Herein, we report the electrical properties of a heterostructure based on n-Si (100) and zinc phthalocyanine (ZnPc) thin films which displays asymmetric current-voltage (I-V) characteristics under the applied voltage sweep. ZnPc thin films were deposited onto clean silicon wafers and quartz substrates through vacuum thermal evaporation technique. Spectroscopic techniques such as UV-visible, PL and FTIR were used in order to investigate the optical properties of the thin films. The α-phase of the as deposited ZnPc film was recognized from the positions and intensity of the peak in the visible region of UV-visible spectroscopy. Optical energy gap of the deposited ZnPc thin film was estimated from the Tauc’s plot and the result is compared with PL spectra. PL spectra show a strong peak located at around ∼ 392 nm, which corresponds to an energy of ∼ 3.13 eV. Microstructural properties of the thin film were studied by the X-ray diffraction which shows preferential orientation along (200) direction and a broad hump appears at around 2θ ∼ 30°. SEM and AFM images display uniform growth of ZnPc thin films, comprising spherical nanoparticles over the substrate surface. The surface RMS roughness of the thin film was estimated from AFM analysis and found to be around ∼ 5.3 nm. The room temperature electrical studies of the fabricated device (Al/n-Si (100)/ ZnPc/ Al) were performed which displays rectifying character in the positive sweep and electrical hysteresis at negative voltage sweep. A suitable energy band diagram is proposed to explain the electrical property of the heterojunction device.Herein, we report the electrical properties of a heterostructure based on n-Si (100) and zinc phthalocyanine (ZnPc) thin films which displays asymmetric current-voltage (I-V) characteristics under the applied voltage sweep. ZnPc thin films were deposited onto clean silicon wafers and quartz substrates through vacuum thermal evaporation technique. Spectroscopic techniques such as UV-visible, PL and FTIR were used in order to investigate the optical properties of the thin films. The α-phase of the as deposited ZnPc film was recognized from the positions and intensity of the peak in the visible region of UV-visible spectroscopy. Optical energy gap of the deposited ZnPc thin film was estimated from the Tauc’s plot and the result is compared with PL spectra. PL spectra show a strong peak located at around ∼ 392 nm, which corresponds to an energy of ∼ 3.13 eV. Microstructural properties of the thin film were studied by the X-ray diffraction which shows preferential orientation along (200) direction and a broad ...
{"title":"Studies on electrical characteristics of organic-inorganic heterostructures","authors":"N. S. Das, K. K. Gogoi, R. Das, A. Chowdhury","doi":"10.1063/1.5130218","DOIUrl":"https://doi.org/10.1063/1.5130218","url":null,"abstract":"Herein, we report the electrical properties of a heterostructure based on n-Si (100) and zinc phthalocyanine (ZnPc) thin films which displays asymmetric current-voltage (I-V) characteristics under the applied voltage sweep. ZnPc thin films were deposited onto clean silicon wafers and quartz substrates through vacuum thermal evaporation technique. Spectroscopic techniques such as UV-visible, PL and FTIR were used in order to investigate the optical properties of the thin films. The α-phase of the as deposited ZnPc film was recognized from the positions and intensity of the peak in the visible region of UV-visible spectroscopy. Optical energy gap of the deposited ZnPc thin film was estimated from the Tauc’s plot and the result is compared with PL spectra. PL spectra show a strong peak located at around ∼ 392 nm, which corresponds to an energy of ∼ 3.13 eV. Microstructural properties of the thin film were studied by the X-ray diffraction which shows preferential orientation along (200) direction and a broad hump appears at around 2θ ∼ 30°. SEM and AFM images display uniform growth of ZnPc thin films, comprising spherical nanoparticles over the substrate surface. The surface RMS roughness of the thin film was estimated from AFM analysis and found to be around ∼ 5.3 nm. The room temperature electrical studies of the fabricated device (Al/n-Si (100)/ ZnPc/ Al) were performed which displays rectifying character in the positive sweep and electrical hysteresis at negative voltage sweep. A suitable energy band diagram is proposed to explain the electrical property of the heterojunction device.Herein, we report the electrical properties of a heterostructure based on n-Si (100) and zinc phthalocyanine (ZnPc) thin films which displays asymmetric current-voltage (I-V) characteristics under the applied voltage sweep. ZnPc thin films were deposited onto clean silicon wafers and quartz substrates through vacuum thermal evaporation technique. Spectroscopic techniques such as UV-visible, PL and FTIR were used in order to investigate the optical properties of the thin films. The α-phase of the as deposited ZnPc film was recognized from the positions and intensity of the peak in the visible region of UV-visible spectroscopy. Optical energy gap of the deposited ZnPc thin film was estimated from the Tauc’s plot and the result is compared with PL spectra. PL spectra show a strong peak located at around ∼ 392 nm, which corresponds to an energy of ∼ 3.13 eV. Microstructural properties of the thin film were studied by the X-ray diffraction which shows preferential orientation along (200) direction and a broad ...","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"25 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89736225","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}
Steffy Maria Jose, C. T. Mathew, Sam Solaman, J. K. Thomas
Synthesis of high-quality nanostructured Yttria/Ceria (Y2O3/CeO2) nanocomposite and the effect of ceria in reinforcing the properties of yttria are presented in the paper. The ultrafine starting powder is synthesized by a single step modified combustion technique and its green pellet is densified by a microwave sintering technique. The as-synthesized sample is characterized using X-ray diffraction (XRD) for determining the crystalline structure. All the peaks were indexed for a cubic structure of Y2O3 (ICDD: 89-5591) and CeO2 (ICDD: 81-0792). The crystallite size calculated for the highest peak (222) using the Debye-Scherrer equation is 24.05 nm. The crystallite sizes are in the range of 16-25 nm. The structural properties of the combustion product are examined by high-resolution transmission electron microscopy (HRTEM). Phase purity is ascertained by FTIR spectroscopy. The optical transmittance is examined by UV-Visible spectroscopy. The sample shows a band gap of 3.42 eV and a high refractive index of 2.36. The theoretical transmittance in the UV-Visible range is 71.8%. The nanopowder is compacted to pellets by hydraulic pressing and densified to 99.5 % of theoretical density at 1450 0C with a ramp rate of 200C/min for a soaking duration of 30 min which is better compared to pure yttria. The morphological investigations are done using field emission scanning electron microscopy (FESEM). The properties show that the sample can be effectively used to fabricate infrared transparent ceramic material.Synthesis of high-quality nanostructured Yttria/Ceria (Y2O3/CeO2) nanocomposite and the effect of ceria in reinforcing the properties of yttria are presented in the paper. The ultrafine starting powder is synthesized by a single step modified combustion technique and its green pellet is densified by a microwave sintering technique. The as-synthesized sample is characterized using X-ray diffraction (XRD) for determining the crystalline structure. All the peaks were indexed for a cubic structure of Y2O3 (ICDD: 89-5591) and CeO2 (ICDD: 81-0792). The crystallite size calculated for the highest peak (222) using the Debye-Scherrer equation is 24.05 nm. The crystallite sizes are in the range of 16-25 nm. The structural properties of the combustion product are examined by high-resolution transmission electron microscopy (HRTEM). Phase purity is ascertained by FTIR spectroscopy. The optical transmittance is examined by UV-Visible spectroscopy. The sample shows a band gap of 3.42 eV and a high refractive index of 2...
{"title":"Effect of cerium oxide in reinforcing the properties and densification of yttria ceramics","authors":"Steffy Maria Jose, C. T. Mathew, Sam Solaman, J. K. Thomas","doi":"10.1063/1.5130363","DOIUrl":"https://doi.org/10.1063/1.5130363","url":null,"abstract":"Synthesis of high-quality nanostructured Yttria/Ceria (Y2O3/CeO2) nanocomposite and the effect of ceria in reinforcing the properties of yttria are presented in the paper. The ultrafine starting powder is synthesized by a single step modified combustion technique and its green pellet is densified by a microwave sintering technique. The as-synthesized sample is characterized using X-ray diffraction (XRD) for determining the crystalline structure. All the peaks were indexed for a cubic structure of Y2O3 (ICDD: 89-5591) and CeO2 (ICDD: 81-0792). The crystallite size calculated for the highest peak (222) using the Debye-Scherrer equation is 24.05 nm. The crystallite sizes are in the range of 16-25 nm. The structural properties of the combustion product are examined by high-resolution transmission electron microscopy (HRTEM). Phase purity is ascertained by FTIR spectroscopy. The optical transmittance is examined by UV-Visible spectroscopy. The sample shows a band gap of 3.42 eV and a high refractive index of 2.36. The theoretical transmittance in the UV-Visible range is 71.8%. The nanopowder is compacted to pellets by hydraulic pressing and densified to 99.5 % of theoretical density at 1450 0C with a ramp rate of 200C/min for a soaking duration of 30 min which is better compared to pure yttria. The morphological investigations are done using field emission scanning electron microscopy (FESEM). The properties show that the sample can be effectively used to fabricate infrared transparent ceramic material.Synthesis of high-quality nanostructured Yttria/Ceria (Y2O3/CeO2) nanocomposite and the effect of ceria in reinforcing the properties of yttria are presented in the paper. The ultrafine starting powder is synthesized by a single step modified combustion technique and its green pellet is densified by a microwave sintering technique. The as-synthesized sample is characterized using X-ray diffraction (XRD) for determining the crystalline structure. All the peaks were indexed for a cubic structure of Y2O3 (ICDD: 89-5591) and CeO2 (ICDD: 81-0792). The crystallite size calculated for the highest peak (222) using the Debye-Scherrer equation is 24.05 nm. The crystallite sizes are in the range of 16-25 nm. The structural properties of the combustion product are examined by high-resolution transmission electron microscopy (HRTEM). Phase purity is ascertained by FTIR spectroscopy. The optical transmittance is examined by UV-Visible spectroscopy. The sample shows a band gap of 3.42 eV and a high refractive index of 2...","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90956713","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}
Iodine doped zinc oxide (I-ZnO) thin films were synthesized by microwave assisted successive ionic layer adsorption (mSILAR) method. The structural characteristics of pure ZnO and I-ZnO thin films were carried out by powder X-ray diffraction (PXRD) analysis. The potential toxicity of pure and I-ZnO films was examined against gram-positive species like Staphylococcus aureus, Streptococcus haemolyticus and Bacillus cereus as well as gram-negative species like Escherichia coli, Klebsiella pneumonia, Proteus vulgaris, Pseudomonas aeruginosa, Salmonella typhi, Serratia marcescens, Proteus rettigiri and Vibrio cholera by employing disc diffusion method. All the samples exhibited antibacterial activity on the tested organisms. I-ZnO produced maximum activity against both gram-positive and gram-negative species compared with pure ZnO thin film. The gram-positive species were observed to be more resistant to pure and I-ZnO thin films than gram-negative species. The studies revealed an enhancement in antibacterial activity of the I-doped thin films as compared to pure ZnO thin films.Iodine doped zinc oxide (I-ZnO) thin films were synthesized by microwave assisted successive ionic layer adsorption (mSILAR) method. The structural characteristics of pure ZnO and I-ZnO thin films were carried out by powder X-ray diffraction (PXRD) analysis. The potential toxicity of pure and I-ZnO films was examined against gram-positive species like Staphylococcus aureus, Streptococcus haemolyticus and Bacillus cereus as well as gram-negative species like Escherichia coli, Klebsiella pneumonia, Proteus vulgaris, Pseudomonas aeruginosa, Salmonella typhi, Serratia marcescens, Proteus rettigiri and Vibrio cholera by employing disc diffusion method. All the samples exhibited antibacterial activity on the tested organisms. I-ZnO produced maximum activity against both gram-positive and gram-negative species compared with pure ZnO thin film. The gram-positive species were observed to be more resistant to pure and I-ZnO thin films than gram-negative species. The studies revealed an enhancement in antibacterial ...
{"title":"A scrutiny of antibacterial activity of pure and iodine doped ZnO thin films synthesized by mSILAR method","authors":"Deepu Thomas, Jyothi Abraham, K. K. Sadasivuni","doi":"10.1063/1.5130376","DOIUrl":"https://doi.org/10.1063/1.5130376","url":null,"abstract":"Iodine doped zinc oxide (I-ZnO) thin films were synthesized by microwave assisted successive ionic layer adsorption (mSILAR) method. The structural characteristics of pure ZnO and I-ZnO thin films were carried out by powder X-ray diffraction (PXRD) analysis. The potential toxicity of pure and I-ZnO films was examined against gram-positive species like Staphylococcus aureus, Streptococcus haemolyticus and Bacillus cereus as well as gram-negative species like Escherichia coli, Klebsiella pneumonia, Proteus vulgaris, Pseudomonas aeruginosa, Salmonella typhi, Serratia marcescens, Proteus rettigiri and Vibrio cholera by employing disc diffusion method. All the samples exhibited antibacterial activity on the tested organisms. I-ZnO produced maximum activity against both gram-positive and gram-negative species compared with pure ZnO thin film. The gram-positive species were observed to be more resistant to pure and I-ZnO thin films than gram-negative species. The studies revealed an enhancement in antibacterial activity of the I-doped thin films as compared to pure ZnO thin films.Iodine doped zinc oxide (I-ZnO) thin films were synthesized by microwave assisted successive ionic layer adsorption (mSILAR) method. The structural characteristics of pure ZnO and I-ZnO thin films were carried out by powder X-ray diffraction (PXRD) analysis. The potential toxicity of pure and I-ZnO films was examined against gram-positive species like Staphylococcus aureus, Streptococcus haemolyticus and Bacillus cereus as well as gram-negative species like Escherichia coli, Klebsiella pneumonia, Proteus vulgaris, Pseudomonas aeruginosa, Salmonella typhi, Serratia marcescens, Proteus rettigiri and Vibrio cholera by employing disc diffusion method. All the samples exhibited antibacterial activity on the tested organisms. I-ZnO produced maximum activity against both gram-positive and gram-negative species compared with pure ZnO thin film. The gram-positive species were observed to be more resistant to pure and I-ZnO thin films than gram-negative species. The studies revealed an enhancement in antibacterial ...","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"28 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73633655","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}
R. Sreekrishnan, S. Karthika, N. S. Roshima, V. Rakhesh
Tin oxide (SnO2) thin films are widely used in optoelectronic devices and solar cells as transparent conducting electrodes. The performance of such devices highly depends on the conductivity of tin oxide electrodes without compromising on the transmission in the desired optical region. So it is important to improve the conductivity of tin oxide thin films used as electrodes. In this work, the electrical and structural properties of SnO2 films deposited on glass substrates by Successive Ionic Layer Adsorption and Reaction (SILAR) and Spin methodology at room temperature is reported. By spin coating, the samples were deposited on glass substrates using Tin chloride in ethanol as the precursor at 1200rpm, at different concentrations. The deposited samples were annealed at 450°C for different annealing times. By the same time SnO2 films deposited on glass substrates by SILAR method using tin chloride in distilled water as the starting solution for different concentration. The samples obtained after deposition were annealed 450°C for 2 hours. Electrical conductivity measurements were done for the samples deposited by both methods and I-V characteristics for the films are plotted. For both methods, the sample prepared at 0.1M concentration and annealed for 2hrs at 450°C showed maximum conductivity retaining good transmission. And also it was found that the sample prepared by SILAR method showed least sheet resistance of the order of 141kΩ. The thickness of the optimised films were determined using Ellipsometry and was found to be 263nm. The structural features of the samples were analysed using X-ray diffraction and Fourier transform Infrared spectroscopy. The XRD analysis revealed that the optimised samples have peaks comparable with the standard tin oxide data and is closer for the samples deposited by spin coating method. The FTIR analysis also suggested absorption corresponding to standard absorption peaks of crystalline Tin Oxide. It is found that SILAR is a better method for film deposition as it could attain small thickness with better conductivity.Tin oxide (SnO2) thin films are widely used in optoelectronic devices and solar cells as transparent conducting electrodes. The performance of such devices highly depends on the conductivity of tin oxide electrodes without compromising on the transmission in the desired optical region. So it is important to improve the conductivity of tin oxide thin films used as electrodes. In this work, the electrical and structural properties of SnO2 films deposited on glass substrates by Successive Ionic Layer Adsorption and Reaction (SILAR) and Spin methodology at room temperature is reported. By spin coating, the samples were deposited on glass substrates using Tin chloride in ethanol as the precursor at 1200rpm, at different concentrations. The deposited samples were annealed at 450°C for different annealing times. By the same time SnO2 films deposited on glass substrates by SILAR method using tin chloride in d
{"title":"Structural and electrical properties of tin oxide films deposited by SILAR and spin coating techniques","authors":"R. Sreekrishnan, S. Karthika, N. S. Roshima, V. Rakhesh","doi":"10.1063/1.5130347","DOIUrl":"https://doi.org/10.1063/1.5130347","url":null,"abstract":"Tin oxide (SnO2) thin films are widely used in optoelectronic devices and solar cells as transparent conducting electrodes. The performance of such devices highly depends on the conductivity of tin oxide electrodes without compromising on the transmission in the desired optical region. So it is important to improve the conductivity of tin oxide thin films used as electrodes. In this work, the electrical and structural properties of SnO2 films deposited on glass substrates by Successive Ionic Layer Adsorption and Reaction (SILAR) and Spin methodology at room temperature is reported. By spin coating, the samples were deposited on glass substrates using Tin chloride in ethanol as the precursor at 1200rpm, at different concentrations. The deposited samples were annealed at 450°C for different annealing times. By the same time SnO2 films deposited on glass substrates by SILAR method using tin chloride in distilled water as the starting solution for different concentration. The samples obtained after deposition were annealed 450°C for 2 hours. Electrical conductivity measurements were done for the samples deposited by both methods and I-V characteristics for the films are plotted. For both methods, the sample prepared at 0.1M concentration and annealed for 2hrs at 450°C showed maximum conductivity retaining good transmission. And also it was found that the sample prepared by SILAR method showed least sheet resistance of the order of 141kΩ. The thickness of the optimised films were determined using Ellipsometry and was found to be 263nm. The structural features of the samples were analysed using X-ray diffraction and Fourier transform Infrared spectroscopy. The XRD analysis revealed that the optimised samples have peaks comparable with the standard tin oxide data and is closer for the samples deposited by spin coating method. The FTIR analysis also suggested absorption corresponding to standard absorption peaks of crystalline Tin Oxide. It is found that SILAR is a better method for film deposition as it could attain small thickness with better conductivity.Tin oxide (SnO2) thin films are widely used in optoelectronic devices and solar cells as transparent conducting electrodes. The performance of such devices highly depends on the conductivity of tin oxide electrodes without compromising on the transmission in the desired optical region. So it is important to improve the conductivity of tin oxide thin films used as electrodes. In this work, the electrical and structural properties of SnO2 films deposited on glass substrates by Successive Ionic Layer Adsorption and Reaction (SILAR) and Spin methodology at room temperature is reported. By spin coating, the samples were deposited on glass substrates using Tin chloride in ethanol as the precursor at 1200rpm, at different concentrations. The deposited samples were annealed at 450°C for different annealing times. By the same time SnO2 films deposited on glass substrates by SILAR method using tin chloride in d","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"160 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80109505","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 Monte Carlo simulation method is now widely applied to materials science and engineering to the study of the kinetics of grain growth in two dimensions. This review Survey includes the grain growth kinetics, Grain Size and Grain Distribution by Monte Carlo simulation method. The initial distribution of orientations is chosen at random and the system evolves so as to reduce the number of nearest neighbor pairs of unlike crystallographic orientation. The temporal evolution of the microstructure is monitored to yield the time dependence of the size and shapes of the grains. A procedure incorporating the Metropolis algorithm which helps in developing the code for computer simulation is given as examples, two codes written using MATLAB software to simulate microstructure evolution using 2D ISING and POTTS Q-States Model would be demonstrated.The Monte Carlo simulation method is now widely applied to materials science and engineering to the study of the kinetics of grain growth in two dimensions. This review Survey includes the grain growth kinetics, Grain Size and Grain Distribution by Monte Carlo simulation method. The initial distribution of orientations is chosen at random and the system evolves so as to reduce the number of nearest neighbor pairs of unlike crystallographic orientation. The temporal evolution of the microstructure is monitored to yield the time dependence of the size and shapes of the grains. A procedure incorporating the Metropolis algorithm which helps in developing the code for computer simulation is given as examples, two codes written using MATLAB software to simulate microstructure evolution using 2D ISING and POTTS Q-States Model would be demonstrated.
{"title":"The Monte Carlo simulation of grain growth in polycrystalline material using Potts Q-state model-a perspective","authors":"P. Rajendra, K. Phaneesh","doi":"10.1063/1.5130215","DOIUrl":"https://doi.org/10.1063/1.5130215","url":null,"abstract":"The Monte Carlo simulation method is now widely applied to materials science and engineering to the study of the kinetics of grain growth in two dimensions. This review Survey includes the grain growth kinetics, Grain Size and Grain Distribution by Monte Carlo simulation method. The initial distribution of orientations is chosen at random and the system evolves so as to reduce the number of nearest neighbor pairs of unlike crystallographic orientation. The temporal evolution of the microstructure is monitored to yield the time dependence of the size and shapes of the grains. A procedure incorporating the Metropolis algorithm which helps in developing the code for computer simulation is given as examples, two codes written using MATLAB software to simulate microstructure evolution using 2D ISING and POTTS Q-States Model would be demonstrated.The Monte Carlo simulation method is now widely applied to materials science and engineering to the study of the kinetics of grain growth in two dimensions. This review Survey includes the grain growth kinetics, Grain Size and Grain Distribution by Monte Carlo simulation method. The initial distribution of orientations is chosen at random and the system evolves so as to reduce the number of nearest neighbor pairs of unlike crystallographic orientation. The temporal evolution of the microstructure is monitored to yield the time dependence of the size and shapes of the grains. A procedure incorporating the Metropolis algorithm which helps in developing the code for computer simulation is given as examples, two codes written using MATLAB software to simulate microstructure evolution using 2D ISING and POTTS Q-States Model would be demonstrated.","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"39 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91249195","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}
Pinky Abraham, S. Renjini, T. Mary, V. Kumary, P. Chithra
In this work a novel and sensitive sensor for morphine (MO) based on electrochemically synthesized poly(p-aminobenzenesulfonicacid)/reduced grapheneoxide (poly(p-ABSA)/RGO) composite modified glassy carbon electrode was reported. The prepared composite was systematically characterized by various techniques like FT-IR, FESEM and EDX. The electrochemical response of morphine on this sensor was investigated in physiological pH 7.0 phosphate buffer solution by cyclic voltammetry and differential pulse voltammetry. The fabricated sensor provides a linear response in the range of 50 nM-80 µM with a detection limit of 47 nM for MO. In addition the sensor also provides good stability, repeatability and anti interference property.
{"title":"A novel voltammetric sensor for morphine detection based on electrochemically synthesized poly (p-aminobenzenesulfonicacid)/reduced graphene oxide composite","authors":"Pinky Abraham, S. Renjini, T. Mary, V. Kumary, P. Chithra","doi":"10.1063/1.5130268","DOIUrl":"https://doi.org/10.1063/1.5130268","url":null,"abstract":"In this work a novel and sensitive sensor for morphine (MO) based on electrochemically synthesized poly(p-aminobenzenesulfonicacid)/reduced grapheneoxide (poly(p-ABSA)/RGO) composite modified glassy carbon electrode was reported. The prepared composite was systematically characterized by various techniques like FT-IR, FESEM and EDX. The electrochemical response of morphine on this sensor was investigated in physiological pH 7.0 phosphate buffer solution by cyclic voltammetry and differential pulse voltammetry. The fabricated sensor provides a linear response in the range of 50 nM-80 µM with a detection limit of 47 nM for MO. In addition the sensor also provides good stability, repeatability and anti interference property.","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"29 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85586383","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}
We report the synthesis and structural characterization of the topological insulator BiSbTe3 single crystal. In Bi2Te3, the Fermi level (EF) lies in the bulk conduction band due to electron type bulk carriers induced by Te vacancies. While in Sb2Te3, Fermi level lies in the bulk valance band due to hole type bulk carriers induced by Sb-Te antisite defects. It is difficult to observe the topological properties by transport experiments due to excess contribution from bulk states. By mixing these two compounds, the ratio of bismuth (Bi) to antimony (Sb) can shift the Fermi level (EF) from bulk conduction band to bulk valance band providing an opportunity to realize ideal topological insulator with insulating bulk. In (Bi1-xSbx)2Te3, at Bi:Sb ratio of 1:1, the Fermi level lies in the bulk gap which is ideal for probing topological surface states through transport measurements. We have grown good quality single crystals of BiSbTe3 using modified Bridgman method. The X-ray diffraction analysis, Scanning electron microscopy and Energy dispersive electron spectroscopy confirms the single crystal formation, phase purity and stoichiometric atomic ratio of the prepared crystal. The electrical resistivity measurement of the crystal shows the metallic nature and high quality of the grown crystal.We report the synthesis and structural characterization of the topological insulator BiSbTe3 single crystal. In Bi2Te3, the Fermi level (EF) lies in the bulk conduction band due to electron type bulk carriers induced by Te vacancies. While in Sb2Te3, Fermi level lies in the bulk valance band due to hole type bulk carriers induced by Sb-Te antisite defects. It is difficult to observe the topological properties by transport experiments due to excess contribution from bulk states. By mixing these two compounds, the ratio of bismuth (Bi) to antimony (Sb) can shift the Fermi level (EF) from bulk conduction band to bulk valance band providing an opportunity to realize ideal topological insulator with insulating bulk. In (Bi1-xSbx)2Te3, at Bi:Sb ratio of 1:1, the Fermi level lies in the bulk gap which is ideal for probing topological surface states through transport measurements. We have grown good quality single crystals of BiSbTe3 using modified Bridgman method. The X-ray diffraction analysis, Scanning electro...
{"title":"Synthesis and structural characterization of BiSbTe3 topological insulator single crystal","authors":"Indu Rajput, A. Lakhani","doi":"10.1063/1.5130254","DOIUrl":"https://doi.org/10.1063/1.5130254","url":null,"abstract":"We report the synthesis and structural characterization of the topological insulator BiSbTe3 single crystal. In Bi2Te3, the Fermi level (EF) lies in the bulk conduction band due to electron type bulk carriers induced by Te vacancies. While in Sb2Te3, Fermi level lies in the bulk valance band due to hole type bulk carriers induced by Sb-Te antisite defects. It is difficult to observe the topological properties by transport experiments due to excess contribution from bulk states. By mixing these two compounds, the ratio of bismuth (Bi) to antimony (Sb) can shift the Fermi level (EF) from bulk conduction band to bulk valance band providing an opportunity to realize ideal topological insulator with insulating bulk. In (Bi1-xSbx)2Te3, at Bi:Sb ratio of 1:1, the Fermi level lies in the bulk gap which is ideal for probing topological surface states through transport measurements. We have grown good quality single crystals of BiSbTe3 using modified Bridgman method. The X-ray diffraction analysis, Scanning electron microscopy and Energy dispersive electron spectroscopy confirms the single crystal formation, phase purity and stoichiometric atomic ratio of the prepared crystal. The electrical resistivity measurement of the crystal shows the metallic nature and high quality of the grown crystal.We report the synthesis and structural characterization of the topological insulator BiSbTe3 single crystal. In Bi2Te3, the Fermi level (EF) lies in the bulk conduction band due to electron type bulk carriers induced by Te vacancies. While in Sb2Te3, Fermi level lies in the bulk valance band due to hole type bulk carriers induced by Sb-Te antisite defects. It is difficult to observe the topological properties by transport experiments due to excess contribution from bulk states. By mixing these two compounds, the ratio of bismuth (Bi) to antimony (Sb) can shift the Fermi level (EF) from bulk conduction band to bulk valance band providing an opportunity to realize ideal topological insulator with insulating bulk. In (Bi1-xSbx)2Te3, at Bi:Sb ratio of 1:1, the Fermi level lies in the bulk gap which is ideal for probing topological surface states through transport measurements. We have grown good quality single crystals of BiSbTe3 using modified Bridgman method. The X-ray diffraction analysis, Scanning electro...","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"30 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81831820","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}
Perovskite structures with the same crystal structure as CaTiO3, are of importance in the field of Materials Science right from the discovery of ceramic high-temperature superconductors to the organic–inorganic semiconductors for high-efficiency photovoltaics. Owing to their unique crystal structure, perovskites display a variety of interesting properties like ferroelectricity, superconductivity, magnetoresistance, birefringence, piezoelectricity etc. Moreover, the efficiency of perovskite solar cells has increased from 3.1% in 2009 to 22.1% in 2017. Since a large number of elements can be combined to form perovskite structures, one can selectively design and optimize perovskite’s physical, optical and electrical characteristics. Through theoretical and computational modelling, it is possible to access the hitherto unknown atomistic properties, opto-electronic properties and operational mechanisms of these materials with high accuracy. This paper aims at explaining some of the potentialities of DFT hybrid functionals to analyze the electronic, structural and optical properties of compounds constituting various layers of a perovskite solar cell with the help of software packages like VASP, Wien 2k. Gaussian 09 etc. This paper also reviews the effect of doping on the electronic properties of various layers of perovskite solar cells including the band gap, visible light absorption, relaxation time of holes and electrons using DFT, which in turn determines the optimum charge separation. The effect of introduction of an Intermediate Band Gap in the perovskite structure using DFT methods based on G0W0+SOC approach is also discussed here. A study on the effect of various intrinsic defects present in perovskite structures using DFT calculations with VASP package is also discussed. The relevance of modelling the interfaces of various layers of perovskite solar cells with DFT packages is discussed with the help of selected examples of materials and representative interfaces.
{"title":"A review on computational modelling of individual device components and interfaces of perovskite solar cells using DFT","authors":"Deepthi Jayan, V. Sebastian","doi":"10.1063/1.5130246","DOIUrl":"https://doi.org/10.1063/1.5130246","url":null,"abstract":"Perovskite structures with the same crystal structure as CaTiO3, are of importance in the field of Materials Science right from the discovery of ceramic high-temperature superconductors to the organic–inorganic semiconductors for high-efficiency photovoltaics. Owing to their unique crystal structure, perovskites display a variety of interesting properties like ferroelectricity, superconductivity, magnetoresistance, birefringence, piezoelectricity etc. Moreover, the efficiency of perovskite solar cells has increased from 3.1% in 2009 to 22.1% in 2017. Since a large number of elements can be combined to form perovskite structures, one can selectively design and optimize perovskite’s physical, optical and electrical characteristics. Through theoretical and computational modelling, it is possible to access the hitherto unknown atomistic properties, opto-electronic properties and operational mechanisms of these materials with high accuracy. This paper aims at explaining some of the potentialities of DFT hybrid functionals to analyze the electronic, structural and optical properties of compounds constituting various layers of a perovskite solar cell with the help of software packages like VASP, Wien 2k. Gaussian 09 etc. This paper also reviews the effect of doping on the electronic properties of various layers of perovskite solar cells including the band gap, visible light absorption, relaxation time of holes and electrons using DFT, which in turn determines the optimum charge separation. The effect of introduction of an Intermediate Band Gap in the perovskite structure using DFT methods based on G0W0+SOC approach is also discussed here. A study on the effect of various intrinsic defects present in perovskite structures using DFT calculations with VASP package is also discussed. The relevance of modelling the interfaces of various layers of perovskite solar cells with DFT packages is discussed with the help of selected examples of materials and representative interfaces.","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"40 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80373634","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}
Md. F. Abdullah, P. Pal, S. Patel, K. Chandrakanta, R. Jena, A. Singh
We have investigated dielectric and magnetodielectric (MD) properties of polycrystalline Y-type hexaferrite Ba2Mg1.5Ni0.5Fe12O22 (BMNF). Rietveld refinement of the X-ray diffraction pattern and hexagonal plate-like Field Emission Scanning Electron Microscope (FESEM) micrograph confirms the phase purity with the rhombohedral crystal structure (R-3m space group). Both temperatures dependent dielectric permittivity (e׳) and dielectric loss (tan δ) show an anomaly around 150°C and 290°C. The comparable value of activation energy extracted from impedance spectroscopy above 290°C between σg and σgb indicates that relaxation and conduction mechanism may be attributing to the same entities. Room temperature magnetodielectric (MD) measurement at 1MHz indicates the step like increase at ∼8 kOe in dielectric constant (e) with applied field but a reverse trend is observed for magneto-loss (ML) with step like feature preserving it nature.We have investigated dielectric and magnetodielectric (MD) properties of polycrystalline Y-type hexaferrite Ba2Mg1.5Ni0.5Fe12O22 (BMNF). Rietveld refinement of the X-ray diffraction pattern and hexagonal plate-like Field Emission Scanning Electron Microscope (FESEM) micrograph confirms the phase purity with the rhombohedral crystal structure (R-3m space group). Both temperatures dependent dielectric permittivity (e׳) and dielectric loss (tan δ) show an anomaly around 150°C and 290°C. The comparable value of activation energy extracted from impedance spectroscopy above 290°C between σg and σgb indicates that relaxation and conduction mechanism may be attributing to the same entities. Room temperature magnetodielectric (MD) measurement at 1MHz indicates the step like increase at ∼8 kOe in dielectric constant (e) with applied field but a reverse trend is observed for magneto-loss (ML) with step like feature preserving it nature.
{"title":"Study of dielectric and magnetodielectric properties of Y-type Ba2Mg1.5Ni0.5Fe12O22 hexaferrite","authors":"Md. F. Abdullah, P. Pal, S. Patel, K. Chandrakanta, R. Jena, A. Singh","doi":"10.1063/1.5130368","DOIUrl":"https://doi.org/10.1063/1.5130368","url":null,"abstract":"We have investigated dielectric and magnetodielectric (MD) properties of polycrystalline Y-type hexaferrite Ba2Mg1.5Ni0.5Fe12O22 (BMNF). Rietveld refinement of the X-ray diffraction pattern and hexagonal plate-like Field Emission Scanning Electron Microscope (FESEM) micrograph confirms the phase purity with the rhombohedral crystal structure (R-3m space group). Both temperatures dependent dielectric permittivity (e׳) and dielectric loss (tan δ) show an anomaly around 150°C and 290°C. The comparable value of activation energy extracted from impedance spectroscopy above 290°C between σg and σgb indicates that relaxation and conduction mechanism may be attributing to the same entities. Room temperature magnetodielectric (MD) measurement at 1MHz indicates the step like increase at ∼8 kOe in dielectric constant (e) with applied field but a reverse trend is observed for magneto-loss (ML) with step like feature preserving it nature.We have investigated dielectric and magnetodielectric (MD) properties of polycrystalline Y-type hexaferrite Ba2Mg1.5Ni0.5Fe12O22 (BMNF). Rietveld refinement of the X-ray diffraction pattern and hexagonal plate-like Field Emission Scanning Electron Microscope (FESEM) micrograph confirms the phase purity with the rhombohedral crystal structure (R-3m space group). Both temperatures dependent dielectric permittivity (e׳) and dielectric loss (tan δ) show an anomaly around 150°C and 290°C. The comparable value of activation energy extracted from impedance spectroscopy above 290°C between σg and σgb indicates that relaxation and conduction mechanism may be attributing to the same entities. Room temperature magnetodielectric (MD) measurement at 1MHz indicates the step like increase at ∼8 kOe in dielectric constant (e) with applied field but a reverse trend is observed for magneto-loss (ML) with step like feature preserving it nature.","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"25 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82148786","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}
I-V-VI2 class of chalcopyrite acts as good absorbers for photovoltaic applications with its strong absorption in the visible region of solar spectra. AgSbSe2 is such a semiconducting material that can be used for photovoltaic applications. In the present work AgSbSe2 was prepared by annealing two different stacked layer structures glass/Sb2S3/Se/Ag and glass/Sb2Se3/Se/Ag at temperatures around 300°C. Deposition of Sb2S3, Sb2Se3 and Se films were carried out by the method of Chemical bath deposition. Ag layer was deposited using RF sputtering. Structural, morphological, chemical and optical characterization of the samples was done using XRD, SEM, EDAX and optical absorption studies respectively.I-V-VI2 class of chalcopyrite acts as good absorbers for photovoltaic applications with its strong absorption in the visible region of solar spectra. AgSbSe2 is such a semiconducting material that can be used for photovoltaic applications. In the present work AgSbSe2 was prepared by annealing two different stacked layer structures glass/Sb2S3/Se/Ag and glass/Sb2Se3/Se/Ag at temperatures around 300°C. Deposition of Sb2S3, Sb2Se3 and Se films were carried out by the method of Chemical bath deposition. Ag layer was deposited using RF sputtering. Structural, morphological, chemical and optical characterization of the samples was done using XRD, SEM, EDAX and optical absorption studies respectively.
{"title":"Preparation and characterization of silver antimony selenide thin film","authors":"A. Kuruvilla, Melda Francis, M. Lakshmi","doi":"10.1063/1.5130290","DOIUrl":"https://doi.org/10.1063/1.5130290","url":null,"abstract":"I-V-VI2 class of chalcopyrite acts as good absorbers for photovoltaic applications with its strong absorption in the visible region of solar spectra. AgSbSe2 is such a semiconducting material that can be used for photovoltaic applications. In the present work AgSbSe2 was prepared by annealing two different stacked layer structures glass/Sb2S3/Se/Ag and glass/Sb2Se3/Se/Ag at temperatures around 300°C. Deposition of Sb2S3, Sb2Se3 and Se films were carried out by the method of Chemical bath deposition. Ag layer was deposited using RF sputtering. Structural, morphological, chemical and optical characterization of the samples was done using XRD, SEM, EDAX and optical absorption studies respectively.I-V-VI2 class of chalcopyrite acts as good absorbers for photovoltaic applications with its strong absorption in the visible region of solar spectra. AgSbSe2 is such a semiconducting material that can be used for photovoltaic applications. In the present work AgSbSe2 was prepared by annealing two different stacked layer structures glass/Sb2S3/Se/Ag and glass/Sb2Se3/Se/Ag at temperatures around 300°C. Deposition of Sb2S3, Sb2Se3 and Se films were carried out by the method of Chemical bath deposition. Ag layer was deposited using RF sputtering. Structural, morphological, chemical and optical characterization of the samples was done using XRD, SEM, EDAX and optical absorption studies respectively.","PeriodicalId":20725,"journal":{"name":"PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS: ICAM 2019","volume":"39 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82626807","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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