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First principles study of photogalvanic effect of monolayer SnS 单层SnS光电效应的第一性原理研究
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804221098299
Deyang Yu, Yangyang Hu, Ruiqi Ku, Guiling Zhang, Weiqi Li, YongYuan Jiang
The photogalvanic effect of monolayer SnS was investigated at a small bias voltage under perpendicular irradiation using density functional theory combined with the non-equilibrium Green’s function method. The photocurrent was generated over the entire visible light range, and it was saturated at a small bias voltage for photon energies of 2.4, 2.6, 3.2 and 3.4 eV. The photocurrent shows cosine dependence of the polarization angle, which is attributed to the second-order response to the photoelectric field. These results provide a deeper understanding of the photogalvanic properties of the 2D SnS nanosheet based devices.
利用密度泛函理论和非平衡格林函数方法,研究了垂直辐照下小偏压下单层SnS的光电流效应。光电流在整个可见光范围内产生,在2.4、2.6、3.2和3.4eV的光子能量的小偏置电压下饱和。光电流显示出偏振角的余弦依赖性,这归因于对光电场的二阶响应。这些结果提供了对基于2D SnS纳米片的器件的光电流特性的更深入理解。
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引用次数: 1
Catalyst characterization Ni-Sn nanoparticles supported in Al2O3 and MgO: Acetophenone hydrogenation Al2O3和MgO负载的Ni-Sn纳米颗粒催化剂表征:苯乙酮加氢
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804221132128
Yasna León-Gutiérrez, G. Cárdenas-Triviño
Monometallic and bimetallic Ni and Sn catalysts were prepared in different ratios by the Solvated Metal Atom Dispersed (SMAD) method for the catalytic hydrogenation of acetophenone to 1-phenylethanol. The preparation of the catalysts was carried out by evaporation of Ni and Sn metal atoms and subsequent co-deposition at 77 K using 2-isopropanol as solvent on alumina and magnesium oxide as supports. X-ray photoelectron spectroscopy (XPS) analysis showed a high percentage of nickel atoms in zero valence, while the tin phases were founded in reduced and oxidized form. The average size of the nanoparticles measured by transmission electron microscopy (TEM) ranged from 8 to 15 nm while the metal dispersion on the surface measured by hydrogen chemisorption ranged from 0.07% for Ni1% Sn0.3%/MgO to 3.2% for Ni5%/MgO. Thermogravimetric analysis shows that γ-Al2O3 catalysts exhibit higher thermal stability than MgO catalysts. The catalysis results showed that the best support is MgO reaching 66% conversion in Ni5% Sn0.5%/MgO catalyst.
采用溶剂化金属原子分散(SMAD)法制备了不同配比的单金属和双金属Ni、Sn催化剂,用于苯乙酮加氢制1-苯乙醇。以2-异丙醇为溶剂,氧化铝和氧化镁为载体,通过Ni和Sn金属原子蒸发,在77 K下共沉积制备催化剂。x射线光电子能谱(XPS)分析表明,镍原子中零价的比例很高,而锡相则以还原和氧化形式存在。透射电子显微镜(TEM)测得的纳米颗粒平均尺寸为8 ~ 15 nm,氢化学吸附法测得的表面金属分散度从Ni1% Sn0.3%/MgO的0.07%到Ni5%/MgO的3.2%不等。热重分析表明,γ-Al2O3催化剂比MgO催化剂具有更高的热稳定性。结果表明,在Ni5% Sn0.5%/MgO催化剂中,MgO为最佳载体,转化率达到66%。
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引用次数: 0
Facile synthesis of novel SrO 0.5:MnO 0.5 bimetallic oxide nanostructure as a high-performance electrode material for supercapacitors 新型超级电容器用高性能电极材料SrO0.5:MnO0.5双金属氧化物纳米结构的简易合成
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804211064028
V. Adimule, V. Bhat, B. Yallur, Adarsha HJ Gowda, P. Padova, G. Hegde, A. Toghan
Perovskite bimetallic oxides as electrode material blends can be an appropriate method to enhance the supercapacitor properties. In the present research, SrO 0.5:MnO 0.5 nanostructures (NS) were synthesized by a facile co-precipitation method and calcinated at 750–800°C. Crystal structure of SrO 0.5:MnO 0.5 NS were characterized by X-ray diffraction, surface chemical composition and chemical bond analysis, and dispersion of SrO into MnO was confirmed by X-ray photoelectron spectral studies. Structural morphology was analyzed from scanning electron microscopy. Optical properties of SrO 0.5:MnO 0.5 NS were studied using UV-Visible spectrophotometer and SrO 0.5 and MnO 0.5 NS showed ∼75 nm grain, ∼ 64 nm grain boundary distance, with two maxima at 261 nm and 345 nm as intensity of absorption patterns, respectively. The synthesized SrO 0.5:MnO 0.5 NS exhibited high specific capacitance of 392.8 F/g at a current density of 0.1 A/g. Electrochemical impedance spectroscopy results indicated low resistance and very low time constant of 0.2 s ∼73% of the capacitance was retained after 1000 galvanostatic charge-discharge (GCD) cycles. These findings indicate that SrO 0.5:MnO 0.5 bimetallic oxide material could be a promising electrode material for electrochemical energy storage systems.
钙钛矿双金属氧化物作为电极材料的共混物可以是提高超级电容器性能的合适方法。在本研究中,通过简单的共沉淀方法合成了SrO0.5:MnO0.5纳米结构(NS),并在750–800°C下煅烧。通过X射线衍射、表面化学成分和化学键分析对SrO0.5:MnO0.5NS的晶体结构进行了表征,并通过X射线光电子能谱研究证实了SrO在MnO中的分散。通过扫描电子显微镜分析结构形态。使用紫外-可见分光光度计研究了SrO0.5:MnO0.5NS的光学性质,SrO0.5和MnO0.5NS显示出~75nm的晶粒和-64nm的晶界距离,吸收图案强度分别为261nm和345nm处的两个最大值。合成的SrO0.5:MnO0.5NS在0.1A/g的电流密度下表现出392.8F/g的高比电容。电化学阻抗谱结果表明,在1000次恒电流充放电(GCD)循环后,保持了0.2 s~73%的低电阻和非常低的时间常数。这些发现表明,SrO0.5:MnO0.5双金属氧化物材料可能是一种很有前途的电化学储能系统电极材料。
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引用次数: 8
Formation of oxide crystallites on the porous GaAs surface by electrochemical deposition 电化学沉积在多孔GaAs表面形成氧化物微晶
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804221127307
Y. Suchikova, S. Kovachov, I. Bohdanov
We demonstrate how the formation of octahedral microcrystals of arsenic oxide As2O3 in the form of arsenolite with a size of 200 nm to 10 μm can be initiated by the electrochemical etching method with simultaneous deposition on the surface of substrates with n-GaAs (111). Crystallites were formed on a previously synthesized porous layer of GaAs. To explain the behavior of formation on the surface of the monocrystalline GaAs porous layer and As2O3 crystallites in the electrochemical reaction, we propose a qualitative model based on the decomposition of binary semiconductors in contact with electrolytes. Under this model, the crystallization of precipitated oxides occurs as a result of the transfer of ions to the crystal surface as a result of the electrolysis process. The formation of the composite structure takes place on the surface of the semiconductor and is characterized by the minimization of elastic energy. XRD analysis showed the formation of a complex compound of As2O3 and As0.172Sb0.570O1.113. The appearance of antimony is explained in terms of the formation of new centers when the As atom is replaced by an Sb doping atom in the crystal. Directed controlled oxidation technologies make it possible to synthesize a reliable passivating layer consisting of one type of oxide, namely As2O3 in the cubic phase of arsenolite. In addition, such structures can be used in photonics devices and as photocatalysts.
我们演示了如何通过电化学蚀刻方法在衬底表面同时沉积n-GaAs(111),以砷石的形式形成尺寸为200 nm至10μm的氧化砷As2O3的八面体微晶。晶体是在先前合成的GaAs多孔层上形成的。为了解释电化学反应中单晶GaAs多孔层和As2O3晶粒表面的形成行为,我们提出了一个基于与电解质接触的二元半导体分解的定性模型。在该模型下,沉淀氧化物的结晶是由于电解过程中离子转移到晶体表面的结果。复合结构的形成发生在半导体的表面上,其特征在于弹性能的最小化。XRD分析显示形成了As2O3和As0.172Sb0.570O1.113的络合物。锑的出现是根据晶体中As原子被Sb掺杂原子取代时新中心的形成来解释的。定向控制氧化技术使合成一种可靠的钝化层成为可能,该钝化层由一种类型的氧化物组成,即砷石立方相中的As2O3。此外,这种结构可以用于光子学器件和作为光催化剂。
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引用次数: 7
Antimicrobial, antioxidant, and angiogenic bioactive silver nanoparticles produced using Murraya paniculata (L.) jack leaves 使用Murraya paniculata(L.)jack leaves生产的抗菌、抗氧化和血管生成生物活性银纳米颗粒
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804211056167
Purushothaman Rama, A. Baldelli, A. Vignesh, A. Altemimi, G. Lakshmanan, R. Selvam, N. Arunagirinathan, K. Murugesan, Anubhav Pratap-Singh
Murraya paniculata (MP) can be used as a reducing agent to produce silver nanoparticles (AgNPs) using a simple procedure. AgNPs are characterized in morphological and chemical properties, antioxidant activity, and cytotoxicity. The morphology of AgNPs derived from MP shows a face-centered cubic structure, spherical shape with an average particle size of 23 nm. The chemical structure shows characteristic peaks of AgNPs using UV-vis spectrometer at 438 nm. The formation of AgNPs is confirmed by analyzing their vibrational states under infrared radiation; typical peaks of AgNPs are recognized: at 3429 cm−1 (O-H stretch, H-bonded alcohols, phenols groups), 2923 cm−1 (C-H stretch alkanes), 1626 cm−1 (N-H bend 1° amines), 1583 cm−1 (C-C stretch in ring aromatic), 1039 cm−1 (C-N stretch aliphatic amines), 728 cm−1 (C-Cl stretch alkyl halides), and 589 cm−1 (C-Br stretch alkyl halides), respectively. AgNPs produced from MP show antioxidant activity and cytotoxicity. They show the highest sensitivity toward Bacillus cereus. Cytotoxicity of biosynthesized AgNPs, determined by scratch wound assay on in vitro human endothelial vein cell, created from MP showed dose-dependent activity. These AgNPs, at a concentration of 15.625 μg/mL, stimulate the proliferation and migration of endothelial cells (EC) showing an angiogenic activity.
Murraya paniculata(MP)可以用作还原剂,使用简单的程序生产银纳米颗粒(AgNP)。AgNPs具有形态和化学特性、抗氧化活性和细胞毒性。源自MP的AgNPs的形态显示出面心立方结构、平均粒径为23nm的球形。使用UV-vis光谱仪在438nm处显示AgNPs的化学结构的特征峰。通过分析AgNPs在红外辐射下的振动状态,证实了AgNPs的形成;AgNPs的典型峰被识别为:分别在3429 cm−1(O-H伸缩、H-键合醇、酚基)、2923 cm−1、1626 cm−1。MP产生的AgNPs具有抗氧化活性和细胞毒性。它们对蜡样芽孢杆菌表现出最高的敏感性。通过对体外人内皮静脉细胞的划痕试验测定,由MP产生的生物合成AgNPs的细胞毒性显示出剂量依赖性活性。这些浓度为15.625μg/mL的AgNPs刺激内皮细胞(EC)的增殖和迁移,显示出血管生成活性。
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引用次数: 14
Immunosensing the rheumatoid arthritis biomarker through bifunctional aldehyde-amine linkers on an iron oxide nanoparticle seeded voltammetry sensor 通过氧化铁纳米粒子种子伏安传感器上的双功能醛胺连接物免疫感应类风湿性关节炎生物标志物
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804221085103
Bowei Zhou, Yonglong Yan, Jingbo Xie, Hong-bo Huang, Heyun Wang, S. Gopinath, P. Anbu, Sanshan He, Lijun Zhang
An immunosensor was developed on an interdigitated electrode (IDE) by voltammetry sensing for the early identification of the autoimmune disease ‘rheumatoid arthritis (RA)’ by detecting the biomarker anti-cyclic citrullinated peptide antibody (anti-CCP). Higher immobilization of cyclic citrullinated peptide (CCP) as a probe was achieved by using green synthesized iron oxide nanoparticles (IONPs). Field-emission scanning electron microscopy and field-emission transmission electron microscopy observations revealed that the polydispersed material displayed multifaceted features. X-ray photoelectron spectroscopy analysis confirms the occurrence of Fe, O, and C groups on the synthesized IONPs. IONPs were immobilized with a probe on IDE through bifunctional aldehyde-amine linkers. Due to the elevated occupancy of CCP and the highly efficient electric transfer from IONPs, higher changes in current are observed upon binding of anti-CCP with CCP. In the linear range from 8 to 250 pg/mL, the sensitivity and detection limit of anti-CCP were 8 and 15 pg/mL, respectively, with a regression coefficient of y = 1E−06x−3E−07; R2 = 0.9637. Control experiments with nonimmune antibody and anti-carcinoembryonic antigen indicate the specific detection of anti-CCP. Furthermore, spiking of anti-CCP in human serum does not interfere, representing the specific detection of anti-CCP. This CCP-immobilized IDE through IONP helps to quantify anti-CCP levels in the biological fluid for diagnosing RA.
采用伏安感应技术,在交叉指状电极(IDE)上开发了一种免疫传感器,通过检测抗环瓜氨酸肽抗体(anti-CCP)的生物标志物,用于自身免疫性疾病类风湿关节炎(RA)的早期识别。利用绿色合成的氧化铁纳米颗粒(IONPs)实现了环瓜氨酸肽(CCP)探针的高固定化。场发射扫描电镜和场发射透射电镜观察表明,多分散材料具有多面性。x射线光电子能谱分析证实在合成的离子上存在Fe、O和C基团。通过双功能醛-胺连接剂,用探针在IDE上固定离子离子。由于CCP的占用率升高以及IONPs的高效电转移,当anti-CCP与CCP结合时,观察到电流的较大变化。在8 ~ 250 pg/mL的线性范围内,抗ccp的灵敏度和检出限分别为8和15 pg/mL,回归系数为y = 1E−06x−3E−07;R2 = 0.9637。非免疫抗体和抗癌胚胎抗原对照实验表明抗ccp特异性检测。此外,人血清中抗ccp的尖峰不受干扰,代表了抗ccp的特异性检测。这种通过IONP固定ccp的IDE有助于量化生物液中的抗ccp水平,用于诊断RA。
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引用次数: 4
Enhancing the optical performance of organic light-emitting diodes using nanoscale random rubbed structure 利用纳米尺度无规摩擦结构增强有机发光二极管的光学性能
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804221132983
Cheol-Ju Shin, Seungwon Lee, Kwang Wook Choi, Young Hyun Hwang, Y. Park, B. Ju
In this study, we evaluated a nanoscale random rubbed structure (nRRS) used as a scattering layer in organic light-emitting diodes (OLEDs) through an innovative manufacturing method. The rubbing technique, which is conventionally utilized only for liquid crystal alignment, is a manufacturing process with excellent merit in that it can form nanoscale random corrugation in a large area without vacuum equipment even at room temperature, and it is simple and inexpensive. The optimized nRRS, fabricated via rubbing, exhibited a high transmittance of 97.8% and haze of 17.8%, making it suitable as a scattering layer for OLEDs. Owing to its random nature, the scattering effect occurred effectively by rearranging the waveguided light inside the glass substrate. The OLED combined with the optimized nRRS showed a 25.4% improvement in the external quantum efficiency. Additionally, the spectral distortion according to the viewing angle was alleviated, which was confirmed by the negligible difference in the International Commission on Illumination 1931 color space coordinates (∆(x, y) = (0.01, 0.013)). The optical performance of the nRRS–OLED was predicted through a finite-difference time-domain simulation and verified by showing results consistent with those of the fabricated device. This research is expected to be widely applied in many optical devices because it is possible to form a random corrugation on the outside of the device without the difficulty of simply fabricating a beneficial optical structure.
在这项研究中,我们通过一种创新的制造方法评估了用于有机发光二极管(oled)散射层的纳米级随机摩擦结构(nRRS)。摩擦技术是一种传统上仅用于液晶排列的制造工艺,其优点是即使在室温下也可以在不需要真空设备的情况下大面积形成纳米级无规波纹,而且工艺简单、成本低廉。通过摩擦法制备的nRRS具有97.8%的高透光率和17.8%的高雾度,适合作为oled的散射层。由于其随机性,将波导光重新排列在玻璃衬底内,可以有效地产生散射效应。结合优化后的nRRS, OLED的外量子效率提高了25.4%。此外,由于视角的不同,光谱畸变也得到了缓解,这一点可以通过国际照明委员会(International Commission on Illumination) 1931色彩空间坐标(∆(x, y) =(0.01, 0.013))的可忽略差异得到证实。通过时域有限差分仿真对nRRS-OLED的光学性能进行了预测,并与实际器件的光学性能进行了验证。该研究有望广泛应用于许多光学器件中,因为它可以在器件外部形成随机波纹,而无需简单地制造有益的光学结构。
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引用次数: 0
The role of CNT in surface defect passivation and UV emission intensification of ZnO nanoparticles 碳纳米管在ZnO纳米颗粒表面缺陷钝化和紫外发射增强中的作用
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804221079419
K. Nagpal, L. Rapenne, D. Wragg, E. Rauwel, P. Rauwel
We report on the controlled enhancement of the UV emission from ZnO nanoparticles synthesized via hydrothermal sol-gel routes. Various characterization techniques were used in this study to determine the crystal structure, defect formation, morphology and size of the ZnO nanoparticles. Firstly, the crystallinity of the ZnO nanoparticles was assessed by X-ray diffraction. The role of the precursor quantities on their morphology and bandgap states was investigated via transmission electron microscopy and photoluminescence spectroscopy, respectively. Subsequently, the impurity content and related bonds were evaluated by Fourier-transform infrared spectroscopy. In this work, the ZnO nanoparticles manifest a sharp UV emission along with a subdued green emission in the visible region. Conjoining ZnO with carbon nanotubes (CNT) suppressed the visible emission, as well as blueshifted and intensified the UV emission by ∼5-fold. These results suggest that CNT are effective in passivating the surface states of ZnO nanoparticles.
我们报道了通过水热溶胶-凝胶途径合成的ZnO纳米颗粒的紫外发射的可控增强。在本研究中使用了各种表征技术来确定ZnO纳米颗粒的晶体结构、缺陷形成、形貌和尺寸。首先,通过x射线衍射对ZnO纳米粒子的结晶度进行了表征。通过透射电子显微镜和光致发光光谱分别研究了前驱体量对其形貌和带隙状态的影响。随后,用傅里叶变换红外光谱对杂质含量和相关键进行了表征。在这项工作中,ZnO纳米颗粒在可见光区域表现出明显的紫外发射和柔和的绿色发射。ZnO与碳纳米管(CNT)的结合抑制了可见光发射,并使紫外发射蓝移和增强了约5倍。这些结果表明碳纳米管可以有效地钝化ZnO纳米颗粒的表面状态。
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引用次数: 6
Nanomaterials effects on induced magnetic field and double-diffusivity convection on peristaltic transport of Prandtl nanofluids in inclined asymmetric channel 纳米材料对感应磁场和双扩散对流的影响普朗特纳米流体在倾斜不对称通道中的蠕动传输
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804211048630
S. Akram, M. Athar, Khalid Saeed, Mir Yasir Umair
The effects of induced magnetic field, thermal and concentration convection on the peristaltic flow of Prandtl nanofluids are explored in this study in an inclined asymmetric channel. A detailed mathematical explanation is given for Prandtl nanofluids with double-diffusivity convection and induced magnetic field. To simplify non-linear partial differential equations, the long wavelength and low approximation of the Reynolds number are used. Using numerical technique, the non-linear differential equations are solved. Exact solutions of thermal and concentration are calculated. The impact of the various physical parameters of flow quantities is shown in graphical results.
本研究探讨了感应磁场、热对流和浓度对流对Prandtl纳米流体在倾斜不对称通道中蠕动流动的影响。对具有双扩散率对流和感应磁场的普朗特纳米流体给出了详细的数学解释。为了简化非线性偏微分方程,使用雷诺数的长波长和低近似。利用数值技术求解非线性微分方程。计算了热和浓度的精确解。流量的各种物理参数的影响显示在图形结果中。
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引用次数: 17
New insights into hydrophobicity at nanostructured surfaces: Experiments and computational models 纳米结构表面疏水性的新见解:实验和计算模型
IF 3.7 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2022-01-01 DOI: 10.1177/18479804211062316
J. Macko, N. Podrojková, R. Oriňaková, A. Oriňak
This review deals with different aspects of hydrophobicity at nanostructured surfaces. Theoretical and geometric effects as well as those of surface feature geometry on hydrophobicity are explored in this article. This review includes surface modification methods used to change surface hydrophobicity and effect on adhesion of cells as nano substrate. A small chapter is devoted to hydrophobicity at self-assembled monolayers as a special type of nanostructured surface. To the different models describing hydrophobicity is devoted one up to dated chapter. Calculation methods including quantum, density functional theory, and molecular modeling bring novel perspectives to the study of hydrophobicity at nanostructured surfaces. Graphical Abstract
本文综述了纳米结构表面疏水性的不同方面。本文探讨了理论效应和几何效应以及表面几何特征对疏水性的影响。本文综述了纳米材料的表面改性方法及其对表面疏水性的影响。有一小章专门讨论自组装单层作为一种特殊类型的纳米结构表面的疏水性。有一章专门讨论描述疏水性的不同模型。计算方法包括量子、密度泛函理论和分子模型,为纳米结构表面的疏水性研究带来了新的视角。图形抽象
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引用次数: 9
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