E. Keita, B. Ndiaye, M. Dia, Y. Tabar, C. Sene, B. Mbow
In this work we study the spectral responses of thin films solar cells of heterojunctions based on CuInSe2 and CuInS2. Four-layer structures are studied according to the n+n/pp+ model. First we consider the structure ZnO(n+)/CdS(n)/CuInS2(p)/CuInSe2(p+) where CuInS2 represent the base and CuInSe2 the substrate in this model. Secondly we consider the structure ZnO(n+)/CdS(n)/CuInSe2(p)/ CuInS2(p+), for this model CuInSe2 represent the base and CuInS2 the substrate. ZnO and CdS are used as window layers in each structure. Using the continuity equation that governs transport of carriers in semiconductor material, models for calculating spectral responses are proposed for heterojunctions type n+n/pp+ based on CuInSe2 and CuInS2. For each structure we have presented the energy band diagram based on the Anderson model [1] and determined the expression of the photocurrent. The theoretical results obtained allow to compare the performances of these two models by optimizing the different parameters of each structure (base thickness, diffusion length, recombination velocity at the interface, etc.) in order to improve the overall efficiency of the collection of carriers.
{"title":"Theoretical study of spectral responses of heterojunctions based on CuInSe2 and CuInS2","authors":"E. Keita, B. Ndiaye, M. Dia, Y. Tabar, C. Sene, B. Mbow","doi":"10.23647/ca.md202005","DOIUrl":"https://doi.org/10.23647/ca.md202005","url":null,"abstract":"In this work we study the spectral responses of thin films solar cells of heterojunctions based on CuInSe2 and CuInS2. Four-layer structures are studied according to the n+n/pp+ model. First we consider the structure ZnO(n+)/CdS(n)/CuInS2(p)/CuInSe2(p+) where CuInS2 represent the base and CuInSe2 the substrate in this model. Secondly we consider the structure ZnO(n+)/CdS(n)/CuInSe2(p)/ CuInS2(p+), for this model CuInSe2 represent the base and CuInS2 the substrate. ZnO and CdS are used as window layers in each structure. Using the continuity equation that governs transport of carriers in semiconductor material, models for calculating spectral responses are proposed for heterojunctions type n+n/pp+ based on CuInSe2 and CuInS2. For each structure we have presented the energy band diagram based on the Anderson model [1] and determined the expression of the photocurrent. The theoretical results obtained allow to compare the performances of these two models by optimizing the different parameters of each structure (base thickness, diffusion length, recombination velocity at the interface, etc.) in order to improve the overall efficiency of the collection of carriers.","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83116651","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}
M. Bouachrine, R. Kacimi, M. Chemek, A. Azaid, M. Bennani, L. Bejjit
In this paper, wepresent new organics chemical structures of pendant phenyl ester-substituted thiophene and benzothiadiazole based copolymers leading to donor (D)-acceptor (A) structure-types. Geometrics and photo-physical properties of the studied chemical structure are exploited in the further ground and excited-state. Theoretically, using the DFT and TD-DFT quantum chemical calculation implanted in Gaussian09 software, geometrical and electronic parameters such as the energy of HOMO and LUMO level, the Egap= EHomo- E Lumo and focused electronic parameters of the molecules were determined. It is obvious that the studied molecules show good photovoltaic properties. Thus, studied chemical structures are blended with acceptor compounds such as fullerene and PCBM derivatives in bulk-heterojunction solar cell. Quantic chemical calculations show that the studied compound present good electronic, optical and photovoltaic properties and can be used as potential electron donors in organic solar cells Heterojunction (BHJ).
本文介绍了悬垂型苯基酯取代噻吩和苯并噻唑基共聚物的新的有机化学结构，导致供体(D)-受体(A)结构类型。所研究的化学结构的几何和光物理性质在进一步的基态和激发态被开发。理论上，利用植入Gaussian09软件中的DFT和TD-DFT量子化学计算，确定了分子的HOMO能级和LUMO能级能量、Egap= EHomo- E LUMO能级和聚焦电子参数等几何参数和电子参数。显然，所研究的分子具有良好的光伏性能。因此，所研究的化学结构与受体化合物如富勒烯和多氯联苯衍生物在体异质结太阳能电池中混合。定量化学计算表明，所研究的化合物具有良好的电子、光学和光电性能，可作为有机太阳能电池异质结(BHJ)的潜在电子给体。
{"title":"Organic materials based on thiophene and benzothiadiazole for organic solar cells. Computational investigations","authors":"M. Bouachrine, R. Kacimi, M. Chemek, A. Azaid, M. Bennani, L. Bejjit","doi":"10.23647/ca.md20202804","DOIUrl":"https://doi.org/10.23647/ca.md20202804","url":null,"abstract":"In this paper, wepresent new organics chemical structures of pendant phenyl ester-substituted thiophene and benzothiadiazole based copolymers leading to donor (D)-acceptor (A) structure-types. Geometrics and photo-physical properties of the studied chemical structure are exploited in the further ground and excited-state. Theoretically, using the DFT and TD-DFT quantum chemical calculation implanted in Gaussian09 software, geometrical and electronic parameters such as the energy of HOMO and LUMO level, the Egap= EHomo- E Lumo and focused electronic parameters of the molecules were determined. It is obvious that the studied molecules show good photovoltaic properties. Thus, studied chemical structures are blended with acceptor compounds such as fullerene and PCBM derivatives in bulk-heterojunction solar cell. Quantic chemical calculations show that the studied compound present good electronic, optical and photovoltaic properties and can be used as potential electron donors in organic solar cells Heterojunction (BHJ).","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2020-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75945906","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}
This conference volume contains the abstracts of contributions presented at ISFP9, dedicated to the following aspects of ferroelastic physics: Phase Transitions; Lattice Dynamics and Soft Modes; - Crystal Growth, Structure and Physical Properties; Heterogeneous; Glassy and Incommensurate Systems; Domains, Domain Boundaries and Their Dynamics; Multiferroics and Miscellaneous. The volume contains about 90 abstracts on different subjects.
{"title":"The Ninth International Seminar on Ferroelastic Physics. Abstracts Book","authors":"L. Korotkov","doi":"10.23647/ca.md20191506","DOIUrl":"https://doi.org/10.23647/ca.md20191506","url":null,"abstract":"This conference volume contains the abstracts of contributions presented at ISFP9, dedicated to the following aspects of ferroelastic physics: Phase Transitions; Lattice Dynamics and Soft Modes; - Crystal Growth, Structure and Physical Properties; Heterogeneous; Glassy and Incommensurate Systems; Domains, Domain Boundaries and Their Dynamics; Multiferroics and Miscellaneous. The volume contains about 90 abstracts on different subjects.","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80791650","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}
M. Kabe, Y. Laré, L. Ottaviani, M. Pasquinelli, D. Barakel
Simulations of the emitter layer in 3C-SiC heterostructure solar cells were performed by means of SCAPS to model the optimal thickness and predict the influence on cell’s behaviour. Then, the cells have been elaborated by chemical vapor deposition and characterized. The opto-electrical measurements showed an improvement of the absorption of photons in the short wavelengths thanks to the thin layer of the emitter, and the non-degradation in bulk of the base cell. On the front side, the using of Ti/Au contacts also leads to an improvement in the absorption of photons thanks to the low series resistance.
{"title":"Simulation and optimization of the nSiC layer’s thickness in a nSiC/Si photovoltaic cell","authors":"M. Kabe, Y. Laré, L. Ottaviani, M. Pasquinelli, D. Barakel","doi":"10.23647/CA.MD20193103","DOIUrl":"https://doi.org/10.23647/CA.MD20193103","url":null,"abstract":"Simulations of the emitter layer in 3C-SiC heterostructure solar cells were performed by means of SCAPS to model the optimal thickness and predict the influence on cell’s behaviour. Then, the cells have been elaborated by chemical vapor deposition and characterized. The opto-electrical measurements showed an improvement of the absorption of photons in the short wavelengths thanks to the thin layer of the emitter, and the non-degradation in bulk of the base cell. On the front side, the using of Ti/Au contacts also leads to an improvement in the absorption of photons thanks to the low series resistance.","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87028554","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}
This paper presents a model for short-term forecasting of solar potential on a horizontal surface. This study is carried out in to the context of valuing of energy production from photovoltaic solar sources in the Sahelian zone. In this study, Autoregressive Moving Average (ARMA) process is applied to predict global solar potential upon 24 hours ahead. The ARMA (p, q) is based on finding optimum parameters p and q to better fit considered variable (sunshine). Data used for the model calibrating are measured at the station of Ecole Supérieure Polytechnique of Dakar. Records are hourly and range from October 2016 to September 2017. The choice of this model is justified by its robustness and its applicability on several scales through the world. Simulation is done using the RStudio software. The Akaike information criterion shows that ARMA (29, 0) gives the best representation of the data. We then applied a white noise test to validate the process. It confirms that the noise is of white type with zero mean, variance of 1.252 and P-value of about 26% for a significant level of 5%.Verification of the model is doneby analyzing some statistical performance criteria such the RMSE =0.629 (root mean squared error), the R² = 0.963 (Coefficient of determination), the MAE=0.528 (Mean Absolut Error) and the MBE=0.012 (Mean BiasError). Statistics criteria show that the ARMA (29,0) is reliable; then, can help to improve planning of photovoltaic solar power plants production in the Sahelian zone.
{"title":"ARMA model for short-term forecasting of solar potential: application to a horizontal surface of Dakar site","authors":"A. Mbaye","doi":"10.23647/ca.md20191103","DOIUrl":"https://doi.org/10.23647/ca.md20191103","url":null,"abstract":"This paper presents a model for short-term forecasting of solar potential on a horizontal surface. This study is carried out in to the context of valuing of energy production from photovoltaic solar sources in the Sahelian zone. In this study, Autoregressive Moving Average (ARMA) process is applied to predict global solar potential upon 24 hours ahead. The ARMA (p, q) is based on finding optimum parameters p and q to better fit considered variable (sunshine). Data used for the model calibrating are measured at the station of Ecole Supérieure Polytechnique of Dakar. Records are hourly and range from October 2016 to September 2017. The choice of this model is justified by its robustness and its applicability on several scales through the world. Simulation is done using the RStudio software. The Akaike information criterion shows that ARMA (29, 0) gives the best representation of the data. We then applied a white noise test to validate the process. It confirms that the noise is of white type with zero mean, variance of 1.252 and P-value of about 26% for a significant level of 5%.Verification of the model is doneby analyzing some statistical performance criteria such the RMSE =0.629 (root mean squared error), the R² = 0.963 (Coefficient of determination), the MAE=0.528 (Mean Absolut Error) and the MBE=0.012 (Mean BiasError). Statistics criteria show that the ARMA (29,0) is reliable; then, can help to improve planning of photovoltaic solar power plants production in the Sahelian zone.","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77913795","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}
In this work, undoped and Mn doped Pb(Zn1/3Nb2/3)O3-4.5PbTiO3 nanoparticles were dispersed in biopolymer and in mixed biopolymer + pentacene as active layer and deposited by spin coating on ITO glasses. Morphological, optical and electrical properties of these layers were investigated. SEM images show the superposition of different deposited layers ITO/TiO2/PZN-PT-np-biopolymer on glass substrate with thicknesses of 1.600 μm, 1.505 μm and 1.765 μm respectively. The absorbance value in UV visible for pentacene layer increases from 75 % to 99 % while the transmittance for ITO glasses diminishes from more than 80 % to 2 %. Optical gaps of ITO, TiO2, PZN-PT nanoparticles are respectively 3.75 eV, 3.2 eV and 3.15 eV. Pentacene deposition reduced the gap to 1.65 eV for undoped sample and 1.60 eV for the doped ones. Intermediate gaps (2.3 eV and 2.6 eV for undoped sample and 2.15 eV and 2.7 eV for doped sample) were observed. Photoluminescence performed between 450 nm and 750 nm confirms « these intermediate gaps ».
{"title":"Optical properties of PZN-PT nanoparticles thin layer on ITO glass for photovoltaic application","authors":"R. Ndioukane, D. Kobor, L. Motte, J. Solard","doi":"10.23647/ca.md20191502","DOIUrl":"https://doi.org/10.23647/ca.md20191502","url":null,"abstract":"In this work, undoped and Mn doped Pb(Zn1/3Nb2/3)O3-4.5PbTiO3 nanoparticles were dispersed in biopolymer and in mixed biopolymer + pentacene as active layer and deposited by spin coating on ITO glasses. Morphological, optical and electrical properties of these layers were investigated. SEM images show the superposition of different deposited layers ITO/TiO2/PZN-PT-np-biopolymer on glass substrate with thicknesses of 1.600 μm, 1.505 μm and 1.765 μm respectively. The absorbance value in UV visible for pentacene layer increases from 75 % to 99 % while the transmittance for ITO glasses diminishes from more than 80 % to 2 %. Optical gaps of ITO, TiO2, PZN-PT nanoparticles are respectively 3.75 eV, 3.2 eV and 3.15 eV. Pentacene deposition reduced the gap to 1.65 eV for undoped sample and 1.60 eV for the doped ones. Intermediate gaps (2.3 eV and 2.6 eV for undoped sample and 2.15 eV and 2.7 eV for doped sample) were observed. Photoluminescence performed between 450 nm and 750 nm confirms « these intermediate gaps ».","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78730660","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}
B. Dieng, M. Beye, M. Toure, D. Diouf, D. Kobor, A. S. Maiga
In this work, recent advances in various silicon nanostructures used in crystalline silicon solar cells for antireflection and light trapping are reviewed. Simulations and optimizations are also performed for the most relevant of these nanostructures. The results showed that nanocones and nanoparaboloids outperform nanopillars and give almost the same antireflective performance, reducing the average reflectance of the crystalline silicon surface below 2% in the wavelength range 300-1100 nm and under normal incidence. This reflectance is also found to stay below 4% for angles of incidence lower than 60° and for the averaged s and p light polarization. As a result, short-circuit current densities of 41.62 and 41.96 mA/cm², can be expected for a silicon solar cell decorated with these two nanostructures, respectively. Finally, we described the formation of silicon nanocones via nanowires by metal assisted chemical etching.
{"title":"Design and optimization of silicon nanostructures","authors":"B. Dieng, M. Beye, M. Toure, D. Diouf, D. Kobor, A. S. Maiga","doi":"10.23647/ca.md20190129","DOIUrl":"https://doi.org/10.23647/ca.md20190129","url":null,"abstract":"In this work, recent advances in various silicon nanostructures used in crystalline silicon solar cells for antireflection and light trapping are reviewed. Simulations and optimizations are also performed for the most relevant of these nanostructures. The results showed that nanocones and nanoparaboloids outperform nanopillars and give almost the same antireflective performance, reducing the average reflectance of the crystalline silicon surface below 2% in the wavelength range 300-1100 nm and under normal incidence. This reflectance is also found to stay below 4% for angles of incidence lower than 60° and for the averaged s and p light polarization. As a result, short-circuit current densities of 41.62 and 41.96 mA/cm², can be expected for a silicon solar cell decorated with these two nanostructures, respectively. Finally, we described the formation of silicon nanocones via nanowires by metal assisted chemical etching.","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72995915","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}
Ahmed, Diene, Menny, Sidi Sidibba, Ndiaye, E. Bah, Bouhamady
The purpose of this work is to evaluate four empirical models developed in literature such as Ghouard, Perrin Brichambaut, Bird and Hulstrom and Dependent model of the Link trouble factor. The validation of these different theoretical models was carried out using solar global radiation data collected on the Cheikh Zayed Nouakchott power plant. These measurements were carried out at a time step of 5 minutes during the period of one year. (April 1, 2015 to March 31, 2016). The results show that the Ghouard model presents notable performances compared to the other models, with a determination coefficient of 96.2%. This validation also shows that the solar radiation measured and that estimated by the different models have the same pace and have good performance with a coefficient of determination greater than 93%. The available solar potential estimation was carried out using the actual measurements collected on the Cheikh Zayed plant. The results obtained showed that the available solar potential is 5 kWh / m² / d.
{"title":"Characterization and modeling of solar radiation on the ground, application to the estimate of solar potential available on the coast of Nouakchott","authors":"Ahmed, Diene, Menny, Sidi Sidibba, Ndiaye, E. Bah, Bouhamady","doi":"10.23647/ca.md20191702","DOIUrl":"https://doi.org/10.23647/ca.md20191702","url":null,"abstract":"The purpose of this work is to evaluate four empirical models developed in literature such as Ghouard, Perrin Brichambaut, Bird and Hulstrom and Dependent model of the Link trouble factor. The validation of these different theoretical models was carried out using solar global radiation data collected on the Cheikh Zayed Nouakchott power plant. These measurements were carried out at a time step of 5 minutes during the period of one year. (April 1, 2015 to March 31, 2016). The results show that the Ghouard model presents notable performances compared to the other models, with a determination coefficient of 96.2%. This validation also shows that the solar radiation measured and that estimated by the different models have the same pace and have good performance with a coefficient of determination greater than 93%. The available solar potential estimation was carried out using the actual measurements collected on the Cheikh Zayed plant. The results obtained showed that the available solar potential is 5 kWh / m² / d.","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79210488","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}
E. Akoro, A. S. Maiga, G. J. Tevi, M. E. Faye, M. Sene
This paper is devoted to the design and simulation of an automatic data acquisition system of solar module characteristics. The system is essentially composed of three parts. The first part is devoted to the acquisition of the electrical parameters of the solar module (Current, Voltage and Power) in automatic ways using an automatic variable load. The second part is focused on devices which measure the ambient temperature and solar irradiation. In the last part, we study the design of an acquisition interface and a database for data saving. The results of simulations validate the correct operation of the measuring bench.
{"title":"Modelling and simulation of an automatic solar module characteristics data acquisition system","authors":"E. Akoro, A. S. Maiga, G. J. Tevi, M. E. Faye, M. Sene","doi":"10.23647/ca.md20191602","DOIUrl":"https://doi.org/10.23647/ca.md20191602","url":null,"abstract":"This paper is devoted to the design and simulation of an automatic data acquisition system of solar module characteristics. The system is essentially composed of three parts. The first part is devoted to the acquisition of the electrical parameters of the solar module (Current, Voltage and Power) in automatic ways using an automatic variable load. The second part is focused on devices which measure the ambient temperature and solar irradiation. In the last part, we study the design of an acquisition interface and a database for data saving. The results of simulations validate the correct operation of the measuring bench.","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2019-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82997888","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}
The structure of boron–nitride nanotubes (BNNTs) is very similar to that of CNTs, and they exhibit many similar physical and chemical properties. In particular, a single walled boron nitride nanotube (BNNT) and a single walled carbon nanotube (CNT) have been reported. The spectral moment’s method (SMM) was shown to be a powerful tool for determining vibrational spectra (infrared absorption, Raman scattering and inelastic neutron-scattering spectra) of harmonic systems. This method can be applied to very large systems, whatever the type of atomic forces, the spatial dimension, and structure of the material. The calculations of vibrational properties of BNNT@CNT double-walled hybrid nanostructures are performed in the framework of the force constants model, using the spectral moment's method (SMM). A Lennard–Jones potential is used to describe the van der Waals in-teractions between inner and outer tubes in hybrid systems. The calculation of the BNNT@CNT Raman active modes as a function of the diameter and chirality of the inner and outer tubes allows us to derive the diameter dependence of the wave number of the breathing-like modes, intermediate-like modes and tangential-like modes in a large diameter range. These predictions are useful to interpret the experimental data.
{"title":"Raman active modes of single-wall boron nitride nanotubes inside carbon nanotubes","authors":"A. Rahmani","doi":"10.23647/ca.md20182110","DOIUrl":"https://doi.org/10.23647/ca.md20182110","url":null,"abstract":"The structure of boron–nitride nanotubes (BNNTs) is very similar to that of CNTs, and they exhibit many similar physical and chemical properties. In particular, a single walled boron nitride nanotube (BNNT) and a single walled carbon nanotube (CNT) have been reported. The spectral moment’s method (SMM) was shown to be a powerful tool for determining vibrational spectra (infrared absorption, Raman scattering and inelastic neutron-scattering spectra) of harmonic systems. This method can be applied to very large systems, whatever the type of atomic forces, the spatial dimension, and structure of the material. The calculations of vibrational properties of BNNT@CNT double-walled hybrid nanostructures are performed in the framework of the force constants model, using the spectral moment's method (SMM). A Lennard–Jones potential is used to describe the van der Waals in-teractions between inner and outer tubes in hybrid systems. The calculation of the BNNT@CNT Raman active modes as a function of the diameter and chirality of the inner and outer tubes allows us to derive the diameter dependence of the wave number of the breathing-like modes, intermediate-like modes and tangential-like modes in a large diameter range. These predictions are useful to interpret the experimental data.","PeriodicalId":19388,"journal":{"name":"OAJ Materials and Devices","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2018-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87061158","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}
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