Chemical Physics Letters最新文献_第9页

Copolymerized organosilica membranes for CO2 permeation in wet conditions 共聚有机二氧化硅膜在潮湿条件下的CO2渗透

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-08 DOI: 10.1016/j.cplett.2025.142229

Xuan Yu, Fukang Shi, Meng Guo, Xiuxiu Ren, Jing Zhong

引用次数: 0

Co-precipitation of Rb+ and Cs+ by double center ion copper‑zinc hexacyanoferrate from high Na+ and K+ solution 双中心铜锌六氰铁酸盐在高Na+和K+溶液中共沉淀Rb+和Cs+

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-07 DOI: 10.1016/j.cplett.2025.142226

Chenxi Li , Kang Li , Shina Li , Ruixin Ma

{"title":"Co-precipitation of Rb+ and Cs+ by double center ion copper‑zinc hexacyanoferrate from high Na+ and K+ solution","authors":"Chenxi Li , Kang Li , Shina Li , Ruixin Ma","doi":"10.1016/j.cplett.2025.142226","DOIUrl":"10.1016/j.cplett.2025.142226","url":null,"abstract":"<div><div>Cs+ and Rb+ are important rare alkali metal elements that often coexisting with alkali metals of sodium, potassium, lithium. In this study, two kinds of central ions, Cu2+ and Zn2+, were applied for hexacyanoferrate precipitation to enrich Rb+ and Cs+ from high Na+ and K+ solution. The effects of Cu2+, Zn2+ and Cu2++Zn2+ as central ions on the co-precipitation performance under different reaction conditions were investigated and compared. The study found that the molar ratio of Cu2+/Zn2+ and (Cu2++Zn2+)/(Rb++Cs+) were 2:3 and 0.5, PRCs+ and PRRb+ were 99.98 % and 90.83 %, respectively. The process responds quickly, and the reaction was basically completed in 10 min. In addition, the process was suitable for a wide range of pH and temperature, with stable PRRb+ and PRCs+ in the pH range of 5 to 12 and temperature range of 20 to 100 °C. Co-precipitates containing Cs+ and Rb+ were characterized by ICP-OES, ICP-MS, FT-IR, XRD and XPS, confirm a general formula of Rb0.77Cs0.86K0.15Na0.08Cu0.44Zn0.66Fe(CN)6. The (Cs++Rb+)/(Na++K+) ratio increased significantly from 0.048 to 23.17 before and after precipitation, meaning efficient separation and enrichment of Rb+ and Cs+ from high Na+ and K+ solution.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142226"},"PeriodicalIF":2.8,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144254830","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

Atomically dispersed Ru/FeOx catalyst with high performance for water gas shift reaction 用于水煤气转移反应的高性能原子分散Ru/FeOx催化剂

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-07 DOI: 10.1016/j.cplett.2025.142225

Jinghua Liu , Yuhua Liu , Panpan Zhang , Wujian Zhang , Wenfeng Han , Ying Li , Zongjian Liu , Haodong Tang

引用次数: 0

Formation of ultra-slender CNTs via field emission discharge of CNT films 通过碳纳米管薄膜的场发射放电形成超细长的碳纳米管

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-07 DOI: 10.1016/j.cplett.2025.142218

Yahachi Saito , Koji Asaka

引用次数: 0

Investigation of hole transfer efficiency in MAPbI3 perovskite solar cells with various copper-based hole transport materials using near-field heterodyne transient grating spectroscopy 利用近场外差瞬态光栅光谱研究不同铜基空穴传输材料的MAPbI3钙钛矿太阳能电池空穴转移效率

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-07 DOI: 10.1016/j.cplett.2025.142228

Seung Hyeon Jeong , Hojun Lee , Aram Hong , Evan S.H. Kang , Woon Yong Sohn

引用次数: 0

Stochastic fluctuation-driven escape from extinction: Basics and application to virology 随机波动驱动的灭绝逃逸：病毒学基础及其应用

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-05 DOI: 10.1016/j.cplett.2025.142168

Vladimir P. Zhdanov

引用次数: 0

Study on self-folding mechanism and photoelectric property of three-dimensional graphene cubic structure 三维石墨烯立方结构自折叠机理及光电性能研究

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-05 DOI: 10.1016/j.cplett.2025.142216

Yuan Zang , Lianbi Li , Hao Zhang , Lihan Wang , Zelong Li , Binbin Ding , Jichao Hu , Zebin Li , Guoqing Zhang , Caijuan Xia

{"title":"Study on self-folding mechanism and photoelectric property of three-dimensional graphene cubic structure","authors":"Yuan Zang , Lianbi Li , Hao Zhang , Lihan Wang , Zelong Li , Binbin Ding , Jichao Hu , Zebin Li , Guoqing Zhang , Caijuan Xia","doi":"10.1016/j.cplett.2025.142216","DOIUrl":"10.1016/j.cplett.2025.142216","url":null,"abstract":"<div><div>Graphene exhibits ultra-high carrier mobility, excellent mechanical strength and flexibility, as well as favorable optical properties. However, the aggregation and stacking phenomenon of two-dimensional graphene significantly suppresses these inherent properties. In order to maintain the unique properties of graphene and expand its applications, an innovative autonomous morphology reconstruction strategy is proposed, which achieved the construction of three-dimensional (3D) graphene through a controlled self-folding mechanism. In this paper, the self-folding mechanism of three-dimensional graphene cube is investigated. It is indicated that the primary cause of self-folding is the surface tension generated by the hinge structure after melting. Notably, Photoelectric characterization demonstrates that the 3D-graphene exhibits pronounced wavelength-dependent photo response, achieving 26 % enhancement in photocurrent density under oblique illumination (θ =90°) compared to 2D-graphene, and the 3D-graphene cube produces strong sensitivity to the different angles of the incident light. This work provides insights for the development and application of self-folding graphene and other 3D materials, with high application value in the fields of flexible electronics, supercapacitors and bio-interfaces.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142216"},"PeriodicalIF":2.8,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144261777","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

The vibrational spectroscopy and thermochemistry of CeF4 and TbF4 from first principles 基于第一性原理的CeF4和TbF4的振动光谱和热化学

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-04 DOI: 10.1016/j.cplett.2025.142221

Alexander N. Smirnov, Ilya S. Navarkin, Victor G. Solomonik

引用次数: 0

Preparation of high entropy carbide nanowires and its enhanced oxygen evolution reaction 高熵碳化物纳米线的制备及其强化析氧反应

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-04 DOI: 10.1016/j.cplett.2025.142224

Xueqin Yuan , Qingwan Wang , Wanxin Wu , Lei Yang

{"title":"Preparation of high entropy carbide nanowires and its enhanced oxygen evolution reaction","authors":"Xueqin Yuan , Qingwan Wang , Wanxin Wu , Lei Yang","doi":"10.1016/j.cplett.2025.142224","DOIUrl":"10.1016/j.cplett.2025.142224","url":null,"abstract":"<div><div>High entropy compounds, with high entropy carbide (HEC) as typical representatives, have drawn significant attention because of their distinctive atomic arrangement and remarkable properties. It has been proven that reducing the dimension is an effective way to optimize the electrocatalytic performance of electrocatalysts. In this work, one dimensional (Fe0.2Co0.2Ni0.2Cu0.2Mn0.2)5C2 HEC nanowires were synthesized for the first time through electrospinning followed by a high temperature carbonization process. Owing to the synergistic effect among the metal elements and the larger specific surface area of the one dimensional structure, the HEC nanowires exhibited superior electrocatalytic activities for the oxygen evolution reaction (OER) compared to the medium entropy compound (MEC) nanowires. It needed an overpotential of 397 mV at a current density of 10 mA/cm2, and a Tafel slope of 70 mV/dec. Moreover, the HEC nanowires also demonstrated favorable stability in 1.0 M KOH solution. By enhancing surface area via introducing a porous structure and optimizing nanowire diameter, the OER performance of porous HEC nanowires was significantly enhanced, achieving an overpotential of 250 mV at a current density of 10 mA/cm2 and a Tafel slope of 58 mV/dec. This work provides a straightforward approach for the fabrication of HEC nanowires, which holds significant promise in the electrocatalytic OER process.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142224"},"PeriodicalIF":2.8,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144230601","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

Unveiling the ring-deformation-driven photostability of isolated G-C Base pair: A CASPT2//CASSCF and nonadiabatic dynamics perspective 揭示环变形驱动的分离G-C碱基对光稳定性：CASPT2//CASSCF和非绝热动力学视角

IF 2.8 3区化学

Chemical Physics Letters Pub Date : 2025-06-04 DOI: 10.1016/j.cplett.2025.142223

Wenhui Yan , Yuxuan Liu , Xuehui Geng, Yuying Liu, Xiaoqian Li, Yahui Guo, Zhijie Xu, Li Zhao

{"title":"Unveiling the ring-deformation-driven photostability of isolated G-C Base pair: A CASPT2//CASSCF and nonadiabatic dynamics perspective","authors":"Wenhui Yan , Yuxuan Liu , Xuehui Geng, Yuying Liu, Xiaoqian Li, Yahui Guo, Zhijie Xu, Li Zhao","doi":"10.1016/j.cplett.2025.142223","DOIUrl":"10.1016/j.cplett.2025.142223","url":null,"abstract":"<div><div>The photostability of DNA and RNA, critical for maintaining genetic integrity, is closely tied to ultrafast nonradiative decay mechanisms that dissipate excess electronic energy. While proton transfer processes have long been hypothesized as central to this protection, the precise decay pathways in Watson-Crick base pairs remain debated. Here, we systematically investigate the photoinduced dynamics of the guanine-cytosine (G-C) pair using high-level CASSCF//CASPT2 electronic structure calculations and full-dimensional nonadiabatic excited-state dynamics simulations following ππ* excitation. Our results reveal that the out-of-plane ring deformation of the guanine moiety, rather than excited-state intramolecular proton transfer (ESIPT), plays a dominant role in the nonradiative decay process. Critical conical intersections along the S1/S0 pathways arise from ring puckering motion, enabling sub-300 fs internal conversion to the ground state. Notably, the decay mechanism mirrors that of isolated guanine, with intramolecular hydrogen bonding in the G-C pair exerting minimal influence on the dominant deformation coordinates. These findings challenge the traditional proton-transfer-centric model and establish structural flexibility, particularly ring distortion, as a universal photostability determinant in nucleobases. By elucidating the intrinsic role of geometric reorganization in energy dissipation, this work provides a unified framework for understanding DNA's resistance to UV-induced damage and offers valuable molecular-level insights for designing biomimetic photostable biomimetic materials.</div></div>","PeriodicalId":273,"journal":{"name":"Chemical Physics Letters","volume":"876 ","pages":"Article 142223"},"PeriodicalIF":2.8,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144243005","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