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Bound exciton engineering approach for tuning the thermal lensing phenomenon in anatase TiO2: Gd nanosystems 调整锐钛型二氧化钛热透镜现象的束缚激子工程方法:钆纳米系统
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-05 DOI: 10.1016/j.chphi.2024.100679
Oriparambil Sivaraman Nirmal Ghosh , Sethuraman Gayathri , Srinivasa Rao Allam , Alok Sharan , S.B. Sruthil Lal , Modigunta Jeevan Kumar Reddy , A.M. Shanmugharaj , Annamraju Kasi Viswanath

We report a comprehensive investigation of the third-order nonlinear interaction of femtosecond laser pulses with nanostructured anatase TiO2 doped with varying concentrations of gadolinium impurities. The samples were synthesized using a facile sol‒gel method. The physicochemical characteristics of the prepared samples were investigated using various analytical techniques, including XRD, SEM, TEM, SAED, UV‒Vis, PL and XPS. The average crystallite sizes of the pristine TiO2- and Gd (1, 2, and 3 %)-doped TiO2 nanoparticles were calculated to be 10.9, 9.2, 10.2 and 8.9 nm, respectively. The W-H plots also revealed average crystallite sizes in the range of 13.9, 16.6, 13.9 and 10.4 for pristine and Gd (1, 2, 3 %)-doped TiO2 nanoparticles. The lattice strain values for pristine and Gd (1, 2, and 3 %) doped TiO2 nanoparticles were computed as 0.00203, 0.00667, 0.0036 and 0.00262, respectively, from the W‒H plots. The average crystallite size was calculated to 9.2 nm from the TEM images using ImageJ software. The optical band gap values of pristine TiO2 and Gd (1, 2, and 3 %)-doped TiO2 nanoparticles were calculated to be 3.3, 3.23, 3.21 and 3.20 eV from the Kubelka–Munk function plot. The emission peaks of pristine and Gd(1,2,3 %) doped TiO2 nanoparticles were calculated as 3.2, 3.23, 3.26 and 3.32 eV from the photoluminescence spectra recorded at 330 nm photo excitation. The binding energies of the O1s, Ti2P and Gd4d peaks present in the survey scan of TiO2 nanoparticles doped with one weight percentage of Gd impurity were 528.79, 531.53, 457.53, 463.25 and 149.6 eV, respectively. The third-order nonlinear characteristics of the TiO2:Gd samples were probed using the ultrafast laser Z-scan technique. We observed that the density of bound excitons can be regulated by controlling the dopant concentration. The strong oscillatory interactions between photogenerated bound excitons, which act as dipole oscillators with large oscillating frequencies, were recorded using a single-beam femtosecond Z-scan. The third-order nonlinear susceptibility χ(3) for pristine and Gd(1,2,3 %)-doped TiO2 nanoparticles were calculated as 7.258 × 10-18, 9.4 × 10-18, 11 × 10-18 and 13 × 10-18 cm2/V2, respectively. The obtained results suggest that the thermal lensing phenomenon in nanostructured anatase TiO2 can be generated and effectively controlled using a band gap engineering technique. We determined that the small pump power in nonlinear media with controllable band fluctuations can produce large phase distortions in TiO2:Gd nanosystems. Our findings reveal that Gd doping induces controlled modification of the electronic structure of TiO2, leading to a tailored energy landscape for exciton formation and binding. These findings provide a novel approa

我们报告了飞秒激光脉冲与掺杂不同浓度钆杂质的纳米结构锐钛矿二氧化钛之间三阶非线性相互作用的综合研究。样品采用简便的溶胶-凝胶法合成。利用各种分析技术,包括 XRD、SEM、TEM、SAED、UV-Vis、PL 和 XPS,研究了所制备样品的理化特性。经计算,原始二氧化钛和掺杂钆(1%、2% 和 3%)的二氧化钛纳米粒子的平均晶粒大小分别为 10.9、9.2、10.2 和 8.9 纳米。W-H 图还显示,原始和掺杂钆(1%、2%、3%)的二氧化钛纳米粒子的平均晶粒尺寸范围分别为 13.9、16.6、13.9 和 10.4。根据 W-H 图计算出原始和掺杂钆(1%、2% 和 3%)的二氧化钛纳米粒子的晶格应变值分别为 0.00203、0.00667、0.0036 和 0.00262。利用 ImageJ 软件从 TEM 图像中计算出平均晶粒尺寸为 9.2 nm。根据 Kubelka-Munk 函数图计算出原始 TiO2 和掺杂 Gd(1%、2% 和 3%)的 TiO2 纳米粒子的光带隙值分别为 3.3、3.23、3.21 和 3.20 eV。根据在 330 纳米波长光激发下记录的光致发光光谱,计算出原始和掺杂钆(1,2,3 %)的二氧化钛纳米粒子的发射峰分别为 3.2、3.23、3.26 和 3.32 eV。在掺杂了一个重量百分比的 Gd 杂质的 TiO2 纳米粒子的测量扫描中,O1s、Ti2P 和 Gd4d 峰的结合能分别为 528.79、531.53、457.53、463.25 和 149.6 eV。利用超快激光 Z 扫描技术探测了 TiO2:Gd 样品的三阶非线性特性。我们观察到,束缚激子的密度可以通过控制掺杂剂浓度来调节。利用单束飞秒 Z 扫描技术记录了光生束缚激子之间的强烈振荡相互作用,这些激子就像偶极子振荡器一样,具有很大的振荡频率。计算得出原始和掺杂钆(1,2,3 %)的二氧化钛纳米粒子的三阶非线性感度χ(3) 分别为 7.258 × 10-18、9.4 × 10-18、11 × 10-18 和 13 × 10-18 cm2/V2。这些结果表明,利用带隙工程技术可以产生并有效控制锐钛矿二氧化钛纳米结构中的热透镜现象。我们确定,在具有可控带波动的非线性介质中,小泵功率可在 TiO2:Gd 纳米系统中产生大的相位畸变。我们的研究结果表明,掺杂钆可对二氧化钛的电子结构进行可控修改,从而为激子的形成和结合提供量身定制的能谱。这些发现为基于二氧化钛的纳米结构工程系统提供了一种新方法,可用于高能效光限制纳米光子系统和光电开关器件。
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引用次数: 0
Design and fabrication of NiCo2S4@rGO as an efficient Pt free triiodide reducing agent for dye-sensitized solar cell application 设计和制备用于染料敏化太阳能电池的高效无铂三碘还原剂 NiCo2S4@rGO
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-05 DOI: 10.1016/j.chphi.2024.100676
S. Abinaya , R. Sakthivel , K. Ramachandran , P.M. Vivek , Mohamed Arfayeen , C.S. Manikandababu , R. BoopathiRaja

Exploiting efficient Pt-free counter-electrode materials with low cost and highly catalytic property is a hot topic in the field of Dye-sensitized solar cells (DSCs). Here, NiCo2S4/reduced graphene oxide (RGO) was prepared via an economical hydrothermal ynthesis route, and the as-prepared composite exhibited comparable electrocatalytic property with the conventional Pt electrode as the counter-electrode. Enhanced optoelectronic, optical and structural characteristics have been attained over the constructed heterojunction. Band gap energy of NiCo2S4 (2.35 eV) was suppressed to 2.11 eV owing to its supporting with 10 wt.% rGO bringing about upgraded absorption of visible light. Electrochemical studies confirmed the synergetic effect of nickel and cobalt ions with the high electrical conductive rGO networks that enhance the electrocatalytic activity of NiCo2S4 nanostructures. The efficiency achieved for the NiCo2S4@rGO counter electrode (CE) based DSSC is 8.17%, which is remarkably higher than that of pristine NiCo2S4 (7.31%), and Pt (7.14%) under the same experimental conditions. In outline, given their innovative synthesis approach, affordability, and remarkable electrocatalytic attributes, the newly developed NiCo2S4@rGO counter electrodes stand out as potent contenders in future dye-sensitized solar cell applications.

开发低成本、高催化性能的高效无铂反电极材料是染料敏化太阳能电池(DSCs)领域的热门话题。本文通过经济的水热合成路线制备了 NiCo2S4/还原氧化石墨烯 (RGO),所制备的复合材料与传统的铂电极作为反电极具有相似的电催化性能。所构建的异质结具有更强的光电、光学和结构特性。NiCo2S4 的带隙能(2.35 eV)被抑制到 2.11 eV,这是因为它与 10 wt.% 的 rGO 形成了支撑,从而提高了对可见光的吸收。电化学研究证实,镍和钴离子与高导电性 rGO 网络的协同效应增强了 NiCo2S4 纳米结构的电催化活性。在相同的实验条件下,基于 NiCo2S4@rGO 对电极 (CE) 的 DSSC 效率为 8.17%,明显高于原始 NiCo2S4(7.31%)和 Pt(7.14%)。总之,鉴于其创新的合成方法、可负担性和显著的电催化特性,新开发的 NiCo2S4@rGO 对电极将成为未来染料敏化太阳能电池应用的有力竞争者。
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引用次数: 0
Birnessite-MnO2 nanostructures synthesized by facile hydrothermal and green method for dye degradation application 采用简便水热绿色方法合成的用于染料降解的 Birnessite-MnO2 纳米结构
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-05 DOI: 10.1016/j.chphi.2024.100681
Nithya S. George , Riya Mary Cherian , D.A. Nayana , Dinesh Raj R , Ramesh T Subramaniam , Arun Aravind

Water contamination resulting from the presence of organic dye pollutants in the ecosystem is a significant issue in the 21st century, that requires urgent resolution. Utilizing an effective nanocatalyst for the removal of dyes from water is a viable solution to address this problem. In this study, we proposed two distinct approaches for synthesizing δ-MnO2 nanostructures: an environmentally friendly, “green” method (MG) and a “cost-effective” hydrothermal method (MH). The leaf extract of Clinacanthus nutans was used for the preparation of MG, while MnSO4 was used for MH as a reducing agent, along with KMnO4, with the reaction time fixed at 90 °C. X-ray diffraction analysis confirmed that both approaches yielded δ-MnO2 nanostructures with a monoclinic Birnessite phase. The MG sample displayed a coagulated nanoflake-like morphology, as observed in FESEM images. On the other hand, the MH sample exhibited a distinct nanoflower morphology. The materials' optical properties were investigated using UV–visible spectra analysis, revealing direct bandgap energies of 2.2 eV and 2.58 eV for the MG and MH, respectively. The surface area of the MG sample was found to be higher as compared to the MH nanoflower, showcasing a mesoporous structure. XPS analysis was employed to determine the oxidation states of the elements. The effect of varying pH levels on the degradation of Methyl Orange dye by the two nanocatalysts was investigated. The results demonstrated that acidic pH led to higher decolouration efficiency, particularly notable for the MG nanocatalyst. Consequently, this study illustrates that the green δ-MnO2 nanocatalyst effectively degrades methyl orange dye under acidic conditions through photocatalysis.

生态系统中存在的有机染料污染物造成的水污染是 21 世纪的一个重大问题,亟待解决。利用有效的纳米催化剂去除水中的染料是解决这一问题的可行方案。在本研究中,我们提出了合成 δ-MnO2 纳米结构的两种不同方法:一种环境友好的 "绿色 "方法(MG)和一种 "经济有效 "的水热法(MH)。制备 MG 时使用了 Clinacanthus nutans 的叶提取物,而制备 MH 时使用了 MnSO4 作为还原剂,同时还使用了 KMnO4,反应时间固定在 90 °C。X 射线衍射分析证实,这两种方法都得到了具有单斜黝帘石相的δ-MnO2 纳米结构。从 FESEM 图像中可以观察到,MG 样品呈现出凝固的纳米片状形态。另一方面,MH 样品呈现出明显的纳米花形态。通过紫外-可见光谱分析研究了材料的光学特性,发现 MG 和 MH 的直接带隙能分别为 2.2 eV 和 2.58 eV。与 MH 纳米花相比,MG 样品的表面积更大,显示出一种介孔结构。XPS 分析用于确定元素的氧化态。研究了不同 pH 值对两种纳米催化剂降解甲基橙染料的影响。结果表明,酸性 pH 值可提高脱色效率,尤其是 MG 纳米催化剂。因此,这项研究表明,在酸性条件下,绿色 δ-MnO2 纳米催化剂可通过光催化有效降解甲基橙染料。
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引用次数: 0
Exploring bismuth-substituted yttrium iron garnet: Insights into structural, optical, and dielectric characteristics 探索铋替代钇铁石榴石:洞察结构、光学和介电特性
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-04 DOI: 10.1016/j.chphi.2024.100671
Ravindra Hazam , Manjushree Maity , Sachin Verma, Rajeev Singh, Biswanath Bhoi

Magnetic garnets, a diverse group of magnetic insulating materials, have been the subject of extensive research for decades, owing to their versatility and potential for a wide range of applications. In this study, we synthesized Bismuth-Substituted Yttrium Iron Garnet (BiY2Fe5O12: BiYIG) using the solid-state reaction method to explore its structural, optical, and dielectric characteristics. X-ray diffraction analysis revealed the attainment of a pure cubic garnet phase in BiYIG, with a lattice parameter of 12.444 Å. Using UV–visible spectroscopy, we determined that the optical band gap of BiYIG is 2.2 eV, indicating n-type semiconductor behavior. We conducted a thorough investigation of the dielectric properties, examining capacitance, dielectric constant, dielectric loss, conductivity, impedance, and modulus, as functions of frequency and temperature. The impedance results revealed that the dielectric relaxation at room temperature was dominated by a Debye-type process, with a shift to a non-Debye-type process becoming apparent as temperature increased. Comprehensive analysis sheds light on the material's transport phenomena and optical attributes, offering insights into the potential of BiYIG for applications in magneto-dielectric and magneto-optical domains, given its high dielectric constant with low dielectric loss, and promising optical properties. These findings position BiYIG as a versatile material and underscore its suitability for advanced applications in future technological developments.

磁性石榴石是一类种类繁多的磁性绝缘材料,由于其多功能性和广泛的应用潜力,几十年来一直是广泛研究的主题。在这项研究中,我们采用固态反应方法合成了铋取代钇铁石榴石(BiY2Fe5O12:BiYIG),以探索其结构、光学和介电特性。X 射线衍射分析表明 BiYIG 具有纯立方石榴石相,晶格参数为 12.444 Å。我们对介电特性进行了深入研究,检测了电容、介电常数、介电损耗、电导率、阻抗和模量与频率和温度的函数关系。阻抗结果显示,室温下的介电弛豫以德拜型过程为主,随着温度的升高,介电弛豫明显向非德拜型过程转变。综合分析揭示了该材料的传输现象和光学特性,鉴于 BiYIG 具有高介电常数、低介电损耗和良好的光学特性,为其在磁介质和磁光领域的应用潜力提供了启示。这些发现将 BiYIG 定义为一种多功能材料,并强调了它在未来技术发展中的先进应用。
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引用次数: 0
Efficiency enhancement of novel ITO/ZnSe/CNTs thin film solar cell 提高新型 ITO/ZnSe/CNTs 薄膜太阳能电池的效率
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-07-03 DOI: 10.1016/j.chphi.2024.100672
A. Bakour , M. Al-Hattab , O. Bajjou , K. Rahmani

This study presents a novel photovoltaic cell design utilizing a layered structure of Indium Tin Oxide (ITO), Zinc Selenide (ZnSe), and Carbon Nanotubes (CNTs) for enhanced solar energy conversion. We employed the Solar Cell Capacity Simulator (SCAPS-1D) to model and optimize the device under AM 1.5 spectrum conditions. Our simulations systematically investigated the influence of key parameters including layer thicknesses, doping concentrations, temperature, back contact work function, and parasitic resistances on cell performance. The optimized structure demonstrated a theoretical power conversion efficiency of 29.91%, with an open-circuit voltage (Voc) of 799 mV, a short-circuit current density (Jsc) of 43.49 mA/cm², and a fill factor (FF) of 86.02%. These promising results are attributed to the synergistic combination of CNTs' broad spectral absorption, ZnSe's effective charge separation, and optimized layer properties. We found that the CNT absorber layer's doping concentration significantly impacted cell performance, with an optimal value of 10¹⁷ cm⁻³. The ZnSe buffer layer thickness showed minimal effect on efficiency within the studied range. Temperature increases from 300 K to 400 K led to a significant efficiency drop from 33.97% to 24.65%, primarily due to Voc reduction. While these results represent idealized conditions and upper theoretical limits, they provide valuable insights for the potential of CNT-based solar cells. This study offers a roadmap for future experimental work in high-efficiency thin-film photovoltaics, highlighting the promise of novel material combinations and the importance of device architecture optimization.

本研究提出了一种新型光伏电池设计,利用氧化铟锡(ITO)、硒化锌(ZnSe)和碳纳米管(CNTs)的层状结构来增强太阳能转换。我们利用太阳能电池容量模拟器(SCAPS-1D)对 AM 1.5 光谱条件下的设备进行建模和优化。我们的模拟系统研究了层厚度、掺杂浓度、温度、背接触功函数和寄生电阻等关键参数对电池性能的影响。优化结构的理论功率转换效率为 29.91%,开路电压 (Voc) 为 799 mV,短路电流密度 (Jsc) 为 43.49 mA/cm²,填充因子 (FF) 为 86.02%。这些令人鼓舞的结果归功于 CNT 的宽光谱吸收、ZnSe 的有效电荷分离和优化的层特性的协同组合。我们发现,CNT 吸收层的掺杂浓度对电池性能有显著影响,最佳值为 10¹⁷ cm-³。在研究范围内,硒化锌缓冲层厚度对效率的影响微乎其微。温度从 300 K 上升到 400 K 会导致效率从 33.97% 显著下降到 24.65%,这主要是由于 Voc 减少所致。虽然这些结果代表了理想化条件和理论上限,但它们为基于 CNT 的太阳能电池的潜力提供了宝贵的启示。这项研究为未来的高效薄膜光伏实验工作提供了路线图,凸显了新型材料组合的前景和器件结构优化的重要性。
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引用次数: 0
Room temperature photon-magnon coupling in YIG- electric field coupled resonator system YIG 电场耦合谐振器系统中的室温光子-磁子耦合
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-06-29 DOI: 10.1016/j.chphi.2024.100669
Abhishek Maurya , Kuldeep Kumar Shrivastava , Sachin Verma, Rajeev Singh, Biswanath Bhoi

This study presents a planar hybrid system consisting of an electric-field-coupled resonator (ELCR) and yttrium iron garnet (YIG) film, designed to investigate the interaction between photons and magnons at room temperature. This hybrid system has been designed and simulated using the commercial electromagnetic full-wave simulator CST Microwave Studio. The phenomenon of anti-crossing between the photon mode of the ELCR and the magnon modes of the YIG was observed by analyzing the |S21|-versus-frequency spectrum under varying strengths of bias magnetic fields. We present a comprehensive theoretical framework that explains the observed anti-crossing effect resulting from photon-magnon coupling (PMC) and provide estimations for the strength of PMC (Δ). Additionally, the interaction between photons and magnons was manipulated through two distinct methods: by adjusting the thickness (tYIG) of the YIG film and by positioning the YIG films along the microstripline. For the ELCR (for tYIG = 25 μm), Δ comes to 58 MHz, while changing tYIG from 2 μm to 50 μm, enabling more precise control of the Δ parameter across the span of 17 MHz to 84 MHz. Similarly, the YIG positioning at a different location along the microstripline allowed manipulation of Δ from 5 to 50 MHz. The resultant PMC can be significantly tuned by 400% to 900% in a planar-geometry ELCR-YIG hybrid system. This research offers avenues for developing innovative hybrid systems that afford greater control over the magnitude of PMC in a planar configuration, representing a promising direction for future advancements in hybrid magnonic systems.

本研究介绍了一个由电场耦合谐振器(ELCR)和钇铁石榴石(YIG)薄膜组成的平面混合系统,旨在研究室温下光子和磁子之间的相互作用。该混合系统是利用商用电磁全波模拟器 CST Microwave Studio 设计和模拟的。通过分析不同强度偏置磁场下的|S21|对频谱,我们观察到了 ELCR 的光子模式和 YIG 的磁子模式之间的反交叉现象。我们提出了一个全面的理论框架来解释所观测到的光子-磁子耦合(PMC)产生的反交叉效应,并提供了PMC强度(Δ)的估计值。此外,光子和磁子之间的相互作用是通过两种不同的方法来操纵的:调整 YIG 薄膜的厚度(tYIG)和沿微带线定位 YIG 薄膜。对于 ELCR(tYIG = 25 μm),Δ 达到 58 MHz,而将 tYIG 从 2 μm 改为 50 μm,则可以在 17 MHz 至 84 MHz 的范围内更精确地控制 Δ 参数。同样,将 YIG 定位在沿微细干线的不同位置,可以在 5 至 50 MHz 的范围内控制 Δ。在平面几何 ELCR-YIG 混合系统中,由此产生的 PMC 可大幅调整 400% 至 900%。这项研究为开发创新的混合系统提供了途径,使其能够在平面配置中对 PMC 的大小进行更大程度的控制,为混合磁性系统未来的发展指明了方向。
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引用次数: 0
Current-Voltage (i-V) characteristics of electrolyte-supported (NiO-YSZ/NiO-SDC/ScSZ/LSCF-GDC/LSCF) solid oxide electrolysis cell during CO2/H2O co-electrolysis 电解质支撑型(NiO-YSZ/NiO-SDC/ScSZ/LSCF-GDC/LSCF)固体氧化物电解槽在 CO2/H2O 共电解过程中的电流-电压 (i-V) 特性
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-06-24 DOI: 10.1016/j.chphi.2024.100670
Rahulkumar Shirasangi, Lakhanlal, Hari Prasad Dasari, M.B. Saidutta

Solid oxide electrolysis cells (SOECs) stabilize CO2 emissions by converting CO2/H2O into synfuel. Current-Voltage (i-V) characteristics of an electrolyte-supported button cell (NiO-YSZ/NiO-SDC/ScSZ/LSCF-GDC/LSCF) were measured as a function of temperature, water vapor concentration, and CO2 gas concentrations. The cell microstructure was characterized by the Field Emission Scanning Electron Microscope (FE-SEM). FE-SEM micrographs depict that the electrolyte layer is relatively dense, and porous fuel and air electrode layers are well adhered to the electrolyte. The i-V curves were obtained at a scan rate of 0.02 Vs−1 from 0.3 to 1.5 V. Electrolysis current density increases as the temperature increases. SOEC performance increases, but SOFC performance decreases with increased water vapor concentration. Electrolysis current densities decrease as the CO2 concentration increases. The i-V characteristics show only ohmic polarization under fuel-lean and fuel-rich conditions. At optimal conditions, current density values at 800 °C/1.5 V are -174, -187, and -195 mA cm−2 for 5 %H2O, 30 %CO2, and 30 %CO2/5 %H2O co-electrolysis. At 800 °C, open-circuit voltage (OCV) values for H2O, CO2, and co-electrolysis are 0.906, 0.891, and 0.885 V, respectively. The electrolysis area-specific resistances (ASRs) give information on the reduction of CO2 or H2O, forming CO or H2, respectively. At optimal conditions, ASR values are 3.43, 3.29, and 3.18 Ω cm2 for H2O, CO2, and co-electrolysis, respectively. Co-electrolysis has a lower ASR value than pure H2O and CO2 electrolysis, indicating that H2O and CO2 are involved in the electrochemical processes.

固体氧化物电解池(SOEC)通过将 CO2/H2O 转化为合成燃料来稳定二氧化碳的排放。测量了电解质支持的扣式电池(NiO-YSZ/NiO-SDC/ScSZ/LSCF-GDC/LSCF)的电流电压(i-V)特性与温度、水蒸气浓度和二氧化碳气体浓度的函数关系。电池的微观结构由场发射扫描电子显微镜(FE-SEM)进行表征。FE-SEM 显微照片显示,电解质层相对致密,多孔燃料层和空气电极层与电解质附着良好。在 0.02 Vs-1 的扫描速率下,获得了 0.3 至 1.5 V 的 i-V 曲线。电解电流密度随温度升高而增加。SOEC 性能随着水蒸气浓度的增加而提高,但 SOFC 性能则随着水蒸气浓度的增加而降低。电解电流密度随着二氧化碳浓度的增加而降低。在燃料贫乏和燃料丰富的条件下,i-V 特性只显示出欧姆极化。在最佳条件下,5 %H2O、30 %CO2 和 30 %CO2/5 %H2O 共电解在 800 °C/1.5 V 时的电流密度值分别为 -174、-187 和 -195 mA cm-2。800 °C 时,H2O、CO2 和共电解的开路电压 (OCV) 值分别为 0.906、0.891 和 0.885 V。电解区域特异电阻(ASR)提供了 CO2 或 H2O 还原成 CO 或 H2 的信息。在最佳条件下,H2O、CO2 和共电解的 ASR 值分别为 3.43、3.29 和 3.18 Ω cm2。共电解的 ASR 值低于纯 H2O 和 CO2 电解,表明 H2O 和 CO2 参与了电化学过程。
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引用次数: 0
Evaluating a series of new curcumin derivatives as potential anti-breast cancer agents: A collective analysis of in-vitro and in-silico characterization 评估作为潜在抗乳腺癌药物的一系列新姜黄素衍生物:体外和体内特征的综合分析
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-06-22 DOI: 10.1016/j.chphi.2024.100663
R. Yuvashri , Era Dravida Thendral , D. Reuben Jonathan , A. Anish Fathima , K. Laavanya , G. Usha

In this work, a series of curcumin derivatives have been synthesized using Claisen Schmidt condensation reaction & Schotten-Baumann reaction, and they were screened through in-silico and in-vitro analysis to determine their capacity as a potential agent against breast cancer. Molecular docking reveals that the compounds are in good fit in the active site region of the target protein. Anti-cancer activity reveals that compounds are highly active against the MCF-7 cell lines, even at low concentration. Among the synthesized compounds, a set of five (Group B) exhibits a nontoxic effect against normal cell lines even at high concentration, whereas the other set of six compounds (Group A) display a toxic effect. The drug likeliness and pharmacokinetic properties reveal that the compounds can be lead drug materials against breast cancer.

本研究利用克莱森-施密特缩合反应&;肖腾-鲍曼反应合成了一系列姜黄素衍生物,并通过体内和体外分析筛选出它们作为抗乳腺癌潜在药物的能力。分子对接显示,这些化合物与目标蛋白质的活性位点区域非常吻合。抗癌活性显示,即使在低浓度下,化合物对 MCF-7 细胞系也有很高的活性。在合成的化合物中,一组 5 个化合物(B 组)即使在高浓度下也对正常细胞株无毒性作用,而另一组 6 个化合物(A 组)则显示出毒性作用。这些化合物的药物相容性和药代动力学特性表明,它们可以作为抗乳腺癌的先导药物材料。
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引用次数: 0
An investigation on the synthesis and characterization of MoS2 nanoflowers draped g-C3N4 nano sheet (g-C3N4 / MoS2 / MnOOH) ternary composite for the efficient photocatalytic applications 用于高效光催化应用的 MoS2 纳米花垂 g-C3N4 纳米片(g-C3N4 / MoS2 / MnOOH)三元复合材料的合成与表征研究
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-06-22 DOI: 10.1016/j.chphi.2024.100665
M Sekar , K Saravanan , M Prasath , S Bharathi Bernadsha

In this study,MoS2/g-C3N4Nano flower like composite is synthesizedusing hydrothermal procedure to identify its photo catalytic properties on Methyl Dyes. The morphology, structure and optical properties of the produced materials are studied by X-Ray Diffraction, Fourier Transform Infrared Spectroscopy, FESEM, EDAX and UV –Vis Spectroscopy. The results received through characterizations confirmed that g-C3N4nanosheets are embedded with flower-like MoS2.The construction of the hetero junction is successful and widened absorptionrange in visible light is identified. Iste water contaminated by methyl dyes can be purified using thesynthesized composite. The suitability of the synthesized composite can be efficient in the removal of methyl dyes from industrial istes and domestic istes.

本研究采用水热法合成了 MoS2/g-C3N4 纳米花状复合材料,以确定其对甲基染料的光催化性能。通过 X 射线衍射、傅立叶变换红外光谱、FESEM、EDAX 和紫外可见光谱研究了所制材料的形貌、结构和光学特性。表征结果证实 g-C3N4 纳米片嵌入了花状 MoS2。利用合成的复合材料可以净化被甲基染料污染的废水。合成的复合材料可有效去除工业废水和生活污水中的甲基染料。
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引用次数: 0
Hierarchical NiCo2O4 needle-like heterostructure arrays anchored on WO3 as high- performance asymmetric supercapacitors for energy storage applications 锚定在 WO3 上的分层镍钴氧化物针状异质结构阵列作为高性能不对称超级电容器用于储能应用
IF 3.8 Q2 CHEMISTRY, PHYSICAL Pub Date : 2024-06-22 DOI: 10.1016/j.chphi.2024.100666
Siveswari A, Gowthami V

The current work employs a novel approach to construct a composite nanostructure to improve the capacitive performance of a supercapacitor device. The work involved preparing cube-shaped WO3 particles and depositing them onto the surface of NiCo2O4 needles using a microwave technique. The structure of the composites enables efficient paths for ion transport and electron diffusion in supercapacitors. The hybrid composite electrode demonstrates a specific capacitance of 716 F g−1 at a current density of 5 Ag−1. The asymmetric capacitor device, which utilizes NiCo2O4@WO3 as the positive electrode and AC as the negative electrode, exhibits an energy density of 48.57 Wh kg−1 at a power density of 1120 W kg−1. In addition, the NiCo2O4@WO3//AC device has a favourable cycle life, maintaining 85.7 % of its capacitance retention after 10,000 cycles. The findings demonstrate the potential of NiCo2O4@WO3//AC to be used in the development of advanced hybrid electrodes for improved supercapacitors.

目前的研究采用了一种新方法来构建复合纳米结构,以提高超级电容器装置的电容性能。这项工作包括制备立方体 WO3 颗粒,并利用微波技术将其沉积到 NiCo2O4 针表面。复合材料的结构为超级电容器中的离子传输和电子扩散提供了有效路径。在电流密度为 5 Ag-1 时,混合复合电极的比电容为 716 F g-1。以 NiCo2O4@WO3 为正极、交流电为负极的不对称电容器装置在功率密度为 1120 W kg-1 时的能量密度为 48.57 Wh kg-1。此外,NiCo2O4@WO3//AC 器件的循环寿命也很好,在 10,000 次循环后仍能保持 85.7% 的电容保持率。研究结果表明,NiCo2O4@WO3//AC 有潜力用于开发先进的混合电极,以改进超级电容器。
{"title":"Hierarchical NiCo2O4 needle-like heterostructure arrays anchored on WO3 as high- performance asymmetric supercapacitors for energy storage applications","authors":"Siveswari A,&nbsp;Gowthami V","doi":"10.1016/j.chphi.2024.100666","DOIUrl":"https://doi.org/10.1016/j.chphi.2024.100666","url":null,"abstract":"<div><p>The current work employs a novel approach to construct a composite nanostructure to improve the capacitive performance of a supercapacitor device. The work involved preparing cube-shaped WO<sub>3</sub> particles and depositing them onto the surface of NiCo<sub>2</sub>O<sub>4</sub> needles using a microwave technique. The structure of the composites enables efficient paths for ion transport and electron diffusion in supercapacitors. The hybrid composite electrode demonstrates a specific capacitance of 716 F <em>g</em><sup>−1</sup> at a current density of 5 Ag<sup>−1</sup>. The asymmetric capacitor device, which utilizes NiCo<sub>2</sub>O<sub>4</sub>@WO<sub>3</sub> as the positive electrode and AC as the negative electrode, exhibits an energy density of 48.57 Wh kg<sup>−1</sup> at a power density of 1120 W kg<sup>−1</sup>. In addition, the NiCo<sub>2</sub>O<sub>4</sub>@WO<sub>3</sub>//AC device has a favourable cycle life, maintaining 85.7 % of its capacitance retention after 10,000 cycles. The findings demonstrate the potential of NiCo<sub>2</sub>O<sub>4</sub>@WO<sub>3</sub>//AC to be used in the development of advanced hybrid electrodes for improved supercapacitors.</p></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":null,"pages":null},"PeriodicalIF":3.8,"publicationDate":"2024-06-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S266702242400210X/pdfft?md5=beb29f1195cec3f1c016132d8080af8d&pid=1-s2.0-S266702242400210X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141482431","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Chemical Physics Impact
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