optical band gap

  • 文章类型: Journal Article
    本文报道了掺入Yb3离子对三重电离Ho3掺杂的碲酸盐锌(TZ)玻璃的频率下转换发光和热性能的影响。记录了Ho3/Yb3掺杂和共掺杂玻璃的光致发光光谱,并观察到在各种激发下对应于5F4,5S2→5I8(〜550nm)跃迁的绿色发射带。在下变频(DC)发射过程中,还探索了从Ho3离子到Yb3离子的反向能量转移(BET)机制。发现在下转换过程中发射的颜色在不同的激发下是不可调的。因此,Ho3+:TZ玻璃可用于各种UV激发下的非颜色可调光学器件。此外,已经测量了掺杂和共掺杂玻璃的玻璃化转变温度(Tg)和结晶温度(Tc),并且发现在共掺杂玻璃中升高。单掺杂Ho3+离子的TZ玻璃显示出更好的光学下转换和玻璃形成能力。
    This paper reports the effect of incorporation of Yb3+ions on the frequency downconversion luminescence and thermal properties of triply ionised Ho3+doped zinc tellurite (TZ) glasses. The photoluminescence spectra of both the Ho3+/Yb3+doped and codoped glasses have been recorded and observed a green emission band corresponding to the5F4,5S2→5I8(∼550 nm) transition upon various excitations. In the downconversion (DC) emission process, the back energy transfer (BET) mechanism from Ho3+ions to Yb3+ions has also been explored. The colour emitted in the downconversion process is found to be non-tunable at different excitations. Thus, the Ho3+:TZ glass can be utilised for non-colour tunable optical devices under various UV excitations. Also the glass transition (Tg) and crystallisation (Tc) temperatures have been measured for both the doped and codoped glasses and found to be increased in the codoped glass. The singly Ho3+ions doped TZ glass shows better optical downconversion and glass forming ability.
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  • 文章类型: Journal Article
    氧化铌(Nb2O5)是一种具有光致变色性能的通用半导体材料。这项研究调查了非晶体的局部结构,通过溶胶-凝胶法合成的短程有序氧化铌。X射线原子对分布函数分析在局部尺度上揭示了非晶材料内的结构排列。在下文中,原位散射和衍射实验阐明了在550°C下无定形材料到晶体TT-Nb2O5的热诱导结构转变。此外,通过将短程有序晶体材料暴露于紫外光下,研究了光催化条件对材料结构的影响,导致从白色到深棕色或蓝色的可逆颜色变化。这种光致变色响应是由于最近的Nb-O邻居的可逆伸长,如基于原位PDF分析的局部结构分析所示。基于对短程有序材料和晶体材料收集的紫外可见光谱的光学带隙计算表明,变暗材料的带隙值降低后恢复到其初始状态。此外,电子能量损失谱显示,Nb5还原为Nb4中心是一种持续的作用。该研究建立了带隙与氧化铌结构之间的相关性,在原子级提供对结构-性能关系的见解。
    Niobium oxide (Nb2O5) is a versatile semiconductor material with photochromic properties. This study investigates the local structure of noncrystalline, short-range-ordered niobium oxide synthesized via a sol-gel method. X-ray atomic pair distribution function analysis unravels the structural arrangements within the noncrystalline materials at a local scale. In the following, in situ scattering and diffraction experiments elucidate the heat-induced structure transformation of the amorphous material into crystalline TT-Nb2O5 at 550 °C. In addition, the effect of photocatalytic conditions on the structure of the material was investigated by exposing the short-range-ordered and crystalline materials to ultraviolet light, resulting in a reversible color change from white to dark brown or blue. This photochromic response is due to the reversible elongation of the nearest Nb-O neighbors, as shown by local structure analysis based on in situ PDF analyses. Optical band gap calculations based on the ultraviolet-visible spectra collected for both the short-range-ordered and crystalline materials show that the band gap values reduced for the darkened materials return to their initial state after bleaching. Furthermore, electron energy loss spectroscopy reveals the reduction of Nb5+ to Nb4+ centers as a persistent effect. The study establishes a correlation between the band gap and the structure of niobium oxide, providing insights into the structure-performance relation at the atomic level.
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  • 文章类型: Journal Article
    研究了以SrTiO3/碳纳米管(CNT)为纳米填料的聚偏氟乙烯(PVDF)聚合物纳米复合膜的光学性能。通过溶液流延技术制备了PVDF/SrTiO3/CNTs薄膜。X射线衍射(XRD)傅里叶变换红外光谱(FTIR),和扫描电子显微镜(SEM)分析证实了SrTiO3/CNTs掺入PVDF基质中。纳米填料的添加影响了晶体结构,形态学,和薄膜的光学性能。SEM图像显示球晶形态,它是结晶聚合物链的球形聚集体。SrTiO3/CNTs纳米填料的加入改性了聚合物的电子结构,导致能隙的变化。添加0.1wt%的SrTiO3/CNTs增加了带隙,折射率,PVDF薄膜的非线性光学特性。这些改进表明这些纳米复合膜在光电应用如太阳能电池中的潜力,图像传感器,和有机发光二极管。
    The optical properties of polyvinylidene fluoride (PVDF) polymer nanocomposite films incorporating SrTiO3/carbon nanotubes (CNTs) as nanofillers are investigated. PVDF/SrTiO3/CNTs films were prepared by the solution casting technique. X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM) analyses confirmed the incorporation of SrTiO3/CNTs into the PVDF matrix. The addition of nanofillers influenced the crystalline structure, morphology, and optical properties of the films. SEM images showed spherulite morphology, which is a spherical aggregate of crystalline polymer chains. The addition of a SrTiO3/CNTs nanofiller modified the polymer\'s electronic structure, causing a variation in the energy gap. The addition of SrTiO3/CNTs at 0.1 wt% increased the band gap, refractive index, and nonlinear optical properties of the PVDF films. These improvements indicate the potential of these nanocomposite films in optoelectronic applications such as solar cells, image sensors, and organic light-emitting diodes.
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  • 文章类型: Journal Article
    最近的理论研究已经很好地预测了低维材料中应变引起的非单调光学带隙变化。然而,一些2D材料已经被实验证实在变化的应变下表现出非单调的光学带隙变化。这里,我们观察到紫磷纳米片中应变诱导的非单调光学带隙变化,正如光致发光光谱所证明的那样,在我们所知的其他2D材料中已经报道过。光学带隙变化的特征是在压缩和拉伸应变下显示出41meV/%和-24meV/%的调制率,分别。值得注意的是,第一原理计算准确预测和阐明非单调调制,强调其与应变方向相关的非对称分布的导带最小波函数的关系,证明了这种独特的非单调光学带隙调制是由VP独特的晶体结构决定的。这项工作通过应变工程为二维材料的设计提供了深入的见解,以实现光电和光电化学应用。本文受版权保护。保留所有权利。
    Recent theoretical investigations have well-predicted strain-induced nonmonotonic optical band gap variations in low-dimensional materials. However, few two-dimensional (2D) materials are experimentally confirmed to exhibit nonmonotonic optical band gap variation under varying strain. Here, a strain-induced nonmonotonic optical bandgap variation in violet phosphorus (VP) nanosheets is observed, as evidenced by photoluminescence spectroscopy, which is reported in a few other 2D materials in knowledge. The optical bandgap variations are characterized to show the modulation rates of 41 and -24 meV/% with compression and tensile strains, respectively. Remarkably, first-principle calculations predict and clarify the nonmonotonic modulation accurately, highlighting its relationship with the strain direction-dependent asymmetric distribution of conduction band minimum wavefunctions, demonstrating that this unique nonmonotonic optical bandgap modulation is determined by the distinctive crystal structure of VP. This work provides a deep insight into the design of 2D materials toward optoelectronic and photoelectrochemical applications via strain engineering.
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  • 文章类型: Journal Article
    在当前的研究中,已使用化学沉淀法有效合成了各种浓度(0.01-0.04M)的NiO和Cu离子掺杂的NiO纳米颗粒。以下技术用于表征材料的结构,形态学,元素分析,功能组,光学和磁性能:XRD,TEM,HR-TEM,SAED,SEM,EDX,FTIR,UV,PL和VSM。根据这个Scherrer公式,测定纯NiO和Cu掺杂NiO材料的平均晶体尺寸为16.37nm,15.21nm,14.88nm,18.35nm,和10.88纳米,分别。HR-TEM图像显示,d间距值约为0.24nm,与纯的和铜掺杂的NiO纳米粒子的立方NiO的(111)平面重合。Cu掺杂NiO纳米材料的SEM显微照片显示出微小的团聚颗粒,而纯NiO纳米粒子显示球形结构。纯NiO和Cu掺杂的NiO纳米粒子的带隙值为2.32eV,2.29eV,2.24eV,2.22eV,和2.27eV,分别。不同浓度的Cu掺杂NiO纳米粒子(0.01-0.03M)可以显着降低带隙,而不会显着改变结构,使它们成为制造光电器件的潜在材料。铜被掺入到NiO纳米粒子中,这对磁性能产生了重大影响,并将材料从弱铁磁变为铁磁。与未掺杂的NiO纳米粒子相比,0.01M和0.03M的Cu掺杂纳米颗粒的饱和磁化强度和矫顽力值要高得多。该结果表明,这种Cu掺杂的NiO纳米颗粒具有有希望的磁性应用。
    NiO and Cu-ion doped NiO nanoparticles with various concentrations (0.01-0.04 M) have been effectively synthesized in the current investigation using chemical precipitation method. The following techniques were used to characterized the materials\' structural, morphological, elemental analysis, functional group, optical and magnetic properties: XRD, TEM, HR-TEM, SAED, SEM, EDX, FTIR, UV, PL and VSM. According to this Scherrer formula, the average crystalline sizes of the materials of pure NiO and Cu-doped NiO were determined to be 16.37 nm, 15.21 nm, 14.88 nm, 18.35 nm, and 10.88 nm, respectively. The HR-TEM images revealed that the d-spacing values about 0.24 nm, which coincides with the (111) plane of cubic NiO for pure and copper doped NiO nanoparticles. The SEM micrographs of Cu-doped NiO nanomaterials shows tiny agglomerated particles, while that of pure NiO nanoparticles shows spherical structure. Pure NiO and Cu-doped NiO nanoparticles have band gap values of 2.32 eV, 2.29 eV, 2.24 eV, 2.22 eV, and 2.27 eV, respectively. The Cu-doped NiO nanoparticles (0.01-0.03 M) at various concentrations can significantly reduce the band gap without significantly altering the structure, making them a potential material for creating optoelectronic devices. Copper was incorporated into NiO nanoparticles, which had a significant impact on the magnetic properties and changed the material from weakly ferromagnetic to ferromagnetic. In comparison to undoped NiO nanoparticles, the saturation magnetization and coercivity values of the 0.01 M and 0.03 M of Cu-doped nanoparticles is much higher. This outcome demonstrates that such Cu-doped NiO nanoparticles have promising magnetic applications.
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  • 文章类型: Journal Article
    基于(80-y)TeO2-20BiCl3-yRE2O3(y=0,0.6mol%;RE=Nd,Sm,Dy,和Er)准备好了。玻璃的热稳定性通过差示扫描量热法(DSC)测定。制备的玻璃的密度和光能值按Sm2O3,Nd2O3,Dy2O3和Er2O3的顺序增加。此外,与其它样品相比,掺杂有Er2O3的玻璃具有最高的折射率值。随后,对于在碲酸盐玻璃中作为掺杂剂引入的RE3三价稀土离子家族,获得了Judd-Ofelt参数(Ω2,Ω4和Ω6)。从每个RE3+的吸收光谱计算这些参数。通过拉曼光谱反卷积研究了结构,这确定形成了TeO4、TeO3、TeO3+1、BiO6和BiCl6单元。此外,玻璃的结构变化与TeO4/TeO3的强度比有关,具体取决于稀土的类型。对于光学和Judd-Ofelt参数,制备的玻璃的射线光谱结果表明,它是非线性光纤的良好候选者,固体激光材料。
    A series of glasses based on (80-y) TeO2-20 BiCl3-y RE2O3 (y = 0, 0.6 mol%; RE = Nd, Sm, Dy, and Er) were prepared. The thermal stability of the glass was determined by differential scanning calorimetry (DSC). The density and optical energy values of the prepared glass increased in the order of Sm2O3, Nd2O3, Dy2O3, and Er2O3. In addition, the glass doped with Er2O3 had the highest refractive index values compared to the other samples. Subsequently, Judd-Ofelt parameters (Ω2, Ω4, and Ω6) were obtained for the family of RE3+ trivalent rare-earth ions introduced as dopants in a tellurite glass. These parameters were calculated from the absorption spectra for each RE3+. The structures were studied by Raman spectroscopy deconvolution, which determined that TeO4, TeO3, TeO3+1, BiO6, and BiCl6 units had formed. In addition, the structural changes in the glass are related to the intensity ratio of TeO4/TeO3, depending on the type of rare-earth. For the optics and Judd-Ofelt parameters, the ray spectroscopy results of the prepared glass show that it is a good candidate for nonlinear optics fibers, a solid laser material.
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  • 文章类型: Journal Article
    通过不同浓度的Mn的单取代基在SrTiO3的电子结构中产生局部态,研究了晶格畸变和电催化活性。溶胶-凝胶方法已用于制造SrTiO3和SrTi1-xMnxO3纳米结构(NSs)。结构分析表明,Mn掺入了SrTiO3的Ti位点,从而使晶格朝着具有单相立方结构的更高衍射角移动。光学吸收光谱显示带隙从3.27eV减小到1.89eV,并揭示了带边缘位置向可见区的偏移。进行XPS分析以确认氧空位的形成和价带边缘位置。对于SrTi0.88Mn0.12O3,OER和HER在100和10mAcm-2的电流密度下具有445和157mV的过电位。因此,Mn(x=0.12)取代SrTiO3晶格导致晶格畸变,与SrTiO3相比,提高了电化学性能。当前的工作显然确立了SrTiO3晶格中最佳的Mn组成(x=0.12),作为所需的电催化氧化还原电势以及向水分解应用的电荷转移动力学加速的理想材料,具有缺陷的价态。
    The lattice distortion and electrocatalytic activity are investigated by the mono-substituent of Mn with different concentrations to generate localized states in the electronic structure of SrTiO3. The sol-gel approach has been employed to fabricate SrTiO3 and SrTi1-xMnxO3 nanostructures (NSs). The structural analysis indicates Mn incorporation into Ti sites of SrTiO3, which shifts the lattice towards a higher diffraction angle with a single-phase cubic structure. The optical absorption spectra exhibit a decrease in band gap from 3.27 to 1.89 eV and reveal the shift in band edge positions towards the visible region. XPS analysis is carried out to confirm the formation of oxygen vacancies and valence band edge position. For SrTi0.88Mn0.12O3, OER and HER have the overpotential of 445 and 157 mV at a current density of 100 and 10 mA cm-2. Hence, the substitution of Mn (x = 0.12) into SrTiO3 lattice results in lattice distortion that enhances the electrochemical performance compared to SrTiO3. The current work manifestly established the optimal Mn composition (x = 0.12) in SrTiO3 lattice as desirable materials with defective valence states for required electrocatalytic redox potential as well as the acceleration of charge transfer kinetics towards water splitting applications.
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  • 文章类型: Journal Article
    将具有各种单体组成的低压(33.33Pa)等离子体聚合的丙烯酸甲酯和乙酸乙烯酯复合薄膜沉积在玻璃基板上。在相同的等离子体条件下,还制备了均聚物薄膜。观察到复合膜的厚度根据单体比例在117和213nm之间变化。该复合膜表现出光滑,无针孔,和完美的表面形态,超越了均聚物。能量色散X射线研究表明,薄膜主要含有碳和氧,分别为26.09-37.20at%和35.03-40.10at%,分别。复合膜含有更多的碳含量,这增强了膜的稳定性。傅立叶变换红外光谱中一些宽吸收带的出现表明,在形成聚合物时,单体分子的重组或破裂会引起PP薄膜的结构变化。紫外-可见光谱分析表明,通过调整单体比例,复合薄膜表现出可调的光学带隙。丙烯酸甲酯单体的减少将复合膜的直接和间接光学带隙值从3.15降低到3.00eV和2.35降低到1.74eV,分别。而Urbach能量值从0.33eV增加到0.90eV。所有的膜在可见光范围波长(550-800nm)内显示出良好的透射率性质(86-96%)。在复合膜中也发现其它光学参数更好,这表明复合膜在各种光电或电子应用中的适合性。
    Low-pressure (33.33 Pa) plasma polymerized methyl acrylate and vinyl acetate composite thin films with various monomer compositions were deposited onto glass substrates. Under the same plasma conditions, the homopolymer thin films were also prepared. The thickness of the composite films was observed to vary between 117 and 213 nm depending on the monomer ratio. The composite films exhibit a smooth, pinhole-free, and immaculate surface morphology, surpassing that of the homopolymers. The energy dispersive x-ray study shows that the films contain mainly carbon and oxygen with 26.09-37.20 at% and 35.03 - 40.10 at%, respectively. The composite films contain more carbon contents which enhance the film stability. The appearance of some broad absorption bands in the Fourier transform infrared spectroscopy indicates structural changes in the PP films caused by the restructuring or dilapidation of monomer molecules while forming the polymer. The UV-visible spectra analysis reveal that the composite films exhibited a tunable optical band gap by adjusting the monomer ratio. The decrease of methyl acrylate monomer reduces the direct and indirect optical band-gap values of composite films from 3.15 to 3.00 eV and 2.35 to 1.74 eV, respectively. While Urbach energy values increases from 0.33 eV to 0.90 eV. All the films showed good transmittance properties (86 - 96%) in the visible range wavelength (550 - 800 nm). Other optical parameters are also found better in composite films which indicates the aptness of the composite films in various optoelectronic or electronic applications.
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  • 文章类型: Journal Article
    合成了新型二维三聚氰胺碘化铅钙钛矿(2D-C3H8N6PbI4),研究了其结晶度,光学带隙和宽带发射特性,并与2D-C3H8N6PbCl4/2D-C3H8N6PbBr4钙钛矿进行比较。对2D-C3H8N6PbX4的实验和密度泛函理论(DFT)询问(X=Cl,进行Br和I)。晶体结构,用扫描电子显微镜(SEM)确认Pb和卤化物元素的形态和百分位数,和能量色散谱(EDS),粉末/单晶X射线衍射(PXRD/SXRD),DFT和X射线晶体学模拟。2D-C3H8N6PbX4钙钛矿的光学带隙是根据吸光度和DFT研究的Tauc图拟合确定的。观察到2D-C3H8N6PbX4钙钛矿在300和800nm之间的不同宽带发射,可以拟合多个高斯分布。来自2D-C3H8N6PbCl4/2D-C3H8N6PbBr4钙钛矿的宽PL光谱的拟合证实了三聚氰胺阳离子和自陷激子(STE)的德克斯特能量转移。然而,2D-C3H8N6PbI4的宽带发射仅归因于三聚氰胺阳离子的德克斯特能量转移,而STE的不存在归因于2D-C3H8N6PbI4的较大晶格变形。此外,阐明了自旋轨道耦合(SOC)在能量转移中的参与,以证明2D-C3H8N6PbI4的宽带发射在其卤化物家族中是不同的。
    Novel two-dimensional melamine lead iodide perovskite (2D-C3H8N6PbI4) is synthesized to investigate its crystallinity, optical band gap and broadband emission properties and to make comparisons with 2D-C3H8N6PbCl4/2D-C3H8N6PbBr4 perovskites. Both experimental and density functional theory (DFT) interrogations on 2D-C3H8N6PbX4 (X = Cl, Br and I) are conducted. The crystal structure, morphology and percentile of Pb and halide elements are confirmed using scanning electron microscope (SEM), and energy dispersive spectrum (EDS), powder/single crystal X-ray diffraction (PXRD/SXRD), DFT and X-ray crystallography simulations. The optical band gaps of 2D-C3H8N6PbX4 perovskites are determined from the Tauc plot fitting of absorbance and DFT studies. Distinct broadband emission of 2D-C3H8N6PbX4 perovskites between 300 and 800 nm is observed, which can be fitted with multiple Gaussian distributions. The fittings of broad PL spectra from 2D-C3H8N6PbCl4/2D-C3H8N6PbBr4 perovskites confirm the involvement of both Dexter energy transfer from melamine cation and self-trapped excitons (STEs). However, the broadband emission of 2D-C3H8N6PbI4 is attributed only to the Dexter energy transfer from melamine cation and the absence of STEs is attributed to the larger lattice deformation of 2D-C3H8N6PbI4. Moreover, the involvement of spin-orbit coupling (SOC) in the energy transfer is clarified to attest that the broadband emission of 2D-C3H8N6PbI4 is distinct among its halide family.
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  • 文章类型: Journal Article
    将阳极TiO2纳米管在400°C下在空气中转化为锐钛矿2小时,并在不同条件下进行电化学还原。这表明还原的黑色TiOx纳米管在与空气接触时不稳定;然而,与大气中氧气的影响隔离后,它们的寿命甚至延长了几个小时。确定了极化诱导的还原和自发的反向氧化反应的顺序。用模拟阳光照射后,还原的黑色TiOx纳米管产生的光电流低于未还原的TiO2,但观察到较低的电子-空穴复合率和更好的电荷分离。此外,导带边缘和能级(费米能级),负责在TiO2纳米管还原过程中从价带捕获电子,决心。本文提出的方法可用于电致变色材料的光谱电化学和光电化学性能的测定。
    Anodic TiO2 nanotubes were transformed into anatase at 400 °C for 2 h in air and subjected to electrochemical reduction at different conditions. It revealed that the reduced black TiOx nanotubes were not stable in contact with air; however, their lifetime was considerably extended to even a few hours when isolated from the influence of atmospheric oxygen. The order of polarization-induced reduction and spontaneous reverse oxidation reactions were determined. Upon irradiation with simulated sunlight, the reduced black TiOx nanotubes generated lower photocurrents than non-reduced TiO2, but a lower rate of electron-hole recombination and better charge separation were observed. In addition, the conduction band edge and energy level (Fermi level), responsible for trapping electrons from the valence band during the reduction of TiO2 nanotubes, were determined. The methods presented in this paper can be used for determination of the spectroelectrochemical and photoelectrochemical properties of electrochromic materials.
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