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An explainable machine learning data mining to generate new organic donors of organic dyes with lowest possible HOMO-LUMO gaps 一种可解释的机器学习数据挖掘，以产生具有尽可能低的HOMO-LUMO间隙的有机染料的新有机供体
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-13 DOI: 10.1016/j.cplett.2025.142291
Hussein A.K. Kyhoiesh , Karrar H. Salem , Ashraf Y. Elnaggar , Ahmed A. Al-Kubaisi , Islam H. El Azab , Mohamed H.H. Mahmoud , Zainab J. Hamoodah , Aous H. Nief
{"title":"An explainable machine learning data mining to generate new organic donors of organic dyes with lowest possible HOMO-LUMO gaps","authors":"Hussein A.K. Kyhoiesh ,&nbsp;Karrar H. Salem ,&nbsp;Ashraf Y. Elnaggar ,&nbsp;Ahmed A. Al-Kubaisi ,&nbsp;Islam H. El Azab ,&nbsp;Mohamed H.H. Mahmoud ,&nbsp;Zainab J. Hamoodah ,&nbsp;Aous H. Nief","doi":"10.1016/j.cplett.2025.142291","DOIUrl":"10.1016/j.cplett.2025.142291","url":null,"abstract":"<div><div>This manuscript introduces an explainable machine learning approach for identifying new organic donors of dyes with minimized HOMO-LUMO gaps. A dataset was created, with HOMO-LUMO gaps calculated using PSI4 quantum chemical methods. A random forest model, achieving an R<sup>2</sup> of 0.91, was trained for predictions. Key features included LabuteASA, Chi0v, and Chi1n. Structure Activity Likelihood Index (SALI) scores were determined, reaching up to 15. K-Fold cross-validation validated the model's robustness. Ultimately, 1000 potential organic donors were predicted, providing a valuable resource for designing high-performance organic dyes and accelerating the discovery of novel materials.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"877 ","pages":"Article 142291"},"PeriodicalIF":2.8,"publicationDate":"2025-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144656111","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}
引用次数: 0
Effects of intramolecular and intermolecular hydrogen bonding on the ESIPT process in 2-(2′-hydroxyphenyl)imidazo[1,2-a]pyridine derivative 分子内和分子间氢键对2-（2′-羟基苯基）咪唑[1,2-a]吡啶衍生物ESIPT反应的影响
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-12 DOI: 10.1016/j.cplett.2025.142286
Shuyue Wang , Qingfeng Wei , Zhe Tang , Binbin Fan , Kailin Zhang , Junsheng Chen
{"title":"Effects of intramolecular and intermolecular hydrogen bonding on the ESIPT process in 2-(2′-hydroxyphenyl)imidazo[1,2-a]pyridine derivative","authors":"Shuyue Wang ,&nbsp;Qingfeng Wei ,&nbsp;Zhe Tang ,&nbsp;Binbin Fan ,&nbsp;Kailin Zhang ,&nbsp;Junsheng Chen","doi":"10.1016/j.cplett.2025.142286","DOIUrl":"10.1016/j.cplett.2025.142286","url":null,"abstract":"<div><div>We investigate the excited-state intramolecular proton transfer (ESIPT) process and luminescence mechanism of a 2-(2′-hydroxyphenyl)imidazo[1,2-<em>a</em>]pyridine derivative (HIP-Br) in dichloromethane (DCM) and dimethyl sulfoxide (DMSO) using both implicit and explicit solvation models. Computational results reveal that the ESIPT process of HIP-Br proceeds efficiently in DCM regardless of the solvation model. In contrast, in DMSO, the ESIPT process is suppressed under the explicit solvation model due to the formation of intermolecular hydrogen bonds between HIP-Br and DMSO molecules, which disrupt the intramolecular hydrogen bond. This study underscores the importance of considering explicit solute–solvent interactions when modeling excited-state processes in hydrogen-bonding solvents.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"877 ","pages":"Article 142286"},"PeriodicalIF":2.8,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144656110","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}
引用次数: 0
Synthesis of Fe2O3-CeO2 composites by fast combustion method: A study on citric acid, precursors concentration ratio and annealing temperature effects 快速燃烧法合成Fe2O3-CeO2复合材料：柠檬酸、前驱体浓度及退火温度影响的研究
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-12 DOI: 10.1016/j.cplett.2025.142290
Gonzalo Abarzúa , Simón Roa , Nicolás Espinoza , Ramón Cobo , Felipe Sanhueza
{"title":"Synthesis of Fe2O3-CeO2 composites by fast combustion method: A study on citric acid, precursors concentration ratio and annealing temperature effects","authors":"Gonzalo Abarzúa ,&nbsp;Simón Roa ,&nbsp;Nicolás Espinoza ,&nbsp;Ramón Cobo ,&nbsp;Felipe Sanhueza","doi":"10.1016/j.cplett.2025.142290","DOIUrl":"10.1016/j.cplett.2025.142290","url":null,"abstract":"<div><div>In this work, we report on the synthesis of Fe<sub>2</sub>O<sub>3</sub>-CeO<sub>2</sub> powder-based composites by an original fast solution combustion procedure. Composites with different Fe/Ce molar concentration ratios were synthesized by using different citric acid concentrations and annealing temperatures (500–700 °C) to study the effects on the structural and chemical properties of the final products. Composites showed a majority presence of CeO<sub>2</sub> and Fe<sub>2</sub>O<sub>3</sub> crystalline phases, and the slight presence of Fe<sub>3</sub>O<sub>4</sub> which can be completely attenuated by annealing treatments. Our results provide a reliable synthesis method for the fast production of Fe<sub>2</sub>O<sub>3</sub>-CeO<sub>2</sub> composites with tunable structural and chemical features.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142290"},"PeriodicalIF":2.8,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144654509","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}
引用次数: 0
Phase transition and chemical stability of s-Triazine under static and dynamic compression 静态和动态压缩下s-三嗪的相变和化学稳定性
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-11 DOI: 10.1016/j.cplett.2025.142288
Qingqing Yang , Chaosheng Yuan , Yongfu Liang , Xiang Zhu , Zheng Wang , Xuerui Cheng , Lei Su
{"title":"Phase transition and chemical stability of s-Triazine under static and dynamic compression","authors":"Qingqing Yang ,&nbsp;Chaosheng Yuan ,&nbsp;Yongfu Liang ,&nbsp;Xiang Zhu ,&nbsp;Zheng Wang ,&nbsp;Xuerui Cheng ,&nbsp;Lei Su","doi":"10.1016/j.cplett.2025.142288","DOIUrl":"10.1016/j.cplett.2025.142288","url":null,"abstract":"<div><div>The high-pressure behaviors of 1,3,5-triazine (<em>s</em>-triazine) was investigated under static and dynamic compression to elucidate the effects of compression rate on its phase transitions and chemical reactions. Static compression experiments revealed that <em>s</em>-triazine underwent a phase transition from phase I to phase II at 0.69 GPa and initiated chemical reactions above 10.84 GPa. Dynamic compression, however, resulted in a more chemically stable overpressure phase II’, which maintained its structure up to 17.32 GPa. The distinct responses to compression rates suggest that dynamic compression induces metastable structures of <em>s</em>-triazine that consume energy, preventing chemical reactions below the energy threshold. This study highlights the importance of compression rate in determining the chemical and physical properties of <em>s</em>-triazine under high pressure.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142288"},"PeriodicalIF":2.8,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144611635","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}
引用次数: 0
Photoluminescence property of ESIPT-based HBIA-2OH combined with solvent effect: A theoretical study esipt基HBIA-2OH结合溶剂效应的光致发光性能的理论研究
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-11 DOI: 10.1016/j.cplett.2025.142287
Xingzhu Tang , Lei Wang , Xin Tian , Yulei Zhang , Ye Wang , Chaofan Sun
{"title":"Photoluminescence property of ESIPT-based HBIA-2OH combined with solvent effect: A theoretical study","authors":"Xingzhu Tang ,&nbsp;Lei Wang ,&nbsp;Xin Tian ,&nbsp;Yulei Zhang ,&nbsp;Ye Wang ,&nbsp;Chaofan Sun","doi":"10.1016/j.cplett.2025.142287","DOIUrl":"10.1016/j.cplett.2025.142287","url":null,"abstract":"<div><div>The excited state intramolecular proton transfer (ESIPT) and photoluminescence properties of HBIA-2OH in various solvents are explored employing quantum computational methods. Potential energy curves reveal that the ESIPT process can occur, exhibiting a tiny solvent dependence. Simulated fluorescence spectra demonstrate increasing solvent polarity diminishes enol-form fluorescence, while blue-shifting the keto-form emission. Furthermore, hole-electron analysis combined with dihedral angle changes unveils that concurrent ESIPT process and twist intramolecular charge transfer (TICT) process of HBIA-2OH, explaining weakened keto-form fluorescence. These findings resolve the solvent-regulated ESIPT-TICT synergy of HBIA-2OH, addressing theoretical gaps in its photophysics and guiding rational design of advanced luminescent materials.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142287"},"PeriodicalIF":2.8,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614669","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}
引用次数: 0
Generation of elliptically polarized attosecond pulse trains from asymmetric planar molecules driven by linearly polarized laser fields 线偏振激光场驱动非对称平面分子产生椭圆偏振阿秒脉冲串
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-10 DOI: 10.1016/j.cplett.2025.142270
Siyang Wang, Weiwei Yu
{"title":"Generation of elliptically polarized attosecond pulse trains from asymmetric planar molecules driven by linearly polarized laser fields","authors":"Siyang Wang,&nbsp;Weiwei Yu","doi":"10.1016/j.cplett.2025.142270","DOIUrl":"10.1016/j.cplett.2025.142270","url":null,"abstract":"<div><div>Elliptically polarized attosecond pulse generation in the asymmetric planar molecule NH<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>COSH is investigated under linearly polarized laser irradiation, employing time-dependent density functional theory (TDDFT). The results indicate that modulating the carrier-envelope phase (CEP) of the incident laser field can advance the emission time and enhance the intensities of the generated attosecond pulses. Furthermore, sharp transitions in emission time are observed at specific CEP values. Notably, the generated high-order harmonics in parallel and perpendicular polarization directions demonstrate comparable intensities and similar emission time within a certain CEP range. The corresponding high-order harmonic generation (HHG) spectra exhibit high ellipticity (<span><math><mi>ɛ</mi></math></span> = 0.6), enabling the generation of an elliptically polarized attosecond pulse with a duration of 125 as. This work presents a novel approach to controlling the emission characteristics of attosecond pulses.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142270"},"PeriodicalIF":2.8,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144605568","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}
引用次数: 0
Theoretical investigation of a pyrene-based fluorescent probe for CN−: Recognition-induced TICT suppression and fluorescence turn-on mechanism 基于芘的CN -荧光探针的理论研究：识别诱导的TICT抑制和荧光开启机制
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-10 DOI: 10.1016/j.cplett.2025.142289
Jiaqi Song , Tingting Wang , Xinwei Liu , Meiheng Lv , Huaxin Liu , Yinhua Ma , Fangjian Shang , Wenze Li
{"title":"Theoretical investigation of a pyrene-based fluorescent probe for CN−: Recognition-induced TICT suppression and fluorescence turn-on mechanism","authors":"Jiaqi Song ,&nbsp;Tingting Wang ,&nbsp;Xinwei Liu ,&nbsp;Meiheng Lv ,&nbsp;Huaxin Liu ,&nbsp;Yinhua Ma ,&nbsp;Fangjian Shang ,&nbsp;Wenze Li","doi":"10.1016/j.cplett.2025.142289","DOIUrl":"10.1016/j.cplett.2025.142289","url":null,"abstract":"<div><div>In this study, the mechanism of a pyrene ring-based fluorescent probe PDA for detecting CN<sup>−</sup> was investigated in detail. CN<sup>−</sup> attacks the C<img>C bond in PDA, leading to a nucleophilic addition reaction. The products are proved to exist in molecular form through pKa analysis, and the reaction process is rationalized by the Gibbs free energy profiles. According to FMO and LIIC analyses, the fluorescence quenching of PDA is attributed to TICT mechanism, which is suppressed during the recognition process, hence, the product PDA-CN recovers the fluorescence. These findings provide a theoretical foundation for the design of efficient fluorescence sensors.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142289"},"PeriodicalIF":2.8,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614662","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}
引用次数: 0
A DFT study of ZnO/XN(X = Al, Ga) vdW heterostructure practiced as an encouraging photocatalyst for water splitting ZnO/XN(X = Al, Ga) vdW异质结构作为催化水分解的光催化剂的DFT研究
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-09 DOI: 10.1016/j.cplett.2025.142283
Guan Yongxin , Liu Zhongfang , Chen Yao , Li Huizhan , Wang Hong
{"title":"A DFT study of ZnO/XN(X = Al, Ga) vdW heterostructure practiced as an encouraging photocatalyst for water splitting","authors":"Guan Yongxin ,&nbsp;Liu Zhongfang ,&nbsp;Chen Yao ,&nbsp;Li Huizhan ,&nbsp;Wang Hong","doi":"10.1016/j.cplett.2025.142283","DOIUrl":"10.1016/j.cplett.2025.142283","url":null,"abstract":"<div><div>The electronic structure and photocatalytic properties of ZnO/XN(X = Al, Ga) vdW heterostructure were investigated based on a first-principles approach. The results show that the ZnO/XN(X = Al, Ga) vdW heterostructure is a semiconducting material with band gap values of 2.018 eV and 1.762 eV, which exhibits a staggered band structure with a built-in electric field pointing from ZnO to XN(X = Al, Ga) at the heterojunction interface. The band-edge position spans the redox potential of water, and compared with the monolayer, the ZnO/XN(X = Al, Ga) vdW heterostructure light absorption spectrum is red-shifted, showing a wider light absorption range (from visible to ultraviolet) and stronger light absorption intensity (up to the order of 10<sup>4</sup> cm<sup>−1</sup>). In addition, the band gap of ZnO/XN(X = Al, Ga) vdW can be effectively tuned by applying biaxial strain. The results indicate that the ZnO/XN(X = Al, Ga) vdW heterostructure has the potential to be a new type of efficient photolysis water catalyst.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"877 ","pages":"Article 142283"},"PeriodicalIF":2.8,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144604732","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}
引用次数: 0
Effect of annealing temperature on electronic structure and luminescence properties of Zn:SnO2 thin films 退火温度对Zn:SnO2薄膜电子结构和发光性能的影响
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-09 DOI: 10.1016/j.cplett.2025.142285
Mayora Varshney , Aditya Sharma , Jai Parkash , B.H. Lee , K.H. Chae , S.O. Won
{"title":"Effect of annealing temperature on electronic structure and luminescence properties of Zn:SnO2 thin films","authors":"Mayora Varshney ,&nbsp;Aditya Sharma ,&nbsp;Jai Parkash ,&nbsp;B.H. Lee ,&nbsp;K.H. Chae ,&nbsp;S.O. Won","doi":"10.1016/j.cplett.2025.142285","DOIUrl":"10.1016/j.cplett.2025.142285","url":null,"abstract":"<div><div>Connections among the metal‑oxygen octahedra distortions, electronic structure perturbation and origin of photoluminescence (PL) in aliovalent element (Zn<sup>2+</sup>) doped SnO<sub>2</sub> thin films have been investigated using the near edge X-ray absorption fine structure (NEXAFS) spectroscopy, PL spectroscopy, UV–visible absorption spectroscopy, and X-ray diffraction (XRD). The crystallite increases and the bandgap energy decreases with increasing the annealing temperature. Sn M<sub>5,4</sub> edge and Zn L<sub>3,2</sub>-edge NEXAFS spectra have confirmed the Sn<sup>4+</sup> and Zn<sup>2+</sup> ions in thin films. O K-edge NEXAFS spectra convey Sn<img>O6 distortion. Mechanistically, different oxygen vacancies (<span><math><msubsup><mi>V</mi><mi>O</mi><mn>0</mn></msubsup></math></span>, <span><math><msubsup><mi>V</mi><mi>O</mi><mrow><mo>+</mo><mn>1</mn></mrow></msubsup></math></span> and <span><math><msubsup><mi>V</mi><mi>O</mi><mrow><mo>+</mo><mn>2</mn></mrow></msubsup></math></span>) induced PL intensification has been discussed.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"877 ","pages":"Article 142285"},"PeriodicalIF":2.8,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144604731","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}
引用次数: 0
Comparison of monitoring gas evolution in commercial Li-ion batteries: Differential electrochemical mass spectrometry versus operando internal non-destructive gas sensors 商用锂离子电池中气体演化监测的比较：差分电化学质谱法与operando内部无损气体传感器
IF 2.8 3区 化学
Chemical Physics Letters Pub Date : 2025-07-09 DOI: 10.1016/j.cplett.2025.142284
Siqi Lyu , Kai-Lun Zhang , Yaoda Xin , Na Li , Xiao-Hua Guo , Zhen Liang , Yannan Zhang , Hao-Sen Chen , Wei-Li Song
{"title":"Comparison of monitoring gas evolution in commercial Li-ion batteries: Differential electrochemical mass spectrometry versus operando internal non-destructive gas sensors","authors":"Siqi Lyu ,&nbsp;Kai-Lun Zhang ,&nbsp;Yaoda Xin ,&nbsp;Na Li ,&nbsp;Xiao-Hua Guo ,&nbsp;Zhen Liang ,&nbsp;Yannan Zhang ,&nbsp;Hao-Sen Chen ,&nbsp;Wei-Li Song","doi":"10.1016/j.cplett.2025.142284","DOIUrl":"10.1016/j.cplett.2025.142284","url":null,"abstract":"<div><div>Lithium-ion batteries (LIBs) face capacity degradation and safety risks from internal gas evolution. This study compares differential electrochemical mass spectrometry (DEMS) and in-situ non-dispersive infrared (NDIR) gas sensors for monitoring gas in graphite/NMC811 batteries. DEMS enables real-time gas detection but relies on carrier gases and causes 49.7 % capacity loss in small cells. NDIR sensors in 800 mAh pouch cells offer continuous, non-destructive monitoring with &lt;1 % capacity loss, detecting gas accumulation and consumption. NDIR proves robust for operando gas monitoring in high-capacity LIBs, aiding failure mechanism analysis and safety improvement.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142284"},"PeriodicalIF":2.8,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144605488","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}
引用次数: 0
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