. They were functionalized with rotatable electron donor substituents characterized by different degree of rotatability (such as triphenylamine, phenothiazine and tetraphenylethylene) symmetrically attached to the central core. On the one hand, the triphenylamine- and phenothiazine-based molecules exhibited efficient fluorescence in the blue portion of the visible spectrum, consistent with their modest push–pull character. On the other hand, the tetraphenylethylene-functionalized compound showed very low fluorescence quantum yields and an ultrafast nonradiative deactivation to the ground state via intramolecular rotations. Efficient intersystem crossing (ISC) was revealed through transient absorption experiments with femtosecond and nanosecond temporal resolution for the triphenylamine and phenothiazine derivatives. Organic nanoaggregates of the investigated fluorophores with mean diameters of 50–150 nm were prepared in water dispersion and intriguingly exhibited either blue thermally activated delayed fluorescence (TADF, for the triphenylamine-based dye) or aggregation-induced emission (AIE, for the tetraphenylethylene-based dye). Such organic nanoparticles were successfully internalized in human melanoma and lung cancer cells, exhibiting nuclear localization via fluorescence imaging and some cytotoxicity. TADF was interestingly revealed for the triphenylamine-functionalized molecule also in the solid state, in host–guest powders where triphenylphosphine was employed as the host matrix. This new blue TADF emitter holds significant potential for applications in third- and fourth-generation OLED devices.
{"title":"Ad-Hoc Functionalization of Phenothiazine Dioxide Derivatives to Achieve Blue Thermally Activated Delayed Fluorescence in Organic Nanoaggregates","authors":"Chiara Montanari, Manju Sheokand, Alessio Cesaretti, Eleonora Calzoni, Rajneesh Misra, Benedetta Carlotti","doi":"10.1021/acs.jpcc.4c04344","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c04344","url":null,"abstract":"In this study, four new phenothiazine dioxide derivatives were synthesized. They were functionalized with rotatable electron donor substituents characterized by different degree of rotatability (such as triphenylamine, phenothiazine and tetraphenylethylene) symmetrically attached to the central core. On the one hand, the triphenylamine- and phenothiazine-based molecules exhibited efficient fluorescence in the blue portion of the visible spectrum, consistent with their modest push–pull character. On the other hand, the tetraphenylethylene-functionalized compound showed very low fluorescence quantum yields and an ultrafast nonradiative deactivation to the ground state via intramolecular rotations. Efficient intersystem crossing (ISC) was revealed through transient absorption experiments with femtosecond and nanosecond temporal resolution for the triphenylamine and phenothiazine derivatives. Organic nanoaggregates of the investigated fluorophores with mean diameters of 50–150 nm were prepared in water dispersion and intriguingly exhibited either blue thermally activated delayed fluorescence (TADF, for the triphenylamine-based dye) or aggregation-induced emission (AIE, for the tetraphenylethylene-based dye). Such organic nanoparticles were successfully internalized in human melanoma and lung cancer cells, exhibiting nuclear localization via fluorescence imaging and some cytotoxicity. TADF was interestingly revealed for the triphenylamine-functionalized molecule also in the solid state, in host–guest powders where triphenylphosphine was employed as the host matrix. This new blue TADF emitter holds significant potential for applications in third- and fourth-generation OLED devices.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"244 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596763","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}
Various transition metal compounds were reported to exhibit superconducting properties. Inspired by these findings, we conducted a computational investigation into the density of states, Fermi surface nesting functions, vibrations, and superconductivity of Pm-3m MRu3 by using first-principles calculations. Calculated results reveal that superconducting transition temperatures (Tc) of Pm-3m VRu3, NbRu3, and TaRu3 are 14.2, 9.8, and 8.2 K, respectively. The Fermi nesting function and line widths indicate that VRu3 has a bigger electron–phonon matrix than NbRu3 and TaRu3. The superconductivity of Pm-3m MRu3 is attributed to a strong interaction between Ru-d electrons near the Fermi energy and the phonons of coupled M-Ru vibrations. The factors resulting in the difference in Tc of MRu3 are the varying strengths of the coupling between the M-d electrons around the Fermi energy and the phonons associated with M-Ru-coupled vibrations as well as the atomic vibrations of VB group atoms. The findings of the present study offer significant insights that can inform future research and design of new superconducting materials based on transition metal compounds belonging to the same family.
{"title":"Electronic and Phononic Contributions to Superconductivity of Pm-3m MRu3 (M = V, Nb, and Ta)","authors":"Shi Chen, Zihao Huo, Yibo Sun, Xinwei Wang, Bohan Cao, Defang Duan, Geng Li, Wei Zhan, Qiang Zhou, Fubo Tian","doi":"10.1021/acs.jpcc.4c05026","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c05026","url":null,"abstract":"Various transition metal compounds were reported to exhibit superconducting properties. Inspired by these findings, we conducted a computational investigation into the density of states, Fermi surface nesting functions, vibrations, and superconductivity of <i>Pm</i>-3<i>m M</i>Ru<sub>3</sub> by using first-principles calculations. Calculated results reveal that superconducting transition temperatures (<i>T</i><sub>c</sub>) of <i>Pm</i>-3<i>m</i> VRu<sub>3</sub>, NbRu<sub>3</sub>, and TaRu<sub>3</sub> are 14.2, 9.8, and 8.2 K, respectively. The Fermi nesting function and line widths indicate that VRu<sub>3</sub> has a bigger electron–phonon matrix than NbRu<sub>3</sub> and TaRu<sub>3</sub>. The superconductivity of <i>Pm</i>-3<i>m M</i>Ru<sub>3</sub> is attributed to a strong interaction between Ru-d electrons near the Fermi energy and the phonons of coupled <i>M</i>-Ru vibrations. The factors resulting in the difference in <i>T</i><sub>c</sub> of <i>M</i>Ru<sub>3</sub> are the varying strengths of the coupling between the <i>M</i>-d electrons around the Fermi energy and the phonons associated with <i>M</i>-Ru-coupled vibrations as well as the atomic vibrations of VB group atoms. The findings of the present study offer significant insights that can inform future research and design of new superconducting materials based on transition metal compounds belonging to the same family.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"151 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596765","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}
Pub Date : 2024-11-08DOI: 10.1021/acs.jpcc.4c06460
Andreas Siebert, Kenneth Goodman, Monika Blum
CO2 postcombustion is a promising technique to reduce the amount of CO2 emissions from fossil fuel power plants. Aqueous amine solutions are among the most mature approaches to remove CO2 from fume gases, but further efforts are required to overcome obstacles like the high amount of energy needed to strip the amine from the CO2. A better understanding of the chemical reactions and the distribution of the reaction products in the crucial liquid–vapor interface region is of great importance for a deliberate improvement of the amine solutions. Ambient pressure X-ray photoelectron spectroscopy with a colliding micro liquid flat jet system was used to study 30 wt % aqueous monoethanolamine and diethanolamine solutions with different loading of CO2. The observed concentrations of the different species in the bulk of our amine solution are in excellent agreement with infrared spectroscopy and nuclear magnetic resonance measurements from literature. Additionally, there is indication that the formed carbamate amine show a slight surface propensity, while the pure amine show a small tendency for the bulk of the solutions for both amine solutions at low CO2 loadings.
二氧化碳后燃烧是减少化石燃料发电厂二氧化碳排放量的一项前景广阔的技术。胺水溶液是去除烟气中二氧化碳的最成熟方法之一，但还需要进一步努力克服各种障碍，例如从二氧化碳中剥离胺所需的高能量。更好地了解化学反应以及反应产物在关键的液气界面区域的分布情况，对于有意识地改进胺溶液非常重要。利用微液平射流对撞系统的常压 X 射线光电子能谱仪研究了不同二氧化碳负载量的 30 wt % 单乙醇胺和二乙醇胺水溶液。观察到的胺溶液主体中不同物种的浓度与文献中的红外光谱和核磁共振测量结果非常吻合。此外，有迹象表明，在二氧化碳含量较低的两种胺溶液中，形成的氨基甲酸胺显示出轻微的表面倾向，而纯胺则在溶液的主体中显示出轻微的倾向。
{"title":"CO2 Absorption Process at the Liquid–Vapor Interface of Aqueous Monoethanol and Diethanol Amine Solutions","authors":"Andreas Siebert, Kenneth Goodman, Monika Blum","doi":"10.1021/acs.jpcc.4c06460","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c06460","url":null,"abstract":"CO<sub>2</sub> postcombustion is a promising technique to reduce the amount of CO<sub>2</sub> emissions from fossil fuel power plants. Aqueous amine solutions are among the most mature approaches to remove CO<sub>2</sub> from fume gases, but further efforts are required to overcome obstacles like the high amount of energy needed to strip the amine from the CO<sub>2</sub>. A better understanding of the chemical reactions and the distribution of the reaction products in the crucial liquid–vapor interface region is of great importance for a deliberate improvement of the amine solutions. Ambient pressure X-ray photoelectron spectroscopy with a colliding micro liquid flat jet system was used to study 30 wt % aqueous monoethanolamine and diethanolamine solutions with different loading of CO<sub>2</sub>. The observed concentrations of the different species in the bulk of our amine solution are in excellent agreement with infrared spectroscopy and nuclear magnetic resonance measurements from literature. Additionally, there is indication that the formed carbamate amine show a slight surface propensity, while the pure amine show a small tendency for the bulk of the solutions for both amine solutions at low CO<sub>2</sub> loadings.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"7 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596767","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}
Layered perovskite oxides of La2Ti2–xRuxO7±δ, where x ranges from 0.1 to 0.4 (LTR01–04), demonstrate significant catalytic efficiency and stability in the oxidative steam reforming of ethanol (OSRE). The LTR03 catalyst (0.50 wt % Ru) achieves optimal performance, achieving complete ethanol conversion and an exceptional hydrogen selectivity rate of 100.0(5)% under conditions of C/O = 0.6, GHSV = 120,000 h–1, and a furnace temperature of 400 °C. When paired with La2Zr2O7 as a support material, the LTR03 catalyst maintains a stable hydrogen selectivity of 98(1)% and an ethanol conversion rate of 99(1)% at a C/O ratio of 0.6, without any noticeable carbon deposition, over a 120 h OSRE activity test. Investigations using X-ray photoelectron Spectra (XPS), X-ray absorption spectroscopy (XAS), temperature-programmed reduction (TPR), synchrotron, and neutron powder diffraction indicate that the partial substitution of ruthenium cations leads to the emergence of multivalence of Run+/Ru4+ ions and triggers the creation of oxygen vacancies and boosting the OSRE performance of La2Ti2–xRuxO7±δ. Rietveld analyses of powder diffraction data disclose a site-specific preference for Run+ and Ti4+ ions within the metal lattice. In-situ powder X-ray diffraction (PXRD) and neutron powder diffraction studies on both the regular and reduced forms of La2Ti1.7Ru0.3O7±δ (LTR03) reveal that oxygen vacancies predominantly form at the top and bottom regions of the [M2O7]n− layer. These vacancies are crucial for effectively converting ethanol and hydrocarbons in the OSRE process. These findings pave the way for further research into metal-substituted layered perovskites as catalysts and La2Zr2O7 as a supporting material for efficient hydrogen production via ethanol conversion in the OSRE process.
{"title":"Enhancing Catalytic Performance in Oxidative Steam Reforming of Ethanol: The Role of Ruthenium ion Substitution in Layered Perovskite La2Ti2–xRuxO7±δ Catalysts","authors":"Ho-Chen Hsieh, Rou-Cian Chen, Yu-Kai Huang, Hwo-Shuenn Sheu, Yu-Chun Chuang, Chin-Wei Wang, Chi-Shen Lee","doi":"10.1021/acs.jpcc.4c04673","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c04673","url":null,"abstract":"Layered perovskite oxides of La<sub>2</sub>Ti<sub>2–<i>x</i></sub>Ru<sub><i>x</i></sub>O<sub>7±δ</sub>, where x ranges from 0.1 to 0.4 (LTR01–04), demonstrate significant catalytic efficiency and stability in the oxidative steam reforming of ethanol (OSRE). The LTR03 catalyst (0.50 wt % Ru) achieves optimal performance, achieving complete ethanol conversion and an exceptional hydrogen selectivity rate of 100.0(5)% under conditions of C/O = 0.6, GHSV = 120,000 h<sup>–1</sup>, and a furnace temperature of 400 °C. When paired with La<sub>2</sub>Zr<sub>2</sub>O<sub>7</sub> as a support material, the LTR03 catalyst maintains a stable hydrogen selectivity of 98(1)% and an ethanol conversion rate of 99(1)% at a C/O ratio of 0.6, without any noticeable carbon deposition, over a 120 h OSRE activity test. Investigations using X-ray photoelectron Spectra (XPS), X-ray absorption spectroscopy (XAS), temperature-programmed reduction (TPR), synchrotron, and neutron powder diffraction indicate that the partial substitution of ruthenium cations leads to the emergence of multivalence of Ru<sup><i>n</i>+</sup>/Ru<sup>4+</sup> ions and triggers the creation of oxygen vacancies and boosting the OSRE performance of La<sub>2</sub>Ti<sub>2–<i>x</i></sub>Ru<sub><i>x</i></sub>O<sub>7±δ</sub>. Rietveld analyses of powder diffraction data disclose a site-specific preference for Ru<sup><i>n</i>+</sup> and Ti<sup>4+</sup> ions within the metal lattice. In-situ powder X-ray diffraction (PXRD) and neutron powder diffraction studies on both the regular and reduced forms of La<sub>2</sub>Ti<sub>1.7</sub>Ru<sub>0.3</sub>O<sub>7±δ</sub> (LTR03) reveal that oxygen vacancies predominantly form at the top and bottom regions of the [M<sub>2</sub>O<sub>7</sub>]<sup><i>n</i>−</sup> layer. These vacancies are crucial for effectively converting ethanol and hydrocarbons in the OSRE process. These findings pave the way for further research into metal-substituted layered perovskites as catalysts and La<sub>2</sub>Zr<sub>2</sub>O<sub>7</sub> as a supporting material for efficient hydrogen production via ethanol conversion in the OSRE process.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"2 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596764","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}
Pub Date : 2024-11-07DOI: 10.1021/acs.jpcc.4c05126
Said Taboukhat, Aouatif Aamoum, Awatef Ayadi, Afef Shili, Anna Zawadzka, Karolina Waszkowska, Przemyslaw Płóciennik, Abdelkrim El-Ghayoury, Nabil Zouari, Robert Wielgosz, Anatoliy Andrushchak, Dominique Guichaoua, Anna Migalska-Zalas, Bouchta Sahraoui
This paper presents the linear and nonlinear optical (NLO) properties of two donor–acceptor organic materials, namely, <i>N</i>,<i>N</i>-dimethyl-4-((<i>E</i>)-(4-((<i>E</i>)-((5-phenylthiophen-2-yl)methylene)amino)phenyl)diazenyl)aniline <b>A</b> and (<i>E</i>)-4-((<i>E</i>)-(4-nitrophenyl)diazenyl)-<i>N</i>-((5-phenylthiophen-2-yl)methylene)aniline <b>B</b>. The studied compounds differ from each other by the nature of the substituent (donor or acceptor) on the azobenzene moiety, giving rise to D−π–D and D−π–A systems, respectively, for <b>A</b> and <b>B</b>. The thin-film deposition process was carried out using two different techniques: physical vapor deposition (PVD) and spin-coating. The aim of this work is to elucidate the influence of both the molecular structure of the compounds and thin-film deposition technique on their linear and nonlinear optical responses. Absorbance, photoluminescence, and decay time were used to measure the linear optical properties, while second and third harmonic generation techniques were used as tools for the nonlinear optical responses. The comparison of the results obtained for both <b>A</b> and <b>B</b> indicates a much better NLO performance with a value of 8.18 ± 0.09 pm V<sup>–1</sup> for compound <b>B</b> with a D−π–A shape and a value of 1.32 ± 0.07 pm V<sup>–1</sup> for compound <b>A</b> with a D−π–D structure. A more detailed analysis of the NLO properties revealed a noteworthy finding: the compounds exhibited considerably elevated third-order nonlinear susceptibility values in comparison to the reference material, with discrepancies spanning 1–2 orders of magnitude. Of particular interest was compound <b>B</b>, which demonstrated the highest <i></i><span style="color: inherit;"></span><span data-mathml='<math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><msub><mrow><msup><mrow><mi>χ</mi></mrow><mrow><mo stretchy="false">(</mo><mn>3</mn><mo stretchy="false">)</mo></mrow></msup></mrow><mrow><mi>elec</mi></mrow></msub></math>' role="presentation" style="position: relative;" tabindex="0"><nobr aria-hidden="true"><span style="width: 3.128em; display: inline-block;"><span style="display: inline-block; position: relative; width: 2.844em; height: 0px; font-size: 110%;"><span style="position: absolute; clip: rect(1.139em, 1002.84em, 2.56em, -999.997em); top: -2.156em; left: 0em;"><span><span><span style="display: inline-block; position: relative; width: 2.844em; height: 0px;"><span style="position: absolute; clip: rect(2.957em, 1001.59em, 4.378em, -999.997em); top: -3.974em; left: 0em;"><span><span><span style="display: inline-block; position: relative; width: 1.594em; height: 0px;"><span style="position: absolute; clip: rect(3.355em, 1000.63em, 4.378em, -999.997em); top: -3.974em; left: 0em;"><span><span style="font-family: STIXMathJax_Norma
本文介绍了两种供体-受体有机材料的线性和非线性光学（NLO）特性，即 N,N-二甲基-4-((E)-(4-((E)-((5-苯基噻吩-2-基)亚甲基)氨基)苯基)偶氮苯胺 A 和 (E)-4-((E)-(4-硝基苯基)偶氮苯胺)-N-((5-苯基噻吩-2-基)亚甲基)苯胺 B。所研究的化合物因偶氮苯分子上取代基（供体或受体）的性质而彼此不同，因此 A 和 B 分别产生了 D-π-D 和 D-π-A 系统。薄膜沉积过程采用了两种不同的技术：物理气相沉积（PVD）和旋涂。这项工作的目的是阐明化合物的分子结构和薄膜沉积技术对其线性和非线性光学响应的影响。吸收率、光致发光和衰减时间被用来测量线性光学特性，而二次和三次谐波发生技术则被用作非线性光学响应的工具。对 A 和 B 所获结果的比较表明，化合物 B 的非线性光学性能要好得多，D-π-A 结构的化合物 B 的值为 8.18 ± 0.09 pm V-1，而 D-π-D 结构的化合物 A 的值为 1.32 ± 0.07 pm V-1。对 NLO 特性进行更详细的分析后发现了一个值得注意的发现：与参考材料相比，这些化合物的三阶非线性电感值明显升高，差异达到 1-2 个数量级。其中，化合物 B 的𝜒(3)elecχ(3)elec 值最高，等于 (225.91 ± 0.92) × 10-22 m2 V-2。这项研究是通过量子化学理论计算完成的，其中包括偶极矩的测定和分子轨道前沿最高占有分子轨道和最低未占有分子轨道能量的评估。这些综合研究证明了偶氮基苯基噻吩衍生物在光电子学和量子光学应用方面的巨大潜力，同时也表明它是生产有机发光二极管的重要候选材料。
{"title":"High-Order Harmonics and Photoluminescence in Azo-Phenylthiophene Derivatives","authors":"Said Taboukhat, Aouatif Aamoum, Awatef Ayadi, Afef Shili, Anna Zawadzka, Karolina Waszkowska, Przemyslaw Płóciennik, Abdelkrim El-Ghayoury, Nabil Zouari, Robert Wielgosz, Anatoliy Andrushchak, Dominique Guichaoua, Anna Migalska-Zalas, Bouchta Sahraoui","doi":"10.1021/acs.jpcc.4c05126","DOIUrl":"https://doi.org/10.1021/acs.jpcc.4c05126","url":null,"abstract":"This paper presents the linear and nonlinear optical (NLO) properties of two donor–acceptor organic materials, namely, <i>N</i>,<i>N</i>-dimethyl-4-((<i>E</i>)-(4-((<i>E</i>)-((5-phenylthiophen-2-yl)methylene)amino)phenyl)diazenyl)aniline <b>A</b> and (<i>E</i>)-4-((<i>E</i>)-(4-nitrophenyl)diazenyl)-<i>N</i>-((5-phenylthiophen-2-yl)methylene)aniline <b>B</b>. The studied compounds differ from each other by the nature of the substituent (donor or acceptor) on the azobenzene moiety, giving rise to D−π–D and D−π–A systems, respectively, for <b>A</b> and <b>B</b>. The thin-film deposition process was carried out using two different techniques: physical vapor deposition (PVD) and spin-coating. The aim of this work is to elucidate the influence of both the molecular structure of the compounds and thin-film deposition technique on their linear and nonlinear optical responses. Absorbance, photoluminescence, and decay time were used to measure the linear optical properties, while second and third harmonic generation techniques were used as tools for the nonlinear optical responses. The comparison of the results obtained for both <b>A</b> and <b>B</b> indicates a much better NLO performance with a value of 8.18 ± 0.09 pm V<sup>–1</sup> for compound <b>B</b> with a D−π–A shape and a value of 1.32 ± 0.07 pm V<sup>–1</sup> for compound <b>A</b> with a D−π–D structure. A more detailed analysis of the NLO properties revealed a noteworthy finding: the compounds exhibited considerably elevated third-order nonlinear susceptibility values in comparison to the reference material, with discrepancies spanning 1–2 orders of magnitude. Of particular interest was compound <b>B</b>, which demonstrated the highest <i></i><span style=\"color: inherit;\"></span><span data-mathml='<math xmlns=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\"><msub><mrow><msup><mrow><mi>&#x3C7;</mi></mrow><mrow><mo stretchy=\"false\">(</mo><mn>3</mn><mo stretchy=\"false\">)</mo></mrow></msup></mrow><mrow><mi>elec</mi></mrow></msub></math>' role=\"presentation\" style=\"position: relative;\" tabindex=\"0\"><nobr aria-hidden=\"true\"><span style=\"width: 3.128em; display: inline-block;\"><span style=\"display: inline-block; position: relative; width: 2.844em; height: 0px; font-size: 110%;\"><span style=\"position: absolute; clip: rect(1.139em, 1002.84em, 2.56em, -999.997em); top: -2.156em; left: 0em;\"><span><span><span style=\"display: inline-block; position: relative; width: 2.844em; height: 0px;\"><span style=\"position: absolute; clip: rect(2.957em, 1001.59em, 4.378em, -999.997em); top: -3.974em; left: 0em;\"><span><span><span style=\"display: inline-block; position: relative; width: 1.594em; height: 0px;\"><span style=\"position: absolute; clip: rect(3.355em, 1000.63em, 4.378em, -999.997em); top: -3.974em; left: 0em;\"><span><span style=\"font-family: STIXMathJax_Norma","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"16 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142596823","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}
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