Pub Date : 2024-05-15DOI: 10.15251/djnb.2024.192.731
B. Aliche, A. Saouli
In this study, we created a multilayer SPR hydrogen sensor that is primarily based on an Ag-nd or Au-nd heterogeneous metal nanolayer. To characterize the response of the suggested structure, we used the Matlab program and the transfer matrix method (TMatrix) in this investigation. We developed a set of sensors (n1/Ag-nd/Pd Or n1/Aund/Pd) with varying densities of metal nanoparticles N = 400[1/µm3 ], 600[1/µm3 ], 800[1/µm3 ], and 1000 [1/µm3 ], respectively, to verify the sensor's performance. They are assessed using a number of conventional standards, including sensitivity and minimum reflectance (Rmin). The sensor with Ag-nd layer and N = 1000 [1/µm3 ] was found to attain the lowest Rmin of 0.04 and the highest sensitivity of S = 7.99[nm] with a maximum resonance wavelength shift of 2.4 [nm]. The suggested SPR hydrogen sensor may detect changes in palladium (Pd)'s optical characteristics and, consequently, leaks of hydrogen gas, according to simulation data.
{"title":"Multilayer SPR hydrogen sensor based on a heterogeneous metal nanolayer","authors":"B. Aliche, A. Saouli","doi":"10.15251/djnb.2024.192.731","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.731","url":null,"abstract":"In this study, we created a multilayer SPR hydrogen sensor that is primarily based on an Ag-nd or Au-nd heterogeneous metal nanolayer. To characterize the response of the suggested structure, we used the Matlab program and the transfer matrix method (TMatrix) in this investigation. We developed a set of sensors (n1/Ag-nd/Pd Or n1/Aund/Pd) with varying densities of metal nanoparticles N = 400[1/µm3 ], 600[1/µm3 ], 800[1/µm3 ], and 1000 [1/µm3 ], respectively, to verify the sensor's performance. They are assessed using a number of conventional standards, including sensitivity and minimum reflectance (Rmin). The sensor with Ag-nd layer and N = 1000 [1/µm3 ] was found to attain the lowest Rmin of 0.04 and the highest sensitivity of S = 7.99[nm] with a maximum resonance wavelength shift of 2.4 [nm]. The suggested SPR hydrogen sensor may detect changes in palladium (Pd)'s optical characteristics and, consequently, leaks of hydrogen gas, according to simulation data.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141128045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-13DOI: 10.15251/djnb.2024.192.629
H. Al-Yousef, B. M. Alotaibi, A. Atta, E. Abdeltwab, M. M. Abdelhamied
In this work, flexible MC/TiO2 polymer composites were successfully manufactured using the solution casting method to enhance their implementations in optical applications. The composite consisting of methylcellulose (MC) with different concentrations of titanium dioxide (TiO2) of 3%, 6%, and 9%. The successful fabrication of MC/TiO2 films were confirmed through XRD characterization. The addition of TiO2 enhances the refractive indices (n0), it increased from 1.014 for MC respectively to 1.025,1.032 and 1.045 for MC/3%TiO2, MC/6%TiO2 and MC/9%TiO2. The MC exhibited an oscillation energy of 6.86 eV, changed respectively to 5.25 eV, 4.96 eV, and 4.59 eV. Furthermore, the dispersion energy values were observed to be 0.18 eV for MC, respectively changed to 0.23 eV, 0.26 eV, and 0.35 eV, for MC/3%TiO2, MC/6%TiO2 and MC/9%TiO2. The data clearly indicates the introduction of TiO2 into the MC polymer results in a modification of its optical characteristics, to be applicable in different fields of optoelectronics.
{"title":"Characterization and optical studies of flexible methylcellulose/titanium dioxide nanomaterials","authors":"H. Al-Yousef, B. M. Alotaibi, A. Atta, E. Abdeltwab, M. M. Abdelhamied","doi":"10.15251/djnb.2024.192.629","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.629","url":null,"abstract":"In this work, flexible MC/TiO2 polymer composites were successfully manufactured using the solution casting method to enhance their implementations in optical applications. The composite consisting of methylcellulose (MC) with different concentrations of titanium dioxide (TiO2) of 3%, 6%, and 9%. The successful fabrication of MC/TiO2 films were confirmed through XRD characterization. The addition of TiO2 enhances the refractive indices (n0), it increased from 1.014 for MC respectively to 1.025,1.032 and 1.045 for MC/3%TiO2, MC/6%TiO2 and MC/9%TiO2. The MC exhibited an oscillation energy of 6.86 eV, changed respectively to 5.25 eV, 4.96 eV, and 4.59 eV. Furthermore, the dispersion energy values were observed to be 0.18 eV for MC, respectively changed to 0.23 eV, 0.26 eV, and 0.35 eV, for MC/3%TiO2, MC/6%TiO2 and MC/9%TiO2. The data clearly indicates the introduction of TiO2 into the MC polymer results in a modification of its optical characteristics, to be applicable in different fields of optoelectronics.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140984286","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-13DOI: 10.15251/djnb.2024.192.605
B. Rakesh, T. Chitdeshwari, S. Maragatham, D. J. S. Sharmila, A. Senthil, N. Chitra
The management and disposal of agro-wastes are the major environmental problems nowa-days and presence of substantial quantity of silica in agro-wastes made them possible to convert waste into valuable fertilizer materials. The present study aimed to extract silica from various agro-wastes such as paddy straw (PS), sugarcane bagasse (SB), maize cobs (MC) and coconut husk (CH) by exposing to various calcination temperatures (500o C, 600o C and 700o C) and characterized through XRF, FESEM-EDAX, TEM, FT-IR, XR-D and other basic properties. The recovery of silica from paddy straw calcined at 700o C was higher than that of other temperatures and sources tested.
{"title":"Silica-derived materials from agricultural wastes: characterization and comparative studies","authors":"B. Rakesh, T. Chitdeshwari, S. Maragatham, D. J. S. Sharmila, A. Senthil, N. Chitra","doi":"10.15251/djnb.2024.192.605","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.605","url":null,"abstract":"The management and disposal of agro-wastes are the major environmental problems nowa-days and presence of substantial quantity of silica in agro-wastes made them possible to convert waste into valuable fertilizer materials. The present study aimed to extract silica from various agro-wastes such as paddy straw (PS), sugarcane bagasse (SB), maize cobs (MC) and coconut husk (CH) by exposing to various calcination temperatures (500o C, 600o C and 700o C) and characterized through XRF, FESEM-EDAX, TEM, FT-IR, XR-D and other basic properties. The recovery of silica from paddy straw calcined at 700o C was higher than that of other temperatures and sources tested.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140982338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-13DOI: 10.15251/djnb.2024.192.661
H. Azeem, S. U. Rehman, S. Haq, S. U. Din, Kh. Elmnasri, M. Ben Ali, Kh. Elhadef, A. Hedfi, J. Razzokov, E. Mahmoudi
The bacterial infection and generation of free radicals inside the body are serious threats to human health globally and researchers show their serious concern for these issues. Thus, in this study, an attempt has been made to control bacterial growth and scavenge the ABTs free radicals. ZnO-NPs were synthesized by an economical method, and the characteristics were investigated using a range of analytical techniques. These methods included FTIR, SEM, EDX, XRD, and TEM. The agar-well diffusion process has been followed to control the growth of selected bacteria and the ABTs free radicals have been scavenged using a standard protocol. The effect of the dose on both activities has been studied where the results has explore that the effectiveness of the ZnO-NPs gradually increases with increasing concentration.
{"title":"Structural, bacteriostatic and antioxidant profiling of zinc oxide nanoparticles","authors":"H. Azeem, S. U. Rehman, S. Haq, S. U. Din, Kh. Elmnasri, M. Ben Ali, Kh. Elhadef, A. Hedfi, J. Razzokov, E. Mahmoudi","doi":"10.15251/djnb.2024.192.661","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.661","url":null,"abstract":"The bacterial infection and generation of free radicals inside the body are serious threats to human health globally and researchers show their serious concern for these issues. Thus, in this study, an attempt has been made to control bacterial growth and scavenge the ABTs free radicals. ZnO-NPs were synthesized by an economical method, and the characteristics were investigated using a range of analytical techniques. These methods included FTIR, SEM, EDX, XRD, and TEM. The agar-well diffusion process has been followed to control the growth of selected bacteria and the ABTs free radicals have been scavenged using a standard protocol. The effect of the dose on both activities has been studied where the results has explore that the effectiveness of the ZnO-NPs gradually increases with increasing concentration.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140984287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-13DOI: 10.15251/djnb.2024.192.669
C. Pulzara-Mora, José Doria-Andrade, R. Bernal-Correa, Andrés Rosales-Rivera, Á. Pulzara-Mora
The obtaining and study of semiconductor materials have been topics of interest for decades. However, alternatives that allow greater versatility at the time of their application have yet to be explored, such as the inclusion of some transition metals. In this work, we report the obtaining of GaAs and GaAs/Cr/GaAs layers, which were prepared by r.f. magnetron sputtering on a Si (100) substrate by varying the deposition time of the intermediate Cr layer for t = 5 min and 10 min, respectively. Scanning electron microscopy in cross-section was carried out to determine the growth mode of the GaAs and GaAs/Cr/GaAs films. The percentage of the elements in the GaAs/Cr/GaAs thin films was determined through energy dispersive spectroscopy (EDS) in cross-sections along the entire layer thickness. X-ray diffraction and micro-Raman spectroscopy at room temperature were measured to analyze the formation of CrAs and GaCr binary phases by diffusion across interlayers. Finally, we conclude on the possible use of this technique to obtain semiconductor alloys with Cr inclusion.
几十年来，半导体材料的获取和研究一直是人们关注的话题。然而，在应用时能实现更大通用性的替代方法，如加入一些过渡金属，仍有待探索。在这项工作中，我们报告了在 Si (100) 衬底上通过 r.f. 磁控溅射法制备 GaAs 和 GaAs/Cr/GaAs 层的情况，中间铬层的沉积时间分别为 t = 5 分钟和 10 分钟。通过横截面扫描电子显微镜确定了砷化镓和砷化镓/铬/砷化镓薄膜的生长模式。通过能量色散光谱（EDS）测定了 GaAs/Cr/GaAs 薄膜中元素的百分比。测量了室温下的 X 射线衍射和微拉曼光谱，以分析 CrAs 和 GaCr 二元相通过层间扩散形成的情况。最后，我们总结了利用这种技术获得含铬半导体合金的可能性。
{"title":"Characterization of GaAs and GaAs/Cr/GaAs interfacial layers fabricated via magnetron sputtering on silicon (100)","authors":"C. Pulzara-Mora, José Doria-Andrade, R. Bernal-Correa, Andrés Rosales-Rivera, Á. Pulzara-Mora","doi":"10.15251/djnb.2024.192.669","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.669","url":null,"abstract":"The obtaining and study of semiconductor materials have been topics of interest for decades. However, alternatives that allow greater versatility at the time of their application have yet to be explored, such as the inclusion of some transition metals. In this work, we report the obtaining of GaAs and GaAs/Cr/GaAs layers, which were prepared by r.f. magnetron sputtering on a Si (100) substrate by varying the deposition time of the intermediate Cr layer for t = 5 min and 10 min, respectively. Scanning electron microscopy in cross-section was carried out to determine the growth mode of the GaAs and GaAs/Cr/GaAs films. The percentage of the elements in the GaAs/Cr/GaAs thin films was determined through energy dispersive spectroscopy (EDS) in cross-sections along the entire layer thickness. X-ray diffraction and micro-Raman spectroscopy at room temperature were measured to analyze the formation of CrAs and GaCr binary phases by diffusion across interlayers. Finally, we conclude on the possible use of this technique to obtain semiconductor alloys with Cr inclusion.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140984890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-13DOI: 10.15251/djnb.2024.192.641
K. C. Ramesh Babu, A. Panneerselvam, S. Mageswari, V. Hariharan
The present work involves in the synthesis and characterization of pristine and "Mg" associated WO3.H2O nano powders by a high yield irradiation technique using microwaves. The diffraction patterns present phased orthorhombic phase and retained even after annealing process. Clear evidence noticed for pure and doped samples in morphological behavior of the samples. The change in optical properties in terms of energy values revealed the contribution of dopants with the evident at 360 nm wavelength blue shift. The obtained magnetic behavior on the annealed samples revealed the transition offer magnetic state to diamagnetic state may be investigated for super conducting applications.
{"title":"Observations on “Mg” incorporated oxides of tungsten for superconducting applications","authors":"K. C. Ramesh Babu, A. Panneerselvam, S. Mageswari, V. Hariharan","doi":"10.15251/djnb.2024.192.641","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.641","url":null,"abstract":"The present work involves in the synthesis and characterization of pristine and \"Mg\" associated WO3.H2O nano powders by a high yield irradiation technique using microwaves. The diffraction patterns present phased orthorhombic phase and retained even after annealing process. Clear evidence noticed for pure and doped samples in morphological behavior of the samples. The change in optical properties in terms of energy values revealed the contribution of dopants with the evident at 360 nm wavelength blue shift. The obtained magnetic behavior on the annealed samples revealed the transition offer magnetic state to diamagnetic state may be investigated for super conducting applications.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140984205","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-13DOI: 10.15251/djnb.2024.192.649
J. Gao, Y. J. Chen, J. T. Shuai, X. Y. Liu, B. N. Zou, W. Feng, P. Wang, J. Q. Chen
Improving photocatalytic activity and stability of titanium dioxide (TiO2) is crucial for its application in wastewater treatment. Incorporating polymer ligands into the synthetic process is an important way to improve the catalytic performance of TiO2. In this work, a water-soluble, non-toxic, and non-ionic polymer, polyvinylpyrrolidone (PVP), was used to regulate the synthesis of TiO2 by using hydrothermal method. It was observed that PVP-regulated TiO2 had enhanced photocatalytic performance comparing with the pure TiO2, mainly due to the enhanced light absorption, the suppressed charge recombination efficiency, the increased oxidation power of photogenerated holes and specific surface area. Additionally, the catalytic stability of the catalyst was also improved. As a result, TiO2 assisted with PVP exhibited a significant improvement in catalytic stability after four cycles of methyl orange degradation. Our research results can provide experimental and theoretical basis for the development of photocatalysts with excel-lent stable catalytic performance.
{"title":"Poly(vinylpyrrolidone) mediated synthesis of TiO2 with enhanced photocatalytic activity and stability","authors":"J. Gao, Y. J. Chen, J. T. Shuai, X. Y. Liu, B. N. Zou, W. Feng, P. Wang, J. Q. Chen","doi":"10.15251/djnb.2024.192.649","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.649","url":null,"abstract":"Improving photocatalytic activity and stability of titanium dioxide (TiO2) is crucial for its application in wastewater treatment. Incorporating polymer ligands into the synthetic process is an important way to improve the catalytic performance of TiO2. In this work, a water-soluble, non-toxic, and non-ionic polymer, polyvinylpyrrolidone (PVP), was used to regulate the synthesis of TiO2 by using hydrothermal method. It was observed that PVP-regulated TiO2 had enhanced photocatalytic performance comparing with the pure TiO2, mainly due to the enhanced light absorption, the suppressed charge recombination efficiency, the increased oxidation power of photogenerated holes and specific surface area. Additionally, the catalytic stability of the catalyst was also improved. As a result, TiO2 assisted with PVP exhibited a significant improvement in catalytic stability after four cycles of methyl orange degradation. Our research results can provide experimental and theoretical basis for the development of photocatalysts with excel-lent stable catalytic performance.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140984363","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-05-13DOI: 10.15251/djnb.2024.192.619
S. Subha, M. Nagarajan, S. Saseetha, S. C. Vella Durai
In order to synthesize CuO, SnO2, and Sn doped CuO nanocomposites, accessible and non-toxic materials, specifically leaf extract from Centratherum punctatum, were used in this work to apply the concepts and practices of green chemistry. These methods are both economical and environmentally friendly. A comprehensive range of characterisation techniques, including as FTIR, X-ray diffraction, and UV-vis spectroscopy, were also used to confirm the structures of all the produced nanomaterials. Instead, FESEM and EDAX were used to analyze the morphologies and elemental composition of recently produced nanomaterials. A decline in the optical band gap values was indicated by the red shift observed in the UV-vis study following tin doping. A sample's presence of different functional groups is confirmed by FT-IR analysis. For CuO NPs, SnO2, and Sn doped CuO NCs, the XRD results yielded crystallite sizes of 6 nm, 21 nm, and 29 nm, respectively, for the produced particles. The ferromagnetic, diamagnetic, and super paramagnetic characteristics of the produced samples at room temperature were validated by vibrating sample magnetometer experiments. Cyclic voltammetry is used to examine the nanoparticles' electrochemical analysis. Using Sn doped CuO nanocomposite material, it shows a high specific capacitance value of about ~187 Fg-1 at a current density of 10 mV/s. It was found from the electrochemical studies that the produced nanomaterials are suitable for capacitive behaviour. After all, the presence of inhibition zones surrounding each well led us to the conclusion that the nanoparticles exhibited antibacterial activity against the pathogenic strains of Staphylococcus aureus and Escherichia coli.
{"title":"Characterization and antibacterial studies of Sn doped CuO nanocomposite using centratherum punctatum leaf extract","authors":"S. Subha, M. Nagarajan, S. Saseetha, S. C. Vella Durai","doi":"10.15251/djnb.2024.192.619","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.619","url":null,"abstract":"In order to synthesize CuO, SnO2, and Sn doped CuO nanocomposites, accessible and non-toxic materials, specifically leaf extract from Centratherum punctatum, were used in this work to apply the concepts and practices of green chemistry. These methods are both economical and environmentally friendly. A comprehensive range of characterisation techniques, including as FTIR, X-ray diffraction, and UV-vis spectroscopy, were also used to confirm the structures of all the produced nanomaterials. Instead, FESEM and EDAX were used to analyze the morphologies and elemental composition of recently produced nanomaterials. A decline in the optical band gap values was indicated by the red shift observed in the UV-vis study following tin doping. A sample's presence of different functional groups is confirmed by FT-IR analysis. For CuO NPs, SnO2, and Sn doped CuO NCs, the XRD results yielded crystallite sizes of 6 nm, 21 nm, and 29 nm, respectively, for the produced particles. The ferromagnetic, diamagnetic, and super paramagnetic characteristics of the produced samples at room temperature were validated by vibrating sample magnetometer experiments. Cyclic voltammetry is used to examine the nanoparticles' electrochemical analysis. Using Sn doped CuO nanocomposite material, it shows a high specific capacitance value of about ~187 Fg-1 at a current density of 10 mV/s. It was found from the electrochemical studies that the produced nanomaterials are suitable for capacitive behaviour. After all, the presence of inhibition zones surrounding each well led us to the conclusion that the nanoparticles exhibited antibacterial activity against the pathogenic strains of Staphylococcus aureus and Escherichia coli.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140983023","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-04-01DOI: 10.15251/djnb.2024.192.525
S. Aldaghfag, M. Ishfaq, Nasarullah Nasarullah, M. Yaseen
Full potential linearized augmented plane wave (FP-LAPW) based computational study is presented for AcAlO3 and AcGaO3. Tolerance factor (τG) is 0.93 for AcAlO3 and 0.90 for AcGaO3 which reveal the stability of proposed perovskite oxides in cubic phase. The calculated band structures for both materials reveal the nonmagnetic semiconductive nature with energy band gaps of 3.98 and 2.75 eV for respective Al and Ga based perovskites. Total, and partial density of states (DOS) are computed for meaningful understanding of semiconducting behavior of the proposed perovskites. The partially filled O-2p and Ac-6d states are observed to lie in the vicinity of Fermi level. Furthermore, various parameters of optical spectra have also been computed to study the light matter interaction. Moreover, thermoelectric (TE) properties of both materials have been investigated by using semiclassical Boltzmann theory with constant relaxation time approximation. Calculated figure of merit (ZT) values for AcAlO3 and AcGaO3 are 0.23 and 0.20 at 800 K, respectively. Overall, computational study for titled perovskites indicate that these materials have application in UV sensors, photovoltaic and thermoelectric devices.
{"title":"Investigation of AcXO3 (X = Al, Ga) perovskites for energy harvesting applications: a DFT approach","authors":"S. Aldaghfag, M. Ishfaq, Nasarullah Nasarullah, M. Yaseen","doi":"10.15251/djnb.2024.192.525","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.525","url":null,"abstract":"Full potential linearized augmented plane wave (FP-LAPW) based computational study is presented for AcAlO3 and AcGaO3. Tolerance factor (τG) is 0.93 for AcAlO3 and 0.90 for AcGaO3 which reveal the stability of proposed perovskite oxides in cubic phase. The calculated band structures for both materials reveal the nonmagnetic semiconductive nature with energy band gaps of 3.98 and 2.75 eV for respective Al and Ga based perovskites. Total, and partial density of states (DOS) are computed for meaningful understanding of semiconducting behavior of the proposed perovskites. The partially filled O-2p and Ac-6d states are observed to lie in the vicinity of Fermi level. Furthermore, various parameters of optical spectra have also been computed to study the light matter interaction. Moreover, thermoelectric (TE) properties of both materials have been investigated by using semiclassical Boltzmann theory with constant relaxation time approximation. Calculated figure of merit (ZT) values for AcAlO3 and AcGaO3 are 0.23 and 0.20 at 800 K, respectively. Overall, computational study for titled perovskites indicate that these materials have application in UV sensors, photovoltaic and thermoelectric devices.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140790097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-04-01DOI: 10.15251/djnb.2024.192.559
P. B. Shetty, K. I. Maddani, K. S. Mahalaxmi, Ch Sanyasa Lakshmi
La-doped Ni-based ferrites (NiFe2O4) exhibit a single-phased cubic spinel structure. ε′ exhibits a quick decline in the low-frequency regime (upto 100 KHz) and a sluggish reduction in the high-frequency range (> 100 KHZ). Tanẟ values are found to be of the order of 10-2 . Variation in Tanẟ and ac values in D relates to conductivity. Cole-Cole plots portray a single semicircle. This points towards the contribution of resistance induced by grain boundaries. The variations in resistance, capacitance, and relaxation time obtained from Z′ vs. Z″ (Cole Cole graph) plots are due to the hopping mechanism.
掺 La 的镍基铁氧体（NiFe2O4）呈现单相立方尖晶石结构。ε′在低频范围（100 KHz 以下）迅速下降，在高频范围（> 100 KHZ）缓慢下降。Tanẟ 值为 10-2 量级。Tanẟ 和 D 中 ac 值的变化与电导率有关。科尔-科尔曲线图描绘了一个半圆。这表明晶界产生了电阻。从 Z′ vs. Z″（科尔-科尔图）图中得到的电阻、电容和弛豫时间的变化是由于跳变机制造成的。
{"title":"On the dielectric properties of nano-phased lanthanum doped nickel ferrites","authors":"P. B. Shetty, K. I. Maddani, K. S. Mahalaxmi, Ch Sanyasa Lakshmi","doi":"10.15251/djnb.2024.192.559","DOIUrl":"https://doi.org/10.15251/djnb.2024.192.559","url":null,"abstract":"La-doped Ni-based ferrites (NiFe2O4) exhibit a single-phased cubic spinel structure. ε′ exhibits a quick decline in the low-frequency regime (upto 100 KHz) and a sluggish reduction in the high-frequency range (> 100 KHZ). Tanẟ values are found to be of the order of 10-2 . Variation in Tanẟ and ac values in D relates to conductivity. Cole-Cole plots portray a single semicircle. This points towards the contribution of resistance induced by grain boundaries. The variations in resistance, capacitance, and relaxation time obtained from Z′ vs. Z″ (Cole Cole graph) plots are due to the hopping mechanism.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":null,"pages":null},"PeriodicalIF":0.9,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140795140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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