Chemical Physics最新文献

Mechanistic investigation into a bifunctional fluorescent probe based on excited state intramolecular double proton transfer process 基于激发态分子内双质子转移过程的双功能荧光探针的机理研究

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-27 DOI: 10.1016/j.chemphys.2026.113099

Ying Zhao, Hongbin Zhuang, Xin Xin, Tiantian Qiao, Wei Shi

The excited state intramolecular double proton transfer (ESIDPT) is a complex process. Systematic research on it is conducive to understanding the mechanism of molecular tautomerism and developing new probe molecules. In this work, the density functional theory (DFT) and the time-dependent density functional theory (TD-DFT) methods are used to reveal the ESIDPT mechanism of compound named probe1, derived from 2-Aminothiophenol, 4-aminosalicylic acid and salicylaldehyde. The potential energy surfaces (PESs) analysis meticulously incorporates potential energy curves (PECs) analysis and energy barrier values to confirm the path of the ESIDPT process. Furthermore, the path of the ESIDPT process is verified by the reduced density gradient (RDG) analysis, topological parameters, the core-valence bifurcation (CVB) index and hydrogen bonding energies. In addition, the electron transfer and charge redistribution under photoexcitation, resulting from the electron density of the O₁ and O₄ atoms decreased, while that N₃ and N₆ atoms increased, leading to the distinct different of H proton transfer for intramolecular hydrogen bond 1 (IHB1) and intramolecular hydrogen bond 2 (IHB2). Our work provides deep insights in multi-step proton transfer mechanism through various means and offers theoretical basis for the development of new fluorescent probe molecules.

激发态分子内双质子转移是一个复杂的过程。对其进行系统的研究，有助于认识分子互变异构的机理，开发新的探针分子。本文采用密度泛函理论（DFT）和时间依赖密度泛函理论（TD-DFT）方法揭示了由2-氨基噻吩、4-氨基水杨酸和水杨醛合成的化合物probe1的ESIDPT机理。势能面（PESs）分析精心结合了势能曲线（PECs）分析和能垒值，以确定ESIDPT过程的路径。此外，通过还原密度梯度（RDG）分析、拓扑参数、核价分岔（CVB）指数和氢键能验证了ESIDPT过程的路径。此外，在光激发下，O1和O4原子的电子密度降低，而N3和N6原子的电子密度增加，导致分子内氢键1 （IHB1）和分子内氢键2 （IHB2）的H质子转移有明显不同。我们的工作通过多种手段对质子多步转移机理有了深入的认识，为开发新型荧光探针分子提供了理论依据。

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引用次数: 0

Broadband near-infrared emission improvement of Cr3+ doped phosphors via co-doping Bi3+ ions 通过共掺杂Bi3+离子改善Cr3+掺杂荧光粉的宽带近红外发射性能

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-27 DOI: 10.1016/j.chemphys.2026.113098

Renping Cao, Chunxi Lin, Jiaxin Lin, Ruirui Yang, Fangrui Cheng, Jingheng Nie, Xiaochun Li, Zhulei Lei

Cr³⁺ doped luminescence materials have been investigated widely and their luminescence property improvements are becoming a research hotspot by the researchers. In this work, we study the broadband near-infrared emission improvement and synthesis of Cr³⁺ doped perovskite (Li_1.6Mg_1.6Sn_2.8O₈:Cr³⁺) via co-doped Bi³⁺ ions. The crystal structure, morphology, and luminescence properties of samples are investigated, respectively. Photoluminescence (PL) spectra of Li_1.6Mg_1.6Sn_2.8O₈:R (R = Cr³⁺, Cr³⁺/Bi³⁺) in the range of 650 - 1250 nm are observed with a broad PL band and ∼186 nm full width at half maximum due to the ⁴T₂(⁴F) → ⁴A₂ transition of Cr³⁺ ion in weak crystal field. The spectral intensity of Li_1.6Mg_1.6Sn_2.8O₈:Cr³⁺ can be enhanced ∼2.4 times because of the change of crystal field when the co-doped Bi³⁺ ions is ∼4 mol%. The good luminous thermal stability of Li_1.6Mg_1.6Sn_2.8O₈:Cr³⁺, Bi³⁺ is confirmed by using PL spectra under the temperature from 300 to 450 K. The concentration/thermal quenching and luminescence mechanisms of Li_1.6Mg_1.6Sn_2.8O₈:R (R = Cr³⁺, Cr³⁺/Bi³⁺) are analyzed and explained. This paper content can provide help for the improving emission of Cr³⁺ doped luminescence materials.

Cr3+掺杂发光材料得到了广泛的研究，其发光性能的改善成为研究人员的研究热点。本文研究了通过共掺杂Bi3+离子改善Cr3+掺杂钙钛矿（Li1.6Mg1.6Sn2.8O8:Cr3+）的宽带近红外发射和合成。研究了样品的晶体结构、形貌和发光性能。Li1.6Mg1.6Sn2.8O8:R （R = Cr3+, Cr3+/Bi3+）的光致发光光谱在650 ~ 1250 nm范围内，由于Cr3+离子在弱晶体场中发生4T2（4F）→4A2跃迁，具有较宽的光致发光带，半宽约186 nm。当共掺杂Bi3+离子为~ 4 mol%时，Li1.6Mg1.6Sn2.8O8:Cr3+的光谱强度由于晶体场的变化而提高了~ 2.4倍。在300 ~ 450 K范围内，利用PL光谱证实了Li1.6Mg1.6Sn2.8O8:Cr3+， Bi3+具有良好的发光热稳定性。分析并解释了Li1.6Mg1.6Sn2.8O8:R （R = Cr3+, Cr3+/Bi3+）的浓度/热猝灭和发光机理。本文的研究内容可以为提高Cr3+掺杂发光材料的发射性能提供帮助。

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引用次数: 0

Computational and spectroscopic insights into 2-(3-methylureido)acetic acid (MUA) adsorption and sensing on coinage bimetallic nanoclusters 2-（3-甲基脲）乙酸（MUA）在双金属纳米团簇上的吸附和传感的计算和光谱研究

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-26 DOI: 10.1016/j.chemphys.2026.113100

Jamelah S. Al-Otaibi , Fowzia S. Alamro , Aljawhara H. Almugrin , Y. Sheena Mary , Gaurav Jhaa , Roxy. M.S , Maria Cristina Gamberini

Ultrasmall bimetallic coinage nanoclusters are attractive platforms for drug delivery and chemical sensing because their electronic structure can be tuned by composition and surface functionalization. Here we use DFT, NCIs, and MD to examine how 2-(3-methylureido)acetic acid (MUA) binds to coinage clusters X₆ and X₄Y₂ (X, Y = Ag, Au, Cu, Ni). Three binding motifs are considered, with the cluster approaching to the CO (MUA1), COOH (MUA2), or NH site (MUA3). For all metals, adsorption is exothermic and strongest when cluster interacts with the carbonyl oxygen, with particularly large binding energies for Ni- and Au-containing systems such as Ag₄Ni₂-MUA1, Cu₄Ni₂-MUA1 and Cu₄Au₂-MUA1. Changes in the frontier gap and the calculated recovery times point to composition-dependent conductivity and desorption kinetics, suggesting that these clusters can operate as reusable drug carriers and SERS-active sensing platforms. MD simulation on (111) metal slabs support cluster-level results and confirm robust MUA adsorption at room temperature.

由于其电子结构可以通过组成和表面功能化来调节，因此超小双金属铸币纳米团簇是药物传递和化学传感的有吸引力的平台。在这里，我们使用DFT， NCIs和MD来研究2-（3-甲基脲基）乙酸（MUA）如何结合到合成簇X6和X4Y2 （X, Y = Ag, Au, Cu, Ni）上。考虑了三个结合基序，簇接近CO (MUA1), COOH （MUA2）或NH位点（MUA3）。对于所有的金属，当簇与羰基氧相互作用时，吸附都是放热的，并且是最强的，对于含Ni和au的体系，如Ag4Ni2-MUA1， Cu4Ni2-MUA1和Cu4Au2-MUA1，具有特别大的结合能。边界间隙的变化和计算的恢复时间指向依赖于成分的电导率和解吸动力学，表明这些簇可以作为可重复使用的药物载体和sers主动传感平台。在（111）金属板上进行的MD模拟支持团簇水平的结果，并证实了在室温下对MUA的强劲吸附。

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引用次数: 0

Morphology-driven tailoring of CeO2 supports: steering interface electronic structure and oxygen dynamics of LaCo0.8Ni0.2O3 for enhanced toluene oxidation 形态驱动的CeO2载体裁剪：LaCo0.8Ni0.2O3导向界面电子结构和氧动力学增强甲苯氧化

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-26 DOI: 10.1016/j.chemphys.2026.113101

Lingzhi Luo , Yijing Wang , Jiabin Zhou , Xianjie Liu , Quanjun Xiang

Interface microenvironment regulation serves as an effective approach for targeted optimization of interfacial electron transfer. CeO₂-supported LCN/CeO₂ catalysts in cubic, octahedral, and rod-like morphologies were synthesized, with a focus on their structure-activity relationships and catalytic mechanisms in the oxidation of toluene. Under 1000 ppm toluene and GHSV 30000 mL·g⁻¹·h⁻¹, octahedral LCN/CeO₂-o showed highest activity (T₅₀ = 215 °C, T₉₀ = 232 °C). This superiority was attributed to its larger specific surface area, higher Ce³⁺/Ce⁴⁺ ratio, abundant adsorbed oxygen species, and strong interfacial interaction between LCN and octahedral CeO₂. This work provides a feasible morphology-oriented strategy for the rational design of high-efficiency catalysts for VOC oxidation.

界面微环境调控是有针对性地优化界面电子传递的有效途径。合成了立方、八面体和棒状三种结构的负载型LCN/CeO2催化剂，重点研究了它们在甲苯氧化中的构效关系和催化机理。在1000ppm甲苯和30000 mL·g−1·h−1 GHSV条件下，八面体LCN/CeO2-o表现出最高的活性（T50 = 215℃，T90 = 232℃）。这主要是由于LCN具有较大的比表面积、较高的Ce3+/Ce4+比、丰富的吸附性以及与八面体CeO2之间强的界面相互作用。本研究为合理设计高效VOC氧化催化剂提供了一种可行的形态学导向策略。

引用次数: 0

Effect of the water concentration on physical properties and ion transport of the 1-ethyl-3-methylimidazolium chloride/poly(vinylidene fluoride) system: A molecular dynamics simulation 水浓度对1-乙基-3-甲基咪唑氯/聚偏氟乙烯体系物理性质和离子传输的影响：分子动力学模拟

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-20 DOI: 10.1016/j.chemphys.2026.113097

Minghe Qu , Shenshen Li , Yan Tan , Lei Guo , Xiangyang Lin , Kai Wang , Jun Chang

We used molecular dynamics simulations to study effect of the water concentration on physical properties and ion transport for the 1-ethyl-3-methylimidazolium chloride/poly(vinylidene fluoride) (EMICl/PVDF) system with 40.03 wt% of EMICl. First of all, we obtain from the pair correlation function that the local spatial structures of EMI⁺-Cl⁻, Cl⁻-H₂O and EMI⁺-H₂O tend to weaken, while H₂O-H₂O tends to increase first and then weaken. Secondly, the binding force of Cl⁻-EMI⁺, Cl⁻-PVDF and EMI⁺-PVDF gradually weaken, and ions form clusters with water molecules. The diffusion coefficients of water molecules, anions and cations gradually increase, and the transference numbers of anions and cations increase and decrease respectively, indicating that the diffusion coefficient of anions increases faster than that of cations as the water concentration increases. Finally, ideal conductivity and true ionic conductivity gradually increase; compared with anhydrous EMICl/PVDF system, ion-correlated motion is firstly larger, and then smaller.

采用分子动力学模拟研究了水浓度对EMICl质量分数为40.03 wt%的1-乙基-3-甲基咪唑氯/聚偏氟乙烯（EMICl/PVDF）体系物理性质和离子输运的影响。首先，由对相关函数得到EMI+-Cl−、Cl−h2o和EMI+-H2O的局部空间结构有减弱的趋势，而H2O-H2O有先增大后减弱的趋势。其次，Cl−-EMI+、Cl−-PVDF和EMI+-PVDF的结合力逐渐减弱，离子与水分子形成团簇。水分子、阴离子和阳离子的扩散系数逐渐增大，阴离子和阳离子的转移数分别增加和减少，说明随着水浓度的增加，阴离子的扩散系数比阳离子的扩散系数增加得更快。最后，理想电导率和真实离子电导率逐渐增大；与无水EMICl/PVDF体系相比，离子相关运动先大后小。

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引用次数: 0

The mechanism of excited-state proton transfer of 2,4,6-tris(2,4-dihydroxyphenyl)-1,3,5-triazine in dimethyl sulfoxide solution 2,4,6-三（2,4-二羟基苯基）-1,3,5-三嗪在二甲基亚砜溶液中的激发态质子转移机理

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-16 DOI: 10.1016/j.chemphys.2026.113096

Xintian Song, Zhongxin Zhang, Reyihanguli Tudi, Abulimiti Yasen, Mei Xiang, Bumaliya Abulimiti

2,4,6-Tris(2,4-dihydroxyphenyl)-1,3,5-triazine, as an ultraviolet (UV) absorber intermediate with excellent performance, holds significant application value in fields such as industrial and agricultural sun-protective coatings and medical UV-protective materials, owing to its high-efficiency UV absorption capacity, radiation protection properties, and biological activity. However, this molecule contains three potential hydrogen bond sites for proton transfer (O14-H35···N3, O22-H40···N5, O30-H45···N5), which endow its excited-state proton transfer (ESPT) behavior with a unique “synergistic/competitive” effect. Yet systematic research on the ESPT mechanism regulated by its multiple hydrogen bond sites remains unexplored. In this study, density functional theory (DFT) combined with the self-consistent field (SCF) method was employed to conduct an in-depth analysis of the molecule's structural and electronic properties, particularly the nature of hydrogen bonds. Conclusions derived from the potential energy surface scan demonstrate that the TDTA molecule can undergo a synchronous excited-state proton transfer process. This research clarifies the proton transfer law of the molecule's multiple hydrogen bond sites and provides a reliable theoretical basis for the structural design of UV-protective materials based on this molecule.

2,4,6-三（2,4-二羟基苯基）-1,3,5-三嗪是一种性能优异的紫外线吸收中间体，由于其高效的紫外线吸收能力、辐射防护性能和生物活性，在工农业防晒涂料和医用防紫外线材料等领域具有重要的应用价值。然而，该分子含有3个质子转移的潜在氢键位点（O14-H35··N3, O22-H40··N5, O30-H45··N5），这使其激发态质子转移（ESPT）行为具有独特的“协同/竞争”效应。然而，对其多个氢键位点调控的ESPT机制的系统研究仍未展开。本研究采用密度泛函理论（DFT）结合自洽场（SCF）方法，深入分析了分子的结构和电子性质，特别是氢键的性质。势能表面扫描结果表明，TDTA分子可以发生同步激发态质子转移过程。本研究阐明了该分子多个氢键位点的质子转移规律，为基于该分子的防紫外线材料结构设计提供了可靠的理论依据。

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引用次数: 0

Theoretical insights into the substituent-regulated ESIPT and TICT mechanisms for high-performance phosgene detection 取代基调控的ESIPT和TICT机制在高性能光气检测中的理论见解

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-16 DOI: 10.1016/j.chemphys.2026.113095

Hang Qu, Hongyan Mu, Tianyu Cui, Jiaan Gao, Hui Li

Understanding the influence of substituents on excited-state intramolecular proton transfer (ESIPT) and photoluminescence mechanisms is essential for designing advanced sensors. In this study, we used quantum chemical calculations to explore the effect of different substituents—-NH₂, H, and -CN—on the ESIPT behavior and phosgene-sensing performance of benzimidazole derivatives. Our results show that the electron-donating amino group (-NH₂) enhances Keto* emission at 545.6 nm. However, upon phosgene exposure, ESIPT is suppressed in the product P1-NH₂-CO. This leads to a blue-shifted Enol* emission at 324.8 nm and a visible fluorescence color change. In contrast, the neutral (H) and electron-withdrawing (-CN) substituents undergo both ESIPT and twisted intramolecular charge transfer (TICT). TICT-induced non-radiative decay reduces Keto* emission, leaving a weak Enol* fluorescence with negligible signal variation. These findings highlight the critical role of substituent electronic effects in modulating ESIPT/TICT pathways, providing valuable insights for designing high-performance phosgene detection fluorescent probes.

了解取代基对激发态分子内质子转移（ESIPT）和光致发光机制的影响对设计先进的传感器至关重要。在这项研究中，我们使用量子化学计算来探索不同取代基——NH₂，H和- cn对苯并咪唑衍生物的ESIPT行为和光气传感性能的影响。结果表明，给电子氨基（- nh2）增强了Keto*在545.6 nm的发射。然而，在光气暴露后，ESIPT在产物P1-NH₂-CO中被抑制。这导致了324.8 nm的蓝移Enol*发射和可见的荧光颜色变化。相反，中性取代基(H)和吸电子取代基（-CN）同时发生ESIPT和扭曲分子内电荷转移（TICT）。tict诱导的非辐射衰变减少了酮*发射，留下微弱的烯醇*荧光，信号变化可以忽略不计。这些发现突出了取代基电子效应在调制ESIPT/TICT通路中的关键作用，为设计高性能光气检测荧光探针提供了有价值的见解。

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引用次数: 0

K2AlAgCl6: A new stable and eco-friendly double perovskite candidate for UV optoelectronic and thermoelectric devices K2AlAgCl6：一种新的稳定和环保的双钙钛矿，用于紫外光电和热电器件

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-15 DOI: 10.1016/j.chemphys.2026.113094

Muhammad Jawad , Sikander Azam , Noor ul Amin , Se-Hun Kim

A first-principles study is performed to investigate the structural, electronic, optical, and thermoelectric properties of the lead-free double perovskite K₂AlAgCl₆ using density functional theory. Structural optimization confirms a stable cubic phase (Fm3̅m) with a lattice constant of 10.63 Å. The negative formation energy (−2.138 eV·atom⁻¹), tolerance factor close to unity, and elastic constants satisfying the Born criteria indicate excellent thermodynamic and mechanical stability. Phonon dispersion calculations show no imaginary frequencies, and ab-initio molecular dynamics simulations at 300 K further confirm thermal robustness. Electronic structure analysis reveals a direct band gap of 3.81 eV (mBJ), suitable for ultraviolet optoelectronic applications. Optical properties demonstrate strong UV absorption starting near 4 eV, high transparency in the visible range, and plasma-related behavior at higher photon energies. Thermoelectric calculations yield a Seebeck coefficient of 187 μV·K⁻¹ at 300 K and a power factor of 3.5 × 10¹¹ W·m⁻¹·K⁻² at 800 K. These results highlight K₂AlAgCl₆ as a promising lead-free material for UV optoelectronic applications and motivate future experimental validation.

利用密度泛函理论对无铅双钙钛矿K2AlAgCl6的结构、电子、光学和热电性质进行了第一性原理研究。结构优化确定了稳定的立方相（Fm3′m），晶格常数为10.63 Å。负形成能（−2.138 eV·原子−1），容差系数接近于1，弹性常数满足玻恩准则，具有良好的热力学和力学稳定性。声子色散计算显示无虚频率，300 K下的ab-initio分子动力学模拟进一步证实了热鲁棒性。电子结构分析表明其直接带隙为3.81 eV (mBJ)，适合紫外光电应用。光学性质表明，从4 eV附近开始，强紫外吸收，在可见光范围内具有高透明度，并且在较高光子能量下具有等离子体相关行为。热电计算得到300 K时的塞贝克系数为187 μV·K−1,800 K时的功率因数为3.5 × 1011 W·m−1·K−2。这些结果突出了K2AlAgCl6作为一种有前途的无铅材料用于紫外光电应用，并激发了未来的实验验证。

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引用次数: 0

Adsorption-induced electronic modulation and intermediate-mediated regulation of catalytic activity in porphyrin-based single-atom catalysts: density functional theory 基于卟啉的单原子催化剂中吸附诱导的电子调制和中间介导的催化活性调节：密度泛函理论

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-14 DOI: 10.1016/j.chemphys.2026.113093

Yan Liu , HuanHuan Li , Tao Wang , Can Li

Porphyrin-based single-atom catalysts (SACs) have been widely applied in redox reactions, while the role of adsorbed intermediates in modulating their catalytic activity remains poorly understood. In this study, density functional theory calculations reveal that the adsorption of oxygen evolution/reduction reaction (OER/ORR) intermediates effectively tunes the local atomic/electronic structures of M₁N₄@porphyrin (M = third-period transition metals). Intermediate adsorption reduces the chemical activity of metal single-atom through electron transfer from metal to adsorbates, a trend corroborated by a consistent downshift in the d-band center. While intrinsic metal activity governs overall performance, metals such as Sc, Ti, and V exhibit excessive reactivity, whereas Zn lacks sufficient activity, limiting optimization via adsorption alone. In contrast, mid- and late-transition metals enable significant enhancement through intermediate engineering. Remarkably, Cr₁N₄-O achieves OER/ORR overpotentials of 212/204 mV, while Cu₁N₄-O exhibits 195/196 mV, and Ni₁N₄-O shows an OER overpotential of 196 mV. Cu₁N₄-OH delivers an ORR overpotential of 198 mV. This work demonstrates that catalytic performance is synergistically controlled by the adsorption-induced modulation, providing a rational design principle for high-efficiency SACs.

基于卟啉的单原子催化剂（SACs）在氧化还原反应中得到了广泛的应用，但吸附中间体对其催化活性的调节作用尚不清楚。在本研究中，密度泛函理论计算表明，氧析/还原反应（OER/ORR）中间体的吸附有效地调整了M1N4@porphyrin （M =第三周期过渡金属）的局部原子/电子结构。中间吸附通过从金属到吸附剂的电子转移降低了金属单原子的化学活性，这一趋势得到了d波段中心持续下降的证实。虽然固有金属活性决定了整体性能，但Sc、Ti和V等金属表现出过度的反应性，而Zn缺乏足够的活性，限制了仅通过吸附进行优化。相反，中后期过渡金属可以通过中间工程实现显著的增强。值得注意的是，Cr1N4-O的OER/ORR过电位为212/204 mV， Cu1N4-O的OER/ORR过电位为195/196 mV， Ni1N4-O的OER过电位为196 mV。Cu1N4-OH的ORR过电位为198 mV。本研究表明，吸附诱导的调制对催化性能具有协同控制作用，为高效sac的设计提供了合理的原则。

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引用次数: 0

Plasma screening effects on the atomic structure and collision strength of He-like C V ion 等离子体筛选对He-like C - V离子原子结构和碰撞强度的影响

IF 2.4 3区化学 Q4 CHEMISTRY, PHYSICAL

Chemical Physics

Pub Date : 2026-01-13 DOI: 10.1016/j.chemphys.2026.113090

Narendra Kumar , Shivankar , Dishu Dawra , Mayank Dimri , Man Mohan , Alok Kumar Singh Jha

The effects of dense plasma on the spectral properties and electron impact excitation collision strength of He-like C V ion have been investigated using the relativistic configuration interaction (RCI) and relativistic distorted wave (RDW) technique by incorporating the analytical plasma screening (APS) potential. The study analyzes plasma shielding effects on atomic structure parameters and radiative properties of He-like C V ion for different electron densities and temperatures. We have also investigated the effects of dense plasma environment on the thermodynamic pressure exerted on the ground state of He-like C V ion within the ion sphere. Further, plasma screening effects on the collision strength for the transition 1s^{2 1}S₀⟶1s2p ¹^,³P₁ have been studied. Our results show good agreement with values from the National Institute of Standards and Technology (NIST) and experimental results. The present results will be beneficial in the modelling and diagnostics of laboratory and astrophysical plasmas.

利用相对论组态相互作用（RCI）和相对论畸变波（RDW）技术，结合分析等离子体筛选（APS）势，研究了致密等离子体对类he C V离子光谱特性和电子冲击激发碰撞强度的影响。研究了不同电子密度和温度下等离子体屏蔽对类氦铯离子原子结构参数和辐射特性的影响。我们还研究了致密等离子体环境对离子球内类he cv离子基态热力学压力的影响。此外，我们还研究了等离子体筛选对跃迁1s2 1so1, 1so1,3P1碰撞强度的影响。我们的计算结果与美国国家标准与技术研究院（NIST）的数值和实验结果吻合良好。目前的结果将有利于实验室和天体物理等离子体的建模和诊断。

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引用次数: 0