Characterization and Application of Nanomaterials最新文献_第7页

A theoretical study of (9, 0) Singlewalled Carbon Nanotubes using quantum mechanical techniques 利用量子力学技术对(9,0)单壁碳纳米管的理论研究

Characterization and Application of Nanomaterials Pub Date : 2018-09-05 DOI: 10.24294/CAN.V0I0.996

D. Sharma, N. Jaggi

{"title":"A theoretical study of (9, 0) Singlewalled Carbon Nanotubes using quantum mechanical techniques","authors":"D. Sharma, N. Jaggi","doi":"10.24294/CAN.V0I0.996","DOIUrl":"https://doi.org/10.24294/CAN.V0I0.996","url":null,"abstract":"First principles simulation studies using the density functional theory have been performed on (9, 0) Zigzag Singlewalled Carbon Nanotube (SWCNT) to investigate its electronic, optical and thermodynamic properties using CASTEP (Cambridge Sequential Total Energy Package) and DFTB (Density Functional based Tight Binding) modules of the Material Studio Software version 7.0. Various functionals and sub-functionals available in the CASTEP Module (using Pulay Density Mixing treatment of electrons) and various eigen-solvers and smearing schemes available in the DFTB module (using smart algorithm) have been tried out to chalk out the electronic structure. The analytically deduced values of the band gap obtained were compared with the experimentally determined value reported in the literature. By comparison, combination of Anderson smearing scheme and standard diaogonalizer produced best results in DFTB module while in the CASTEP module, GGA (General Gradient approximation) functional with RPBE (Revised-perdew-Burke-Ernzerh) as Sub-functional was found to be the most consistent. These optimized parameters were then used to determine various electronic, optical and thermodynamic properties of (9, 0) Singlewalled Nanotube. (9, 0) Singlewalled Nanotube, which is extensively being used for sensing NH3, CH4 & NO2, has been picked up in particular as it is reported to exhibit a finite energy band gap in contrast to its expected metallic nature. The study is of utmost significance as it not only probes and validates the simulation route for predicting suitable properties of nanomaterials but also throws light on the comparative efficacy of the different approximation and rationalization quantum mechanical techniques used in simulation studies.","PeriodicalId":331072,"journal":{"name":"Characterization and Application of Nanomaterials","volume":"3 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123791147","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

A review on metal-organic framework: synthesis, properties and application 金属有机骨架的合成、性能及应用综述

Characterization and Application of Nanomaterials Pub Date : 2018-09-05 DOI: 10.24294/can.v2i2.551

Sanju Soni 1, Parmendra Kumar Bajpai 2, Charu Arora 2

引用次数: 27

Effect of heating and resistance on emission properties of carbon nanotubes 加热和电阻对碳纳米管发射性能的影响

Characterization and Application of Nanomaterials Pub Date : 2018-09-05 DOI: 10.24294/can.v2i2.567

Sergey V. Bulyarskiy 1, Alexander A. Dudin 1, Alexander V. Lakalin 1, Andrey P. Orlov 1, Alexander A. Pavlov 1, Roman M. Ryazanov 2, Artemiy A. Shamanaev 2

{"title":"Effect of heating and resistance on emission properties of carbon nanotubes","authors":"Sergey V. Bulyarskiy 1, Alexander A. Dudin 1, Alexander V. Lakalin 1, Andrey P. Orlov 1, Alexander A. Pavlov 1, Roman M. Ryazanov 2, Artemiy A. Shamanaev 2","doi":"10.24294/can.v2i2.567","DOIUrl":"https://doi.org/10.24294/can.v2i2.567","url":null,"abstract":"We have studied the effect of the series resistance on the heating of the cathode, which is based on carbon nanotubes and serves to realize the field emission of electrons into the vacuum. The experiment was performed with the single multi-walled carbon nanotube (MCNT) that was separated from the array grown by CVD method with thin-film Ni-Ti catalyst (nickel 4 nm / Ti 10 nm). The heating of the cathode leads to the appearance of a current of the thermionic emission. The experimental voltage current characteristic exhibited the negative resistance region caused by thermal field emission. This current increases strongly with increasing voltage and contributes to the degradation of the cold emitter. The calculation of the temperature of the end of the cathode is made taking into account the effect of the phenomenon that warms up and cools the cathode. We have developed a method for processing of the emission volt-ampere characteristics of a cathode, which relies on a numerical calculation of the field emission current and the comparison of these calculations with experiments. The model of the volt-ampere characteristic takes into account the CNT’s geometry, properties, its contact with the catalyst; heating and simultaneous implementation of the thermionic and field emission. The calculation made it possible to determine a number of important parameters, among which the voltage and current of the beginning of thermionic emission, the temperature distribution along the cathode, the resistance of the nanotube. The phenomenon of thermionic emission from CNT’s was investigated experimentally and theoretically. The conditions of this type emission occurrence were defined. The results of the study could form the basis of theory of CNT emitter’s degradation.","PeriodicalId":331072,"journal":{"name":"Characterization and Application of Nanomaterials","volume":"20 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128181871","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

Coal combustion residues characterization using scanning electron microscopy & energy dispersive x-ray (sem-edxa) analysis 使用扫描电子显微镜和能量色散x射线(sem-edxa)分析表征煤燃烧残留物

Characterization and Application of Nanomaterials Pub Date : 2018-09-05 DOI: 10.24294/can.v2i2.595

Charu Arora 1, Ritesh Kumar 2, Sadanand Sharma 2, Ajit Kumar 2

引用次数: 0

Interaction of light with lead halide perovskites: A review 光与卤化铅钙钛矿的相互作用研究进展

Characterization and Application of Nanomaterials Pub Date : 2018-09-05 DOI: 10.24294/can.v1i4.813

Zhiya Dang 1, Duc Anh Dinh 1

{"title":"Interaction of light with lead halide perovskites: A review","authors":"Zhiya Dang 1, Duc Anh Dinh 1","doi":"10.24294/can.v1i4.813","DOIUrl":"https://doi.org/10.24294/can.v1i4.813","url":null,"abstract":"Lead halide perovskites are the new rising generation of semiconductor materials due to theirunique optical and electrical properties. The investigation of the interaction of halide perovskites and light is a key issue not only for understanding theirphotophysicsbut also for practical applications. Hence, tremendous efforts have been devoted to this topic andbrunch into two:(i)decompositionof the halide perovskites thin films under light illumination and(ii)influence of light soaking on their photoluminescence (PL) properties. In this review, we for the first time thoroughly compare the illumination conditions and the sample environment to correlate the PL changes and decomposition of perovskite under light illumination. Inthe case of vacuum and dry nitrogen, PL of the halide perovskite ( PbI3–xClx, PbBr3–xClx, MAPbI3) thin films decreases due to the defects induced by light illumination, and under high excitations the thin film even decomposes. In thepresence of oxygen or moisture,light induces the PL enhancement of halide perovskite (MAPbI3) thin films at low light illumination, while increasing the excitationcauses the PL to quench and perovskite thin film to decompose. In the case of mixed halide perovskite (MAPb(BrxI1-x)3) light inducesreversible segregation of Br domains and I domains. ","PeriodicalId":331072,"journal":{"name":"Characterization and Application of Nanomaterials","volume":"194 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115646442","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

Effect of heating and resistance on emission properties of carbon nanotubes 加热和电阻对碳纳米管发射性能的影响

Characterization and Application of Nanomaterials Pub Date : 2018-09-05 DOI: 10.24294/CAN.V0I0.567

S. V. Bulyarskiy, A. Dudin, A. V. Lakalin, Andrey P. Orlov, A. Pavlov, R. Ryazanov, A. Shamanaev

{"title":"Effect of heating and resistance on emission properties of carbon nanotubes","authors":"S. V. Bulyarskiy, A. Dudin, A. V. Lakalin, Andrey P. Orlov, A. Pavlov, R. Ryazanov, A. Shamanaev","doi":"10.24294/CAN.V0I0.567","DOIUrl":"https://doi.org/10.24294/CAN.V0I0.567","url":null,"abstract":"We have studied the effect of the series resistance on the heating of the cathode, which is based on carbon nanotubes and serves to realize the field emission of electrons into the vacuum. The experiment was performed with the single multi-walled carbon nanotube (MCNT) that was separated from the array grown by CVD method with thin-film Ni-Ti catalyst (nickel 4 nm/Ti 10 nm). The heating of the cathode leads to the appearance of a current of the thermionic emission. The experimental voltage current characteristic exhibited the negative resistance region caused by thermal field emission. This current increases strongly with increasing voltage and contributes to the degradation of the cold emitter. The calculation of the temperature of the end of the cathode is made taking into account the effect of the phenomenon that warms up and cools the cathode. We have developed a method for processing of the emission volt-ampere characteristics of a cathode, which relies on a numerical calculation of the field emission current and the comparison of these calculations with experiments. The model of the volt-ampere characteristic takes into account the CNT’s geometry, properties, its contact with the catalyst, heating and simultaneous implementation of the thermionic and field emission. The calculation made it possible to determine a number of important parameters, including the voltage and current of the beginning of thermionic emission, the temperature distribution along the cathode and the resistance of the nanotube. The phenomenon of thermionic emission from CNTs was investigated experimentally and theoretically. The conditions of this type emission occurrence were defined. The results of the study could form the basis of theory of CNT emitter’s degradation.","PeriodicalId":331072,"journal":{"name":"Characterization and Application of Nanomaterials","volume":"52 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126289453","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: 3

The variations of hydrophilic self-cleaning properties and refractive index dependence in the ZrO2 thin films by gamma irradiation γ辐照对ZrO2薄膜亲水性自清洁性能及折射率依赖性的影响

Characterization and Application of Nanomaterials Pub Date : 2018-09-05 DOI: 10.24294/CAN.V1I4.627

D. Abayli, N. Baydogan

{"title":"The variations of hydrophilic self-cleaning properties and refractive index dependence in the ZrO2 thin films by gamma irradiation","authors":"D. Abayli, N. Baydogan","doi":"10.24294/CAN.V1I4.627","DOIUrl":"https://doi.org/10.24294/CAN.V1I4.627","url":null,"abstract":"ZrO2 thin film samples were produced by the sol-gel dip coating method. Four different absorbed dose levels (such as ~ 0.4, 0.7, 1.2 and 2.7 Gray-Gy) were applied to ZrO2 thin films. Hence the absorbed dose of ZrO2 thin film was examined as physical dose quantity representing the mean energy imparted to the thin film per unit mass by gamma radiation. Modification of the grain size was performed sensitively by the application of the absorbed dose to the ZrO2 thin film.Therefore the grain size reached from ~50 nm to 87 nm at the irradiated ZrO2 thin film. The relationship of the grain size, the contact angle, and the refractive index of the irradiated ZrO2 thin film was investigated as being an important technical concern. The irradiation process was performed in a hot cell by using a certified solid gamma ray source with 0.018021 Ci as an alternative technique to minimize the utilization of extra toxicological chemical solution.Antireflection and hydrophilic properties of the irradiated ZrO2 thin film were slightly improved by the modification of the grain size. The details on the optical and structural properties of the ZrO2 thin film were examined to obtain theoptimum high refractive index, self-cleaning and antireflectiveproperties.","PeriodicalId":331072,"journal":{"name":"Characterization and Application of Nanomaterials","volume":"10 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"128039440","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: 2

Preparation and characterization of magnetic graphene oxide nanocomposite (GO-Fe3O4) for removal of strontium and cesium from aqueous solutions 磁性氧化石墨烯纳米复合材料(GO-Fe3O4)去除水中锶和铯的制备和表征

Characterization and Application of Nanomaterials Pub Date : 2018-09-05 DOI: 10.18282/CMR.V7I1.89

S. Yusan

引用次数: 7

From atomic-scale interfaces - to new nanomaterials 从原子尺度的界面到新的纳米材料

Characterization and Application of Nanomaterials Pub Date : 2018-09-05 DOI: 10.24294/can.v1i4.835

N. Plusnin

引用次数: 0

Mesoscale computational prediction of lightweight, thermally conductive polymer nanocomposites containing graphene-wrapped hollow particle fillers 含石墨烯包裹中空颗粒填料的轻质导热聚合物纳米复合材料的中尺度计算预测

Characterization and Application of Nanomaterials Pub Date : 2018-08-30 DOI: 10.18282/CMR.V7I1.111

Jianjun Wang, Zhonghui Shen, Wenying Zhou, Yang Shen, C. Nan, Qing Wang, Long-Qing Chen

{"title":"Mesoscale computational prediction of lightweight, thermally conductive polymer nanocomposites containing graphene-wrapped hollow particle fillers","authors":"Jianjun Wang, Zhonghui Shen, Wenying Zhou, Yang Shen, C. Nan, Qing Wang, Long-Qing Chen","doi":"10.18282/CMR.V7I1.111","DOIUrl":"https://doi.org/10.18282/CMR.V7I1.111","url":null,"abstract":"Heat removal has become an increasingly crucial issue for microelectronic chips due to increasingly high speed and high performance. One solution is to increase the thermal conductivity of the corresponding dielectrics. However, traditional approach to adding solid heat conductive nanoparticles to polymer dielectrics led to a significant weight increase. Here we propose a dielectric polymer filled with heat conductive hollow nanoparticles to mitigate the weight gain. Our mesoscale simulation of heat conduction through this dielectric polymer composite microstructure using the phase-field spectral iterative perturbation method demonstrates the simultaneous achievement of enhanced effective thermal conductivity and the low density. It is shown that additional heat conductivity enhancement can be achieved by wrapping the hollow nanoparticles with graphene layers. The underlying mesoscale mechanism of such a microstructure design and the quantitative effect of interfacial thermal resistance will be discussed. This work is expected to stimulate future efforts to develop light-weight thermal conductive polymer nanocomposites.","PeriodicalId":331072,"journal":{"name":"Characterization and Application of Nanomaterials","volume":"15 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127466396","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