Pub Date : 2025-02-01DOI: 10.1016/j.cplett.2024.141769
D.J. Nader , G. Rodriguez-Espejo
Compact wave functions with explicit correlation are capable of recovering more than seventy percent of the correlation energy of few-electron atoms while some constraints can be imposed to satisfy the cusp conditions. We address the question if it is also possible to describe correctly the first order finite mass correction. To this end, we optimize wave functions free of spin contamination with two-body Jastrow factors. As a playground, we use the first global excited state 1sp of Li-like atoms because it is the simplest case of open shell and non-zero angular momentum.
{"title":"The role of the Jastrow factor towards the correct estimate of the finite-mass correction","authors":"D.J. Nader , G. Rodriguez-Espejo","doi":"10.1016/j.cplett.2024.141769","DOIUrl":"10.1016/j.cplett.2024.141769","url":null,"abstract":"<div><div>Compact wave functions with explicit correlation are capable of recovering more than seventy percent of the correlation energy of few-electron atoms while some constraints can be imposed to satisfy the cusp conditions. We address the question if it is also possible to describe correctly the first order finite mass correction. To this end, we optimize wave functions free of spin contamination with two-body Jastrow factors. As a playground, we use the first global excited state 1s<span><math><mrow><msup><mrow></mrow><mrow><mn>2</mn></mrow></msup><mn>2</mn></mrow></math></span>p of Li-like atoms because it is the simplest case of open shell and non-zero angular momentum.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"860 ","pages":"Article 141769"},"PeriodicalIF":2.8,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143162838","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 : 2025-02-01DOI: 10.1016/j.cplett.2024.141779
Dingqian Yang , Dandong He , Manman Yuan , Wen Zeng , Qu Zhou
The real-time monitoring of thermal runaway gases from lithium iron phosphate batteries has thus become a focal point of current research. This research selects H2, CO, CO2, and CH4 gases from thermal runaway scenarios for analysis using first-principles to determine their adsorption energies, density of states, band structures, charge transfer, and desorption times within intrinsic CdS and Ni-CdS adsorption systems. The adsorption energies on CdS monolayer for four gases are −0.0903 eV, −0.1606 eV, −0.0640 eV and −0.0044 eV, while that of Ni-CdS are −0.092 eV, −2.614 eV, −1.613 eV and −0.089 eV. The charge transfer can be seen obviously in CO and CO2 adsorption models of Ni-CdS in differential charge density maps. According to the analysis of density of states and band structure, the adsorption of CO and CO2 can substantially alter the electronic structure of the Ni-CdS monolayer. As a result, Ni-CdS materials are very suitable as gas scavengers for CO and CO2.
{"title":"Analysis of the adsorption performance of Ni-CdS on four typical thermal runaway gases from lithium iron phosphate batteries","authors":"Dingqian Yang , Dandong He , Manman Yuan , Wen Zeng , Qu Zhou","doi":"10.1016/j.cplett.2024.141779","DOIUrl":"10.1016/j.cplett.2024.141779","url":null,"abstract":"<div><div>The real-time monitoring of thermal runaway gases from lithium iron phosphate batteries has thus become a focal point of current research. This research selects H<sub>2</sub>, CO, CO<sub>2</sub>, and CH<sub>4</sub> gases from thermal runaway scenarios for analysis using first-principles to determine their adsorption energies, density of states, band structures, charge transfer, and desorption times within intrinsic CdS and Ni-CdS adsorption systems. The adsorption energies on CdS monolayer for four gases are −0.0903 eV, −0.1606 eV, −0.0640 eV and −0.0044 eV, while that of Ni-CdS are −0.092 eV, −2.614 eV, −1.613 eV and −0.089 eV. The charge transfer can be seen obviously in CO and CO<sub>2</sub> adsorption models of Ni-CdS in differential charge density maps. According to the analysis of density of states and band structure, the adsorption of CO and CO<sub>2</sub> can substantially alter the electronic structure of the Ni-CdS monolayer. As a result, Ni-CdS materials are very suitable as gas scavengers for CO and CO<sub>2</sub>.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"860 ","pages":"Article 141779"},"PeriodicalIF":2.8,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143161797","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 : 2025-02-01DOI: 10.1016/j.cplett.2024.141772
Barbara M.T.C. Peluzo , Filippo Bodo , Lida Aeindartehran , Tomče Runčevski , Elfi Kraka
Cocrystals are of tremendous significance for the pharmaceutical industry, due to their favorable properties when compared to their salt analogs. The pK rule, commonly used in the identification of a cocrystal, meets shortcomings in the 0 pK 3 range, where salts and cocrystals ought to emerge. In this project, we probed the salt vs. cocrystal nature, using the strength of hydrogen bondings through the local mode analysis, in the case example of the product formed between thiobendazole and fumaric acid. Moreover, we employed a topological analysis of the electronic density to quantify the covalency of such interactions.
{"title":"Thiabendazole: Fumaric acid as a case study on the salt cocrystal continuum: A local vibrational mode perspective","authors":"Barbara M.T.C. Peluzo , Filippo Bodo , Lida Aeindartehran , Tomče Runčevski , Elfi Kraka","doi":"10.1016/j.cplett.2024.141772","DOIUrl":"10.1016/j.cplett.2024.141772","url":null,"abstract":"<div><div>Cocrystals are of tremendous significance for the pharmaceutical industry, due to their favorable properties when compared to their salt analogs. The <span><math><mi>Δ</mi></math></span>pK<span><math><msub><mrow></mrow><mrow><mi>a</mi></mrow></msub></math></span> rule, commonly used in the identification of a cocrystal, meets shortcomings in the 0 <span><math><mo>≤</mo></math></span> <span><math><mi>Δ</mi></math></span>pK<span><math><msub><mrow></mrow><mrow><mi>a</mi></mrow></msub></math></span> <span><math><mo>≤</mo></math></span> 3 range, where salts and cocrystals ought to emerge. In this project, we probed the salt vs. cocrystal nature, using the strength of hydrogen bondings through the local mode analysis, in the case example of the product formed between thiobendazole and fumaric acid. Moreover, we employed a topological analysis of the electronic density to quantify the covalency of such interactions.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"860 ","pages":"Article 141772"},"PeriodicalIF":2.8,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143162191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-02-01DOI: 10.1016/j.cplett.2024.141776
Fo Bai , Zhengtong Wang , Xiaohui Liu , Junhuan Zhao , Zhongjie Zhai , Chun Sun
In this study, we employed a modified ligand-assisted recrystallization precipitation (LARP) method to synthesize perovskite nanomaterials with emission peaks ranging from 515 nm to 683 nm. The synthesis of these nanomaterials with different emission peaks was achieved by simply controlling the type and amount of cesium oleate. These CsPbI3 nanomaterials possess different morphologies, and all of them show excellent PL properties. Furthermore, by simply mixing the nanomaterials with sodium citrate, a large quantity of powders of various colors was obtained, which can be used for the fabrication of multicolor patterns.
{"title":"Synthesis and application of lead iodine-based perovskite nanomaterials","authors":"Fo Bai , Zhengtong Wang , Xiaohui Liu , Junhuan Zhao , Zhongjie Zhai , Chun Sun","doi":"10.1016/j.cplett.2024.141776","DOIUrl":"10.1016/j.cplett.2024.141776","url":null,"abstract":"<div><div>In this study, we employed a modified ligand-assisted recrystallization precipitation (LARP) method to synthesize perovskite nanomaterials with emission peaks ranging from 515 nm to 683 nm. The synthesis of these nanomaterials with different emission peaks was achieved by simply controlling the type and amount of cesium oleate. These CsPbI<sub>3</sub> nanomaterials possess different morphologies, and all of them show excellent PL properties. Furthermore, by simply mixing the nanomaterials with sodium citrate, a large quantity of powders of various colors was obtained, which can be used for the fabrication of multicolor patterns.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"860 ","pages":"Article 141776"},"PeriodicalIF":2.8,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143162840","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 : 2025-01-31DOI: 10.1016/j.cplett.2025.141922
Nikhil Shrivastav , Paola Alexandra Ortiz Encalada , Junainah Abd Hamid , Jaya Madan , Rahul Pandey
Several materials have been explored for the designing and improving the performance of the solar cells. In the quest of stable and high performance from the solar cells perovskite materials play an important role in the PV technology. In this work, LiMgAs a novel material has been explored and characterized through the density functional theory (DFT). The obtained results from the algorithm reveals that LiMgAs material having bandgap of 1.38 eV is very promising material in order to absorb the light photons. We have obtained refractive index, di-electric constant, energy loss function optical and electrical conductivity of the LiMgAs material. All the findings are evident that the LiMgAs material can be further taken for the designing of the efficient solar cells. In this context, multi-layer solar cell structure utilizing LiMgAS as the absorber material shows promising photovoltaic performance, achieving an open-circuit voltage (VOC) of 1.12 V, a short-circuit current density (JSC) of 26.07 mA/cm2, a fill factor (FF) of 75.88 %, and a power conversion efficiency (PCE) of 22.15 %. Furthermore, simulations indicate that increasing the absorber layer thickness enhances photon absorption and current generation, further improving the device's overall efficiency.
{"title":"Integrating SCAPS with DFT: A comprehensive study of LiMgAs for high-performance solar cells","authors":"Nikhil Shrivastav , Paola Alexandra Ortiz Encalada , Junainah Abd Hamid , Jaya Madan , Rahul Pandey","doi":"10.1016/j.cplett.2025.141922","DOIUrl":"10.1016/j.cplett.2025.141922","url":null,"abstract":"<div><div>Several materials have been explored for the designing and improving the performance of the solar cells. In the quest of stable and high performance from the solar cells perovskite materials play an important role in the PV technology. In this work, LiMgAs a novel material has been explored and characterized through the density functional theory (DFT). The obtained results from the algorithm reveals that LiMgAs material having bandgap of 1.38 eV is very promising material in order to absorb the light photons. We have obtained refractive index, di-electric constant, energy loss function optical and electrical conductivity of the LiMgAs material. All the findings are evident that the LiMgAs material can be further taken for the designing of the efficient solar cells. In this context, multi-layer solar cell structure utilizing LiMgA<sub>S</sub> as the absorber material shows promising photovoltaic performance, achieving an open-circuit voltage (V<sub>OC</sub>) of 1.12 V, a short-circuit current density (J<sub>SC</sub>) of 26.07 mA/cm<sup>2</sup>, a fill factor (FF) of 75.88 %, and a power conversion efficiency (PCE) of 22.15 %. Furthermore, simulations indicate that increasing the absorber layer thickness enhances photon absorption and current generation, further improving the device's overall efficiency.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"865 ","pages":"Article 141922"},"PeriodicalIF":2.8,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143164319","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 : 2025-01-30DOI: 10.1016/j.cplett.2025.141920
Fabrizio Sordello
Exclusion-zone water has been proposed to explain anomalous behavior of water compared with other liquids, like exceptionally large capacitance measured at polarized Pt electrodes. Conventional electrochemistry theory can account for the experimental data without introducing a novel water phase stable at room temperature.
{"title":"Established electrochemistry theory rules out the existence of exclusion-zone water at polarized Pt electrodes","authors":"Fabrizio Sordello","doi":"10.1016/j.cplett.2025.141920","DOIUrl":"10.1016/j.cplett.2025.141920","url":null,"abstract":"<div><div>Exclusion-zone water has been proposed to explain anomalous behavior of water compared with other liquids, like exceptionally large capacitance measured at polarized Pt electrodes. Conventional electrochemistry theory can account for the experimental data without introducing a novel water phase stable at room temperature.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"865 ","pages":"Article 141920"},"PeriodicalIF":2.8,"publicationDate":"2025-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143164318","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 : 2025-01-29DOI: 10.1016/j.cplett.2025.141915
Jiaoyang Hao , Lin Tan , Jiaqi Xu , Xiaowei Ma
Metal organic frameworks (MOFs) derived materials have attracted a lot of attention in the field of electromagnetic wave (EMW) absorption. In this regard, we improved the EMW absorption performance of Ni-based MOF derived materials by introducing sulfur and nitrogen dual-doped graphene (N,S-GS), which possesses good electrical conductivity. The minimum reflection loss (RLmin) of Ni/C/N,S-GS can reach −51.4 dB at 10.1 GHz when the absorber thickness is only 2.43 mm, with an effective absorption bandwidth (EAB) of 3.04 GHz. This work provides us with a novel strategy for the synthesis of composites with high-performance microwave absorption for practical applications.
{"title":"MOF-derived Ni/N,S dual-doped graphene composites as high-performance microwave absorber","authors":"Jiaoyang Hao , Lin Tan , Jiaqi Xu , Xiaowei Ma","doi":"10.1016/j.cplett.2025.141915","DOIUrl":"10.1016/j.cplett.2025.141915","url":null,"abstract":"<div><div>Metal organic frameworks (MOFs) derived materials have attracted a lot of attention in the field of electromagnetic wave (EMW) absorption. In this regard, we improved the EMW absorption performance of Ni-based MOF derived materials by introducing sulfur and nitrogen dual-doped graphene (N,S-GS), which possesses good electrical conductivity. The minimum reflection loss (RL<sub>min</sub>) of Ni/C/N,S-GS can reach −51.4 dB at 10.1 GHz when the absorber thickness is only 2.43 mm, with an effective absorption bandwidth (EAB) of 3.04 GHz. This work provides us with a novel strategy for the synthesis of composites with high-performance microwave absorption for practical applications.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"864 ","pages":"Article 141915"},"PeriodicalIF":2.8,"publicationDate":"2025-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143095071","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 : 2025-01-28DOI: 10.1016/j.cplett.2025.141912
Marcel David Fabian , Eran Rabani , Roi Baer
This work presents new Gaussian single- and double-zeta basis sets optimized for stochastic density functional theory (sDFT) using real-space auxiliary grids. Previous studies showed standard basis sets like STO-3G and 6-31G are sub-optimal for this approach. Our basis set’s Gaussian-type orbitals (GTOs) resemble norm-conserving pseudo-orbitals for H, C, N, O, F, and Si, but minimize real-space and momentum-space support. These basis sets achieve accuracy comparable to established sets while offering improved efficiency for sDFT calculations with auxiliary grids.
{"title":"Compact Gaussian basis sets for stochastic DFT calculations","authors":"Marcel David Fabian , Eran Rabani , Roi Baer","doi":"10.1016/j.cplett.2025.141912","DOIUrl":"10.1016/j.cplett.2025.141912","url":null,"abstract":"<div><div>This work presents new Gaussian single- and double-zeta basis sets optimized for stochastic density functional theory (sDFT) using real-space auxiliary grids. Previous studies showed standard basis sets like STO-3G and 6-31G are sub-optimal for this approach. Our basis set’s Gaussian-type orbitals (GTOs) resemble norm-conserving pseudo-orbitals for H, C, N, O, F, and Si, but minimize real-space and momentum-space support. These basis sets achieve accuracy comparable to established sets while offering improved efficiency for sDFT calculations with auxiliary grids.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"865 ","pages":"Article 141912"},"PeriodicalIF":2.8,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143238420","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 : 2025-01-27DOI: 10.1016/j.cplett.2025.141913
Kirkland Sheriff , Weixong Liang , Subhadra Yerra , Dino Sulejmanovic , Christopher Nelson , Andrew Lupini , Shiou-Jyh Hwu , Buta Singh , Ya-Ping Sun
Carbon dots are classically defined as small carbon nanoparticles (CNPs) with effective surface passivation, which has been accomplished predominantly by surface organic functionalization. In the current work, the passivation is achieved by the surface coating of CNPs with nanoscale TiO2 for CNP/TiO2 core/shell nanostructures, which are analogous to conventional semiconductor core/shell quantum dots (QDs). The TiO2 capping of CNPs results in substantial enhancements in the fluorescence quantum yields, also analogous to the similar enhancements famously known for the semiconductor QDs. Mechanistic implications of the findings, including the associated further validation on the classical definition of carbon dots, are discussed.
{"title":"Carbon dots from surface-capping/passivation of small carbon nanoparticles with nanoscale titanium dioxide","authors":"Kirkland Sheriff , Weixong Liang , Subhadra Yerra , Dino Sulejmanovic , Christopher Nelson , Andrew Lupini , Shiou-Jyh Hwu , Buta Singh , Ya-Ping Sun","doi":"10.1016/j.cplett.2025.141913","DOIUrl":"10.1016/j.cplett.2025.141913","url":null,"abstract":"<div><div>Carbon dots are classically defined as small carbon nanoparticles (CNPs) with effective surface passivation, which has been accomplished predominantly by surface organic functionalization. In the current work, the passivation is achieved by the surface coating of CNPs with nanoscale TiO<sub>2</sub> for CNP/TiO<sub>2</sub> core/shell nanostructures, which are analogous to conventional semiconductor core/shell quantum dots (QDs). The TiO<sub>2</sub> capping of CNPs results in substantial enhancements in the fluorescence quantum yields, also analogous to the similar enhancements famously known for the semiconductor QDs. Mechanistic implications of the findings, including the associated further validation on the classical definition of carbon dots, are discussed.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"864 ","pages":"Article 141913"},"PeriodicalIF":2.8,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143104729","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 : 2025-01-27DOI: 10.1016/j.cplett.2025.141890
S.J. Rodríguez-Sotelo, S. Kozuch
Quantum tunneling in degenerate double-well molecular systems has two mutually exclusive observables: the delocalized, coherent energy splitting (E01) and the localized, decoherent, non-stationary rearrangement rate constant (k). Although incompatible, both depend on similar factors, with sources suggesting linear or quadratic relationships. Our comparison between the experimental E01 values and small-curvature tunneling computed k values supports the quadratic model. The agreement between experimental and computational results also supports the applied tunneling protocol. We discuss how the quadratic formula applies to the decoherent regime, typical in “chemical” tunneling, while the linear model describes quantum probability fluctuations between wells under coherent tunneling.
{"title":"Tunneling splitting energy vs. tunneling rate constant: An empirical computational corroboration","authors":"S.J. Rodríguez-Sotelo, S. Kozuch","doi":"10.1016/j.cplett.2025.141890","DOIUrl":"10.1016/j.cplett.2025.141890","url":null,"abstract":"<div><div>Quantum tunneling in degenerate double-well molecular systems has two mutually exclusive observables: the delocalized, coherent energy splitting (<span><math><mi>Δ</mi></math></span>E<sub>01</sub>) and the localized, decoherent, non-stationary rearrangement rate constant (<em>k</em>). Although incompatible, both depend on similar factors, with sources suggesting linear or quadratic relationships. Our comparison between the experimental <span><math><mi>Δ</mi></math></span>E<sub>01</sub> values and small-curvature tunneling computed <em>k</em> values supports the quadratic model. The agreement between experimental and computational results also supports the applied tunneling protocol. We discuss how the quadratic formula applies to the decoherent regime, typical in “chemical” tunneling, while the linear model describes quantum probability fluctuations between wells under coherent tunneling.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"864 ","pages":"Article 141890"},"PeriodicalIF":2.8,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143279801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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