发布求助
文献互助 智能选刊 最新文献

Chemical Physics Letters最新文献

筛选
英文 中文
Formation of radical cations of para-substituted polystyrenes in dichloroethane by electron beam pulse irradiation 电子束脉冲辐照在二氯乙烷中对取代聚苯乙烯自由基阳离子的形成
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-11-25 DOI: 10.1016/j.cplett.2025.142558
Kazumasa Okamoto , Yusa Muroya , Takahiro Kozawa
{"title":"Formation of radical cations of para-substituted polystyrenes in dichloroethane by electron beam pulse irradiation","authors":"Kazumasa Okamoto , Yusa Muroya , Takahiro Kozawa","doi":"10.1016/j.cplett.2025.142558","DOIUrl":"10.1016/j.cplett.2025.142558","url":null,"abstract":"","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142558"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145623060","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
Fluorinated nanoporous organic polymer with pendant methoxyl groups for effective greenhouse gas sulfur hexafluoride separation 具有悬垂甲氧基的氟化纳米孔有机聚合物，用于有效分离温室气体六氟化硫
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-12-02 DOI: 10.1016/j.cplett.2025.142568
Gen Li , Chen Jiang , Zhongcheng Ma , Xiaoting Deng
{"title":"Fluorinated nanoporous organic polymer with pendant methoxyl groups for effective greenhouse gas sulfur hexafluoride separation","authors":"Gen Li ,&nbsp;Chen Jiang ,&nbsp;Zhongcheng Ma ,&nbsp;Xiaoting Deng","doi":"10.1016/j.cplett.2025.142568","DOIUrl":"10.1016/j.cplett.2025.142568","url":null,"abstract":"<div><div>Prompted by lessening the environment impact of sulfur hexafluoride, fluorinated porous polymers exhibit excellent fluorine-containing special gases adsorption. Herein, “one-pot” preparation (A0 + B1) of methoxyl group rich nanoporous organic polymer (FNOP-OCH<sub>3</sub>) from 1,3,5-triphenylbenzene (TPB) with 2,2,2-trifluoro-2′,4′-dimethoxyacetophenone (TDA) catalyzed by liquid organic acids. The FNOP-OCH<sub>3</sub> possesses BET surface areas of 716 m<sup>2</sup> g<sup>−1</sup>, as well as pore volume of 0.7 cm<sup>3</sup> g<sup>−1</sup><em>.</em> Ideal adsorbed solution theory (IAST) investigation shows that the FNOP-OCH<sub>3</sub> can effectively separate SF<sub>6</sub> gas over N<sub>2</sub> with SF<sub>6</sub>/N<sub>2</sub> selectivity up to 62.4 due to strong interaction of polymer toward SF<sub>6</sub> and molecule sieving effect.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142568"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748911","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
Designing dual-atom catalysts for CO2 reduction reactions: Synergistic effects of Ni-Fe in the NiFeN5P/C60 设计CO2还原反应的双原子催化剂：Ni-Fe在NiFeN5P/C60中的协同作用
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-12-05 DOI: 10.1016/j.cplett.2025.142599
Qamar Abuhassan , Ahmed Aldulaimi , Omayma Salim Waleed , G. PadmaPriya , Subhashree Ray , Y. Sasikumar , Renu Sharma , Saodatkhon Ibragimova , Rafiqjon Kazakov , Zukhra Atamuratova , Aseel Smerat
{"title":"Designing dual-atom catalysts for CO2 reduction reactions: Synergistic effects of Ni-Fe in the NiFeN5P/C60","authors":"Qamar Abuhassan ,&nbsp;Ahmed Aldulaimi ,&nbsp;Omayma Salim Waleed ,&nbsp;G. PadmaPriya ,&nbsp;Subhashree Ray ,&nbsp;Y. Sasikumar ,&nbsp;Renu Sharma ,&nbsp;Saodatkhon Ibragimova ,&nbsp;Rafiqjon Kazakov ,&nbsp;Zukhra Atamuratova ,&nbsp;Aseel Smerat","doi":"10.1016/j.cplett.2025.142599","DOIUrl":"10.1016/j.cplett.2025.142599","url":null,"abstract":"<div><div>We employ density functional theory (DFT) calculations to explore CO<sub>2</sub> reduction on Fe<sub>2</sub>N<sub>5</sub>P/C<sub>60</sub> and its heteronuclear variants, CoFeN<sub>5</sub>P/C<sub>60</sub> and NiFeN<sub>5</sub>P/C<sub>60</sub>. Fe<sub>2</sub>N<sub>5</sub>P/C<sub>60</sub> shows a high ΔG*H (&gt;0.61 eV), favoring CO<sub>2</sub>RR over HER. Phosphorus enhances intermediate stabilization and Fe site activity. NiFeN<sub>5</sub>P/C<sub>60</sub> exhibits superior synergy due to its electronic structure and reduced Fe charge, achieving a low limiting potential (−0.27 V) and overpotential (0.16 V). These results highlight the catalytic promise of Fe<sub>2</sub>N<sub>5</sub>P-based DACs and the role of transition metal pairing in optimizing CO<sub>2</sub>RR performance.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142599"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748913","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
First-principles investigation of hydrogen storage capacity on Na- and K-decorated Dodecanophene 钠和钾修饰的十二碳烯储氢能力的第一性原理研究
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-12-04 DOI: 10.1016/j.cplett.2025.142597
Lorran Tesch da Silva, Ana Claudia Monteiro Carvalho, Fernando Sato
{"title":"First-principles investigation of hydrogen storage capacity on Na- and K-decorated Dodecanophene","authors":"Lorran Tesch da Silva,&nbsp;Ana Claudia Monteiro Carvalho,&nbsp;Fernando Sato","doi":"10.1016/j.cplett.2025.142597","DOIUrl":"10.1016/j.cplett.2025.142597","url":null,"abstract":"<div><div>In this work, we explore the hydrogen storage capacity of the recently reported Dodecanophene monolayer and its Na- and K-decorated forms through ab initio calculations. Our results showed the stability of the decorated monolayers and the improved adsorption energies over the pristine monolayer, with gravimetric storage densities of 10.59 wt% for the pristine monolayer and 6.34 wt% and 6.93 wt% for Na- and K-decorated monolayers, respectively, meeting DOE’s targets. Thermodynamic analyses further indicate the reversible hydrogen storage under practical storage/release conditions.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142597"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748917","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
Probing the optoelectronic properties of Sc2CF2/XC (X = Ge, Si) vertical heterojunctions via first-principles calculations 利用第一性原理计算探测Sc2CF2/XC （X = Ge, Si）垂直异质结的光电特性
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-11-26 DOI: 10.1016/j.cplett.2025.142566
Meng Guo, Taifei Zhao, Zhen Cui
{"title":"Probing the optoelectronic properties of Sc2CF2/XC (X = Ge, Si) vertical heterojunctions via first-principles calculations","authors":"Meng Guo,&nbsp;Taifei Zhao,&nbsp;Zhen Cui","doi":"10.1016/j.cplett.2025.142566","DOIUrl":"10.1016/j.cplett.2025.142566","url":null,"abstract":"<div><div>Density functional theory (DFT) calculations reveal that vertical Sc<sub>2</sub>CF<sub>2</sub>/XC (X = GeC, SiC) heterojunctions exhibit type-II band alignment with HSE06 bandgaps of 1.75 eV and 1.42 eV, facilitating charge separation. XC acts as an electron donor, transferring 0.02 |e| to Sc<sub>2</sub>CF<sub>2</sub>. The SiC/Sc<sub>2</sub>CF<sub>2</sub> HJ exhibits a significant interfacial potential drop of 11.28 eV, indicating strong charge redistribution. The two HJs indicate that the photocurrent varies periodically with the angle.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142566"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691825","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
He+ and Ar+ reactions with perfluoroalkyl carboxylic acids: Degradation of PFBA and PFOA He+和Ar+与全氟烷基羧酸的反应：PFBA和PFOA的降解
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-11-28 DOI: 10.1016/j.cplett.2025.142582
Virginia G. Rodriguez , Nicole Eyet , Shaun G. Ard , Albert A. Viggiano , Nicholas S. Shuman
{"title":"He+ and Ar+ reactions with perfluoroalkyl carboxylic acids: Degradation of PFBA and PFOA","authors":"Virginia G. Rodriguez ,&nbsp;Nicole Eyet ,&nbsp;Shaun G. Ard ,&nbsp;Albert A. Viggiano ,&nbsp;Nicholas S. Shuman","doi":"10.1016/j.cplett.2025.142582","DOIUrl":"10.1016/j.cplett.2025.142582","url":null,"abstract":"<div><div>Products of perfluorobutanoic acid and perfluorooctanoic acid with Ar+He+ are reported. Charge transfer occurs efficiently in all cases, followed by dissipation of the substantial excess energy through dissociation of the PFCA cation. The dominant dissociation channels are either carbon‑carbon bond cleavage along the carbon chain backbone or a concerted HF/CO<sub>2</sub> elimination. Less prevalent channels are loss of the hydrogen atom or a single fluorine atom. As excess reaction energy increases, HF/CO<sub>2</sub> elimination decreases and carbon‑carbon bond cleavage increases. The trend is qualitatively explicable as the simple bond cleavage is energetically dis-preferred but entropically favored.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142582"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692403","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
SOMO-HOMO inversion in Blatter radical derivatives via substituent functionalization 通过取代基功能化的布拉特基衍生物的SOMO-HOMO反转
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-12-04 DOI: 10.1016/j.cplett.2025.142593
Ying Gao , Yan-Chun Liu , Yong Wu
{"title":"SOMO-HOMO inversion in Blatter radical derivatives via substituent functionalization","authors":"Ying Gao ,&nbsp;Yan-Chun Liu ,&nbsp;Yong Wu","doi":"10.1016/j.cplett.2025.142593","DOIUrl":"10.1016/j.cplett.2025.142593","url":null,"abstract":"<div><div>We propose a design strategy for Blatter radical derivatives showing SOMO–HOMO inversion (SHI). Starting from a planar Blatter analogue, derivatives (1–6_R) with various substituents (Cz, DPL, PT, PPTA) were investigated using density functional theory. SHI occurs only in selected systems, such as 2–5_PT, where SOMO and HOMO become nearly degenerate. Further tuning shows that only –N(CH<sub>3</sub>)<sub>2</sub> on the PT group induces SHI, yielding pronounced SOMO–HOMO gaps. These findings indicate that PT and –N(CH<sub>3</sub>)<sub>2</sub> can be strategically employed to develop SHI-type Blatter radical derivatives for organic optoelectronics.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142593"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692404","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
Boosting propane combustion over Ag-CoOx nanocatalysts: Structure – activity insights 促进丙烷燃烧的Ag-CoOx纳米催化剂：结构-活性的见解
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-11-29 DOI: 10.1016/j.cplett.2025.142567
Zhao Liu , Ting He , Huizhen Huang , Hai Xu , Xichuan Liu , Yi Jiang
{"title":"Boosting propane combustion over Ag-CoOx nanocatalysts: Structure – activity insights","authors":"Zhao Liu ,&nbsp;Ting He ,&nbsp;Huizhen Huang ,&nbsp;Hai Xu ,&nbsp;Xichuan Liu ,&nbsp;Yi Jiang","doi":"10.1016/j.cplett.2025.142567","DOIUrl":"10.1016/j.cplett.2025.142567","url":null,"abstract":"<div><div>Ag-doped cobalt oxide (CoO<sub>x</sub>) nanocatalysts were synthesized using citric acid complexation with 1,3-propanediol (PDO) solvent system for catalytic combustion of propane. The catalyst designated as 1AgCo-PDO, containing 1 % Ag, achieves optimal low-temperature catalytic activity with a T<sub>90</sub> of 218 °C, surpassing the undoped CoO<sub>x</sub> catalyst. This enhanced activity results from the optimal Ag content, which endows 1AgCo-PDO with the weakest Co<img>O bond strength of CoO<sub>4</sub>, the highest molar ratio of Co<sup>2+</sup>/Co<sup>3+</sup> (1.41) and O<sub>ads</sub>/O<sub>latt</sub> (1.64), excellent oxygen species activity, abundant oxygen vacancies, and the strongest redox capacity. These findings highlight the potential of these materials as alternative noble metal catalysts.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142567"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145691823","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 insights into the mechanism of hydrazine decomposition catalyzed by Ru-based catalysts 钌基催化剂催化肼分解机理的理论认识
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-11-26 DOI: 10.1016/j.cplett.2025.142565
Huaxin Liu , Meiheng Lv , Yinhua Ma , Jianyong Liu , CaiFeng Wang , Fangjian Shang
{"title":"Theoretical insights into the mechanism of hydrazine decomposition catalyzed by Ru-based catalysts","authors":"Huaxin Liu ,&nbsp;Meiheng Lv ,&nbsp;Yinhua Ma ,&nbsp;Jianyong Liu ,&nbsp;CaiFeng Wang ,&nbsp;Fangjian Shang","doi":"10.1016/j.cplett.2025.142565","DOIUrl":"10.1016/j.cplett.2025.142565","url":null,"abstract":"<div><div>Significant breakthroughs have been achieved in the development of newly developed ruthenium-based catalysts for propellant catalytic combustion, which have been successfully applied in launch vehicles. However, the mechanistic role of these new ruthenium-based catalysts remains unclear. Based on metadynamics simulations, the mechanism of hydrazine decomposition catalyzed by ruthenium-based catalysts was investigated in this study. It was found that the N<img>H bonds in N₂H₄ are effectively weakened by Ru, thereby facilitating the decomposition of hydrazine. Furthermore, the catalytic activity was also influenced by the structure of the Al₂O₃ support surface and its initial hydrogen coverage.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142565"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692410","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
Analysis of local structure similarity for liquid gallium near the melting point: partial resemblances to crystalline structures 熔点附近液态镓的局部结构相似性分析：与晶体结构的部分相似性
IF 3.1 3区 化学
Chemical Physics Letters Pub Date : 2026-02-01 Epub Date: 2025-11-25 DOI: 10.1016/j.cplett.2025.142557
Chui-Zheng Sun, Lin-Yuan Chen, Ten-Ming Wu
{"title":"Analysis of local structure similarity for liquid gallium near the melting point: partial resemblances to crystalline structures","authors":"Chui-Zheng Sun,&nbsp;Lin-Yuan Chen,&nbsp;Ten-Ming Wu","doi":"10.1016/j.cplett.2025.142557","DOIUrl":"10.1016/j.cplett.2025.142557","url":null,"abstract":"<div><div>The local structure similarity was used to compare local structures of solid-like atoms in liquid Ga with four crystalline counterparts, where liquids were generated by <em>AIMD</em> simulations. The solid-like atoms had partial resemblances in local structure to each crystal but more similar as β-Ga than the other threes. As a merge together of two solid-like atoms characterized by fourfold orientational symmetry and high resemblances to β-Ga, the solid-like atoms and their common neighbors had a possibility to form 2D-rhombic units proposed as a cause for the high-momentum shoulder in the static structure factor of liquid Ga near the melting point.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"884 ","pages":"Article 142557"},"PeriodicalIF":3.1,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145692406","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
首页 上一页 下一页 尾页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：604180095
Book学术官方微信
小红书