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Determination of crystallite size, number of graphene layers and defect density of graphene oxide (GO) and reduced graphene oxide (RGO) 氧化石墨烯(GO)和还原氧化石墨烯(RGO)晶体尺寸、石墨烯层数和缺陷密度的测定
Pub Date : 2019-07-12 DOI: 10.1063/1.5112945
Ashish Kaushal, S. Dhawan, Vishal Singh
Determination of crystallite size, number of graphene layers, interlayer spacing, and defect density with the use of X-ray diffraction and Raman spectroscopic technique. GO was synthesized by using Simple Hummer’s method and was subjected to chemical reduction by using tri-sodium citrate. Particularly, the above parameters have presented by some mathematical equation usage. The shrinkage in the dimensions of crystallite upon reduction leads to decrease in number of graphene layers in each domain and clearly increase the defect density. XRD and Raman stated the formation of GO and its reduction to the formation of RGO.Determination of crystallite size, number of graphene layers, interlayer spacing, and defect density with the use of X-ray diffraction and Raman spectroscopic technique. GO was synthesized by using Simple Hummer’s method and was subjected to chemical reduction by using tri-sodium citrate. Particularly, the above parameters have presented by some mathematical equation usage. The shrinkage in the dimensions of crystallite upon reduction leads to decrease in number of graphene layers in each domain and clearly increase the defect density. XRD and Raman stated the formation of GO and its reduction to the formation of RGO.
利用x射线衍射和拉曼光谱技术测定晶体尺寸、石墨烯层数、层间间距和缺陷密度。采用简单Hummer法合成氧化石墨烯,并用柠檬酸三钠进行化学还原。特别地,用一些数学公式表示了上述参数。在还原过程中,晶体尺寸的收缩导致每个区域的石墨烯层数减少,缺陷密度明显增加。XRD和Raman表征了GO的形成及其还原成RGO的过程。利用x射线衍射和拉曼光谱技术测定晶体尺寸、石墨烯层数、层间间距和缺陷密度。采用简单Hummer法合成氧化石墨烯,并用柠檬酸三钠进行化学还原。特别地,用一些数学公式表示了上述参数。在还原过程中,晶体尺寸的收缩导致每个区域的石墨烯层数减少,缺陷密度明显增加。XRD和Raman表征了GO的形成及其还原成RGO的过程。
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引用次数: 45
Structure-property correlations of bis(nitrofurazano) furazan(BNFF-1): A density functional theory study 二硝基呋喃呋喃(BNFF-1)的结构-性质相关性:密度泛函理论研究
Pub Date : 2019-07-12 DOI: 10.1063/1.5113230
S. Mondal, J. Kumar, E. N. Rao, G. Vaitheeswaran
This study presents structural, elastic and electronic properties of BNFF-1 using density functional theory (DFT). For obtaining correct ground state structure, two different dispersion corrected methods (Grimme (G06) and Tkatchenko-Scheffler (TS)) along with standard DFT functional have been used. The obtained results with TS functional show less deviation (∼1.2%) than G06 (∼1.7%). This small difference could be due to the relative variation in dispersion coefficients incorporated. The structural parameters from van der Waals (vdW) corrected schemes clearly informs about the role of weak interactions and bond polarizability differences on the structural stability of BNFF-1. The calculated bulk modulus and its pressure derivative using third order birch murnaghan equation of state are 11.43 GPa (17.46 GPa: polycrystalline using Hill approximation) and 8.17 respectively. From the magnitude of bulk modulus we can conclude that BNFF-1 is similar to well known energetic material RDX. The order of compressibility of the lattice parameters obtained from the first order pressure coefficient is c > a > b. The study of elastic constants and the related properties of this material has also been carried out to know the impact and frictional sensitivity of this material. At the end, electronic band structure calculation results at TS level, reveal that, BNFF-1 is a direct band gap (3.02 eV) material along Γ-Γ direction in the first Brillion zone. Overall, the effect of bond polarizability through TS-scheme is well addressed in order to understand the various structure-property correlations.
利用密度泛函理论(DFT)研究了BNFF-1的结构、弹性和电子特性。为了获得正确的基态结构,使用了两种不同的色散校正方法(grime (G06)和Tkatchenko-Scheffler (TS))以及标准DFT泛函。用TS函数得到的结果比G06(~ 1.7%)偏差更小(~ 1.2%)。这种微小的差异可能是由于纳入的分散系数的相对变化。van der Waals (vdW)修正方案的结构参数清楚地说明了弱相互作用和键极化率差异对BNFF-1结构稳定性的作用。利用三阶桦木murnaghan状态方程计算得到的体积模量和压力导数分别为11.43 GPa(希尔近似计算得到的多晶体积模量为17.46 GPa)和8.17 GPa。从体积模量的大小可以得出结论,BNFF-1类似于众所周知的高能材料RDX。由一阶压力系数得到的晶格参数的可压缩性顺序为c > a > b,并对该材料的弹性常数及相关性质进行了研究,以了解该材料的冲击敏感性和摩擦敏感性。最后,TS能级的电子能带结构计算结果表明,BNFF-1在第一brilion区沿Γ-Γ方向为直接带隙(3.02 eV)材料。总的来说,通过ts方案很好地解决了键极化率的影响,以便了解各种结构-性质相关性。
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引用次数: 0
Fluorescence imaging of Er3+/Yb3+ codoped tungsten tellurite glasses with silver nanoparticles 纳米银Er3+/Yb3+共掺碲酸钨玻璃的荧光成像
Pub Date : 2019-07-12 DOI: 10.1063/1.5113104
S. K. Mahajan, R. Jain
The Er3+ - Yb 3+ doped TeO2 -WO3- Li2O (TWLEY) ternary doped with and without Ag nanoparticles (NPs) glasses have been synthesized by melt quenching technique. Surface Plasmon resonance bands in the glasses are measured and verified in the range 535-550 nm and 640-650 nm under 488nm laser excitation by lambda scanning technique of the confocal fluorescence microscope. Fluorescence Intensity map of TWLEY and TWLEY03A are observed at 545nm. The Fluorescence Lifetime Imaging Microscopy (FLIM) studies has been conducted for the imaging and lifetime measurement using pulsed laser diode of 405 nm, 6ns,40 MHz of PicoQuant and result are analyzed by decay and lifetime histograms. This work shows that Plasmon enhances photoluminescence of silver and rare-earth doped glasses may be utilized for biomedical imaging.The Er3+ - Yb 3+ doped TeO2 -WO3- Li2O (TWLEY) ternary doped with and without Ag nanoparticles (NPs) glasses have been synthesized by melt quenching technique. Surface Plasmon resonance bands in the glasses are measured and verified in the range 535-550 nm and 640-650 nm under 488nm laser excitation by lambda scanning technique of the confocal fluorescence microscope. Fluorescence Intensity map of TWLEY and TWLEY03A are observed at 545nm. The Fluorescence Lifetime Imaging Microscopy (FLIM) studies has been conducted for the imaging and lifetime measurement using pulsed laser diode of 405 nm, 6ns,40 MHz of PicoQuant and result are analyzed by decay and lifetime histograms. This work shows that Plasmon enhances photoluminescence of silver and rare-earth doped glasses may be utilized for biomedical imaging.
采用熔体淬火技术合成了Er3+ - yb3 +掺杂TeO2 - wo3 - Li2O (TWLEY)三元掺杂和不掺杂Ag纳米玻璃。利用共聚焦荧光显微镜λ扫描技术,在488nm激光激发下,测量并验证了玻璃表面等离子体共振带在535 ~ 550 nm和640 ~ 650 nm范围内的分布。在545nm处观察TWLEY和TWLEY03A的荧光强度图。利用PicoQuant公司405nm、6ns、40mhz的脉冲激光二极管对荧光寿命成像显微镜(FLIM)进行了成像和寿命测量研究,并对结果进行了衰减和寿命直方图分析。该研究表明,等离子体激元增强了银和稀土掺杂玻璃的光致发光,可用于生物医学成像。采用熔体淬火技术合成了Er3+ - yb3 +掺杂TeO2 - wo3 - Li2O (TWLEY)三元掺杂和不掺杂Ag纳米玻璃。利用共聚焦荧光显微镜λ扫描技术,在488nm激光激发下,测量并验证了玻璃表面等离子体共振带在535 ~ 550 nm和640 ~ 650 nm范围内的分布。在545nm处观察TWLEY和TWLEY03A的荧光强度图。利用PicoQuant公司405nm、6ns、40mhz的脉冲激光二极管对荧光寿命成像显微镜(FLIM)进行了成像和寿命测量研究,并对结果进行了衰减和寿命直方图分析。该研究表明,等离子体激元增强了银和稀土掺杂玻璃的光致发光,可用于生物医学成像。
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引用次数: 0
Synthesis and initial characterization of PS-PMMA blend film for annealing induced phase mixing study PS-PMMA共混膜的合成及初步表征
Pub Date : 2019-07-12 DOI: 10.1063/1.5113135
S. Tripathi, P. Rao, S. Jha
We report the initial characterization results of spin coated films prepared by blending the optimized concentration of 10 weight % polystyrene in Poly(methyl methacrylate) (PMMA) followed by spin coating on glass. The films are highly transparent with clear evidence of phase separation induced patterning which is a novel observation as this patterning is generally induced when the films are annealed. In contrast, annealing of our film shows mixing of the layers without any bond breakage, resulting in a smooth layer with no presence of patterns anymore.We report the initial characterization results of spin coated films prepared by blending the optimized concentration of 10 weight % polystyrene in Poly(methyl methacrylate) (PMMA) followed by spin coating on glass. The films are highly transparent with clear evidence of phase separation induced patterning which is a novel observation as this patterning is generally induced when the films are annealed. In contrast, annealing of our film shows mixing of the layers without any bond breakage, resulting in a smooth layer with no presence of patterns anymore.
本文报道了在聚甲基丙烯酸甲酯(PMMA)中掺入质量分数为10%的最佳浓度的聚苯乙烯,然后在玻璃上进行自旋镀膜制备自旋镀膜膜的初步表征结果。薄膜是高度透明的,有明显的相分离诱导图案化的证据,这是一个新的观察,因为这种图案化通常是在薄膜退火时诱导的。相比之下,我们的薄膜退火显示混合层没有任何键断裂,导致光滑的层,不再存在图案。本文报道了在聚甲基丙烯酸甲酯(PMMA)中掺入质量分数为10%的最佳浓度的聚苯乙烯,然后在玻璃上进行自旋镀膜制备自旋镀膜膜的初步表征结果。薄膜是高度透明的,有明显的相分离诱导图案化的证据,这是一个新的观察,因为这种图案化通常是在薄膜退火时诱导的。相比之下,我们的薄膜退火显示混合层没有任何键断裂,导致光滑的层,不再存在图案。
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引用次数: 0
Fabrication and characterization of porous mullite ceramics 多孔莫来石陶瓷的制备与表征
Pub Date : 2019-07-12 DOI: 10.1063/1.5112863
G. Kiran, Kundrapu Shyam Kumar, A. Yadav, S. Bhattacharyya
Porous mullite was fabricated from kaolin and alumina using naphthalene as a pore-former. For different wt.% of naphthalene addition, the apparent porosity (%) was analysed. The mechanical strength was estimated through flexural strength and diametral tensile strength. Fabricated pellets were sintered at 1400°C, 1500°C, 1600°C to study the effect of pore former on phase formation and porosity distribution through X-Ray diffraction study and FESEM microstructure analysis. The analysis showed 39.79% of porosity in the case of 20wt.% naphthalene addition with flexural strength of 21.93MPa. This pointed towards the application of this product as a membrane support material.Porous mullite was fabricated from kaolin and alumina using naphthalene as a pore-former. For different wt.% of naphthalene addition, the apparent porosity (%) was analysed. The mechanical strength was estimated through flexural strength and diametral tensile strength. Fabricated pellets were sintered at 1400°C, 1500°C, 1600°C to study the effect of pore former on phase formation and porosity distribution through X-Ray diffraction study and FESEM microstructure analysis. The analysis showed 39.79% of porosity in the case of 20wt.% naphthalene addition with flexural strength of 21.93MPa. This pointed towards the application of this product as a membrane support material.
以萘为成孔剂,以高岭土和氧化铝为原料制备多孔莫来石。对不同的萘添加量进行了表观孔隙率(%)分析。机械强度通过弯曲强度和直径拉伸强度估算。将制备好的球团在1400℃、1500℃、1600℃进行烧结,通过x射线衍射研究和FESEM微观结构分析,研究成孔剂对相形成和孔隙分布的影响。分析表明,在20wt的情况下,孔隙率为39.79%。%萘的加入,抗弯强度为21.93MPa。这指向了该产品作为膜支撑材料的应用。以萘为成孔剂,以高岭土和氧化铝为原料制备多孔莫来石。对不同的萘添加量进行了表观孔隙率(%)分析。机械强度通过弯曲强度和直径拉伸强度估算。将制备好的球团在1400℃、1500℃、1600℃进行烧结,通过x射线衍射研究和FESEM微观结构分析,研究成孔剂对相形成和孔隙分布的影响。分析表明,在20wt的情况下,孔隙率为39.79%。%萘的加入,抗弯强度为21.93MPa。这指向了该产品作为膜支撑材料的应用。
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引用次数: 1
Structural and dielectric properties of Na0.7Bi0.3TiO3 Na0.7Bi0.3TiO3的结构和介电性能
Pub Date : 2019-07-12 DOI: 10.1063/1.5112965
S. Dagar, Ashima Hooda, D. Ahlawat, N. Sharma, S. Khasa
Na0.7Bi0.3TiO3 pervoskite were developed through solid state reaction method. The formation of rhombohedral crystal structure was confirmed from the XRD and rietveld refinement. Dielectric properties of the sample were studied in the frequency range 1kHz to 5MHz in temperature range from room temperature to 400°C. Dielectric constant and tangent loss increases with increase in temperature and decrease with increase in frequency for prepared composition. AC conductivity pattern obey Jonscher’s power law and appears nearly constant at lower frequencies and increases at higher frequencies. Dc conductivity and corresponding activation energy for the prepared composition were measured. DC conductivity obeys Arrehenius relation. Dc conductivity and activation energy increases as temperature increases.
采用固相反应法制备了Na0.7Bi0.3TiO3钙钛矿。通过XRD和rietveld细化,证实了该材料形成了菱形晶体结构。在室温至400℃的温度范围内,研究了样品在1kHz至5MHz的频率范围内的介电性能。在所制备的组合物中,介电常数和切线损耗随温度的升高而增大,随频率的增加而减小。交流电导率模式服从琼舍尔幂定律,在较低频率下几乎不变,在较高频率下增加。测定了所制备组合物的直流电导率和相应的活化能。直流电导率服从阿雷尼乌斯关系。直流电导率和活化能随温度升高而增大。
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引用次数: 0
Effect of tetragonal distortion induced by interstitial C-doping in L10-FeNi 间质c掺杂对L10-FeNi中四方畸变的影响
Pub Date : 2019-07-12 DOI: 10.1063/1.5113336
P. Rani, J. Thakur, Ankur Taya, M. K. Kashyap
In order to tune the magnetocrystalline anisotropy (MCA) of L10-FeNi by introducing tetragonal distortion, we have investigated FeNi with interstitial C-doping using full-potential approach within generalized gradient approximation (GGA). Our calculations foretell that these structural distortions of FeNi result in a large MCA of 1.88 MJ/m3 at the cost of small suppression in saturation magnetization. Moreover, calculated formation energy also promotes the structural stability of FeNi:C over FeNi. Hence, L10-FeNi:C alloy has the potential to act as opportune rare-earth free permanent magnetic material.
为了通过引入四方畸变来调整L10-FeNi的磁晶各向异性(MCA),我们利用广义梯度近似(GGA)下的全势方法研究了间隙c掺杂的FeNi。我们的计算表明,FeNi的这些结构扭曲导致了1.88 MJ/m3的大MCA,代价是对饱和磁化的抑制很小。此外,计算出的地层能量也促进了FeNi:C比FeNi的结构稳定性。因此,L10-FeNi:C合金具有作为理想的无稀土永磁材料的潜力。
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引用次数: 2
Thermal, optical and Raman spectroscopy studies of lithium tellurite glasses containing molybdenum and tungsten ions 含钼和钨离子碲酸锂玻璃的热、光学和拉曼光谱研究
Pub Date : 2019-07-12 DOI: 10.1063/1.5113092
A. Kaur, A. Khanna
Lithium tellurite glasses are fabricated and characterized by density, X-ray diffraction (XRD), thermal analysis, UV-Visible and Raman spectroscopy. Density of glasses decreases with incorporation of MoO3 in lithium tellurite glasses, whereas density increases with the addition of WO3, these changes in density are due to different molar mass of constituents. The introduction of MoO3 and WO3 in lithium tellurite glasses enhances the glass transition temperature and thermal stability. Raman studies revealed that the network structure of the glasses consists of TeO4 and TeO3/TeO3+1 units. The present glass system have potential application for development of laser materials, optical waveguides, and crystal-free optical fibres.Lithium tellurite glasses are fabricated and characterized by density, X-ray diffraction (XRD), thermal analysis, UV-Visible and Raman spectroscopy. Density of glasses decreases with incorporation of MoO3 in lithium tellurite glasses, whereas density increases with the addition of WO3, these changes in density are due to different molar mass of constituents. The introduction of MoO3 and WO3 in lithium tellurite glasses enhances the glass transition temperature and thermal stability. Raman studies revealed that the network structure of the glasses consists of TeO4 and TeO3/TeO3+1 units. The present glass system have potential application for development of laser materials, optical waveguides, and crystal-free optical fibres.
制备了碲酸锂玻璃,并用密度、x射线衍射(XRD)、热分析、紫外可见光谱和拉曼光谱对其进行了表征。在碲酸锂玻璃中,随着MoO3的加入,玻璃的密度降低,而随着WO3的加入,玻璃的密度增加,这些变化是由于组分的摩尔质量不同造成的。在碲酸锂玻璃中引入MoO3和WO3,提高了玻璃化转变温度和热稳定性。拉曼研究表明,玻璃的网状结构由TeO4和TeO3/TeO3+1单元组成。该体系在激光材料、光波导、无晶体光纤等方面具有潜在的应用前景。制备了碲酸锂玻璃,并用密度、x射线衍射(XRD)、热分析、紫外可见光谱和拉曼光谱对其进行了表征。在碲酸锂玻璃中,随着MoO3的加入,玻璃的密度降低,而随着WO3的加入,玻璃的密度增加,这些变化是由于组分的摩尔质量不同造成的。在碲酸锂玻璃中引入MoO3和WO3,提高了玻璃化转变温度和热稳定性。拉曼研究表明,玻璃的网状结构由TeO4和TeO3/TeO3+1单元组成。该体系在激光材料、光波导、无晶体光纤等方面具有潜在的应用前景。
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引用次数: 2
One-pot synthesis of Cu-based metal-organic frameworks for environmental applications 一锅法合成环境用铜基金属有机骨架
Pub Date : 2019-07-12 DOI: 10.1063/1.5113041
Monika Nehra, D. Kedia, N. Dilbaghi, A. A. Hassan, Sandeep Kumar
Metal-organic frameworks (MOFs) are the coordination polymers of particular interest for targeted drug delivery in a controlled manner. MOFs have several interesting properties in terms of high por...
金属有机框架(mof)是一种特别感兴趣的配位聚合物,用于以受控的方式靶向药物递送。mof有几个有趣的特性,在高…
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引用次数: 2
Facile synthesis of Ag-Au nano-alloys and their catalytic applications 银金纳米合金的快速合成及其催化应用
Pub Date : 2019-07-12 DOI: 10.1063/1.5112972
M. B. Newmai, A. Dahiya, P. Kumar
Prior reduction of Ag+ to Ag° in the NVP dispersed in the solvent, dimethyl formamide (DMF) complex and the subsequent addition of HAuCl4 to the mixture results in the galvanic replacement reaction, wherein the Ag nanoparticles acts as a template site for effective reduction of Au3+ to Au° augmented through NVP, thereby resulting in pure single phase Ag-Au alloy nanoparticles. Single sharp LSPR peaks for various fractional mole compositions of Ag and Au were observed between 435 to 515 nm, with the absorption peak blue shifting linearly with increase in the mole fraction of Au. The structural morphology of the alloy nanostructure was confirmed using TEM. The catalytic properties of the as-synthesized Ag-Au alloy nanoparticles were studied using the reduction process of 4-Nitro-Aniline (NA) to p-phenylenediamine (p-PDA) using NaBH4. It was found that the reduction rate of 4-NitroAniline varies with the mole composition of Ag and Au in the alloy nanostructure.
在分散于溶剂、二甲基甲酰胺(DMF)络合物中的NVP中,先将Ag+还原为Ag°,然后在混合物中加入HAuCl4,发生电取代反应,其中Ag纳米粒子作为模板位点,通过NVP将Au3+有效还原为增强的Au°,从而得到纯单相Ag-Au合金纳米粒子。在435 ~ 515 nm范围内,Ag和Au的不同摩尔分数组成的LSPR峰呈单一尖锐峰,吸收峰随Au摩尔分数的增加呈线性蓝移。利用透射电镜对合金的纳米组织形貌进行了表征。采用NaBH4将4-硝基苯胺(NA)还原为对苯二胺(p-PDA),研究了所合成的银金合金纳米颗粒的催化性能。发现4-硝基苯胺的还原速率随合金纳米结构中Ag和Au的摩尔组成而变化。
{"title":"Facile synthesis of Ag-Au nano-alloys and their catalytic applications","authors":"M. B. Newmai, A. Dahiya, P. Kumar","doi":"10.1063/1.5112972","DOIUrl":"https://doi.org/10.1063/1.5112972","url":null,"abstract":"Prior reduction of Ag+ to Ag° in the NVP dispersed in the solvent, dimethyl formamide (DMF) complex and the subsequent addition of HAuCl4 to the mixture results in the galvanic replacement reaction, wherein the Ag nanoparticles acts as a template site for effective reduction of Au3+ to Au° augmented through NVP, thereby resulting in pure single phase Ag-Au alloy nanoparticles. Single sharp LSPR peaks for various fractional mole compositions of Ag and Au were observed between 435 to 515 nm, with the absorption peak blue shifting linearly with increase in the mole fraction of Au. The structural morphology of the alloy nanostructure was confirmed using TEM. The catalytic properties of the as-synthesized Ag-Au alloy nanoparticles were studied using the reduction process of 4-Nitro-Aniline (NA) to p-phenylenediamine (p-PDA) using NaBH4. It was found that the reduction rate of 4-NitroAniline varies with the mole composition of Ag and Au in the alloy nanostructure.","PeriodicalId":10874,"journal":{"name":"DAE SOLID STATE PHYSICS SYMPOSIUM 2018","volume":"116 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83473887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
期刊
DAE SOLID STATE PHYSICS SYMPOSIUM 2018
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