Pub Date : 2023-11-01DOI: 10.15251/cl.2023.2011.821
L. R. Singh, R. K. L. Singh, M. A. Hussain
Mn doped nanocrystalline PbS thin films were deposited onto glass substrates by chemical bath deposition (CBD) method. All the deposited thin films were found to be crystalline having cubic phase structure. The optical properties of the Mn doped nanocrystalline PbS thin films have been studied. They have high absorbance in the UV-visible region. The linear nature of (αhν)2 vs (hν) plots of PbS thin films confirmed that the transition is direct and the optical band gap energy of PbS films is found to increase from 1.90 eV to 2.28 eV with decreasing crystallite size from 21 nm to 11 nm and the optical band gap values are higher than the bulk value (0.40 eV). The optical band gap of Mn doped PbS films are found to increase with increase in dopant concentrations. The Photoconductive rise time and decay time determined from the prepared films are found to decrease with increase in doping concentrations.
{"title":"Optical and photoconductivity properties of Mn doped nanocrystalline PbS thin films deposited by chemical bath deposition method","authors":"L. R. Singh, R. K. L. Singh, M. A. Hussain","doi":"10.15251/cl.2023.2011.821","DOIUrl":"https://doi.org/10.15251/cl.2023.2011.821","url":null,"abstract":"Mn doped nanocrystalline PbS thin films were deposited onto glass substrates by chemical bath deposition (CBD) method. All the deposited thin films were found to be crystalline having cubic phase structure. The optical properties of the Mn doped nanocrystalline PbS thin films have been studied. They have high absorbance in the UV-visible region. The linear nature of (αhν)2 vs (hν) plots of PbS thin films confirmed that the transition is direct and the optical band gap energy of PbS films is found to increase from 1.90 eV to 2.28 eV with decreasing crystallite size from 21 nm to 11 nm and the optical band gap values are higher than the bulk value (0.40 eV). The optical band gap of Mn doped PbS films are found to increase with increase in dopant concentrations. The Photoconductive rise time and decay time determined from the prepared films are found to decrease with increase in doping concentrations.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":1.0,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139305319","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 : 2023-11-01DOI: 10.15251/cl.2023.2011.779
P. Sateesh, A. Raveendra, M. Ashok, S.S. Sivaraju, K. Umadevi, N. Rajeswaran
In the present work, SnS thin films were prepared using the CBD technique at room temperature and varying annealing temperaturesfrom300 to 450 °C for photo detector applications. The prepared samples were characterized using different techniques for analyzing the structural, optical, morphological, and photo sensing properties of the samples. From XRD analysis, the diffraction pattern of all the prepared thin films shows the pristine SnS phase of the samples possessing an orthorhombic phase without the presence of any impurity phases. Among the fabricated thin films, the SnS thin film annealed at a temperature of 350 °C reveals the highest crystallite size. The Raman results showed the vibrational modes of SnS films and with the increase in growth temperature, the peaks are slightly shifted towards the lower wavelength region. Morphological results show that the SnS thin films exhibit a uniform morphology of 2-D petal-like morphology with different sizes. The UV-vis spectroscopic study shows the decrease in the bandgap value of the samples with the increase in annealing temperature. The photo sensing properties of the fabricated samples show the SnS sample annealed at 400 °C has a higherresponsivityvalueof6.40×10⁻²AW⁻¹,externalquantumefficiency(EQE)valueof14.9%, and the detectivity value of 6.05 × 10⁹ Jones. Finally, the transient photo response results suggest that the SnS annealed at 350 °C shows a rise and fall time of 1.5 and 2.5 s compared to the othersampleswhichwouldbebettersuitedforphotodetectorapplications. The electrical conductivity and photo-conductivity of the films increase by more than two orders with increase of film thickness from 170 nm to 915 nm. Hall Effect measurements confirm the p-type nature of the as-prepared SnS thin films.
{"title":"Performance analysis of P-SnS thin films fabricated using CBD technique for photo detector applications","authors":"P. Sateesh, A. Raveendra, M. Ashok, S.S. Sivaraju, K. Umadevi, N. Rajeswaran","doi":"10.15251/cl.2023.2011.779","DOIUrl":"https://doi.org/10.15251/cl.2023.2011.779","url":null,"abstract":"In the present work, SnS thin films were prepared using the CBD technique at room temperature and varying annealing temperaturesfrom300 to 450 °C for photo detector applications. The prepared samples were characterized using different techniques for analyzing the structural, optical, morphological, and photo sensing properties of the samples. From XRD analysis, the diffraction pattern of all the prepared thin films shows the pristine SnS phase of the samples possessing an orthorhombic phase without the presence of any impurity phases. Among the fabricated thin films, the SnS thin film annealed at a temperature of 350 °C reveals the highest crystallite size. The Raman results showed the vibrational modes of SnS films and with the increase in growth temperature, the peaks are slightly shifted towards the lower wavelength region. Morphological results show that the SnS thin films exhibit a uniform morphology of 2-D petal-like morphology with different sizes. The UV-vis spectroscopic study shows the decrease in the bandgap value of the samples with the increase in annealing temperature. The photo sensing properties of the fabricated samples show the SnS sample annealed at 400 °C has a higherresponsivityvalueof6.40×10⁻²AW⁻¹,externalquantumefficiency(EQE)valueof14.9%, and the detectivity value of 6.05 × 10⁹ Jones. Finally, the transient photo response results suggest that the SnS annealed at 350 °C shows a rise and fall time of 1.5 and 2.5 s compared to the othersampleswhichwouldbebettersuitedforphotodetectorapplications. The electrical conductivity and photo-conductivity of the films increase by more than two orders with increase of film thickness from 170 nm to 915 nm. Hall Effect measurements confirm the p-type nature of the as-prepared SnS thin films.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135614855","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 : 2023-11-01DOI: 10.15251/cl.2023.2011.837
T. A. Chowdhury, S.M.T. Hossain, M.K. Anna, S.A. Ritu, S.F. Nuri
Researchers are doing intense research in tin sulfide (SnS)-based solar cells because of their outstanding semiconducting features. In this work, the solar cell capacitance simulator (SCAPS-1D) has been used to do the simulation study of thin films solar cells using SnS absorber layer with different buffer layers (ZnO, ZnSe, CdZnS, TiO2) in comparison to the toxic CdS buffer layer. Photovoltaic parameters (open circuit voltage, fill factor, short-circuit current density and efficiency) is evaluated as a function of absorber layer thickness, different buffer layer and buffer layer thickness. Device stability at different operating temperature is also evaluated. The simulation results reveal the fabrication of high efficiency SnS based solar cells.
{"title":"Numerical optimization of tin sulphide based solar cell for different buffer layers using SCAPS","authors":"T. A. Chowdhury, S.M.T. Hossain, M.K. Anna, S.A. Ritu, S.F. Nuri","doi":"10.15251/cl.2023.2011.837","DOIUrl":"https://doi.org/10.15251/cl.2023.2011.837","url":null,"abstract":"Researchers are doing intense research in tin sulfide (SnS)-based solar cells because of their outstanding semiconducting features. In this work, the solar cell capacitance simulator (SCAPS-1D) has been used to do the simulation study of thin films solar cells using SnS absorber layer with different buffer layers (ZnO, ZnSe, CdZnS, TiO2) in comparison to the toxic CdS buffer layer. Photovoltaic parameters (open circuit voltage, fill factor, short-circuit current density and efficiency) is evaluated as a function of absorber layer thickness, different buffer layer and buffer layer thickness. Device stability at different operating temperature is also evaluated. The simulation results reveal the fabrication of high efficiency SnS based solar cells.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":1.0,"publicationDate":"2023-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139297243","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 : 2023-10-01DOI: 10.15251/cl.2023.209.677
S. H. Ibraheem, I. M. Abdulmajeed
Recent research on organic and inorganic solar cells has demonstrated that adding metal nanoparticles to the active layer can dramatically boost the performance of thin-film cells. In this research, Silver (Ag) nanoparticles have been added in CdS/ZnTe thin films that were prepared using the pulsed laser deposition (PLD) technique with laser energy ranging from (200-300 mJ). X-ray diffraction (XRD) analysis was used to examine the thin films of CdS and ZnTe for structural details. Atomic force microscopy (AFM) and scanning electron microscopy (SEM) were also employed to examine the morphology of the films. The typical rectifier behavior was seen using the current-voltage (I-V) characteristic curves. Furthermore, by studying the effect of adding silver (Ag) nanoparticles on the capacitance-voltage (C-V) characteristics.
{"title":"The effect of metal Ag nanoparticles on CdS/ZnTe heterojunction solar cells","authors":"S. H. Ibraheem, I. M. Abdulmajeed","doi":"10.15251/cl.2023.209.677","DOIUrl":"https://doi.org/10.15251/cl.2023.209.677","url":null,"abstract":"Recent research on organic and inorganic solar cells has demonstrated that adding metal nanoparticles to the active layer can dramatically boost the performance of thin-film cells. In this research, Silver (Ag) nanoparticles have been added in CdS/ZnTe thin films that were prepared using the pulsed laser deposition (PLD) technique with laser energy ranging from (200-300 mJ). X-ray diffraction (XRD) analysis was used to examine the thin films of CdS and ZnTe for structural details. Atomic force microscopy (AFM) and scanning electron microscopy (SEM) were also employed to examine the morphology of the films. The typical rectifier behavior was seen using the current-voltage (I-V) characteristic curves. Furthermore, by studying the effect of adding silver (Ag) nanoparticles on the capacitance-voltage (C-V) characteristics.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135459245","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 : 2023-10-01DOI: 10.15251/cl.2023.209.663
M. Ahmed, A. Alshahrie, E. R. Shaaban
Copper sulfide nanoparticles have a wide range of applications in various fields, and improving their physical properties is highly desirable. In this study, we investigate the influence of nickel concentrations on the structural, optical, and magnetic characteristics of CuS nanoparticles. The structural properties of Cu1-xNixS (x = 0.00, 0.02, 0.04, 0.06, 0.08, and 0.10) were demonstrated using X-ray diffraction (XRD), which confirmed that all samples have a single hexagonal phase. The Energy Dispersive X-ray Technique (EDAX) was used to investigate the elemental analysis of Cu1-xNixS. The XPS study revealed the valence states of Cu, Ni, and S in the Cu0.94Ni0.06S nanoparticles, as well as surface oxidation. The optical characteristics were calculated based on the absorbance optical spectra of the films using a UV-vis-NIR double-beam spectrophotometer in the wavelength range of 400–1000 nm. The optical band gap for CuS and Ni-doped CuS samples decreases as the Ni concentration rises. Magnetic studies (using the M-H curve) demonstrate that 2% and 4% Ni-doped CuS nanoparticles exhibit strong ferromagnetism at ambient temperature and transition to a paramagnetic nature. These results suggest the potential of creating spintronic devices using Ni-doped CuS nanoparticles.
{"title":"Films of copper sulphide doped with nickel for optoelectronics: structural, optical, and magnetic characteristics","authors":"M. Ahmed, A. Alshahrie, E. R. Shaaban","doi":"10.15251/cl.2023.209.663","DOIUrl":"https://doi.org/10.15251/cl.2023.209.663","url":null,"abstract":"Copper sulfide nanoparticles have a wide range of applications in various fields, and improving their physical properties is highly desirable. In this study, we investigate the influence of nickel concentrations on the structural, optical, and magnetic characteristics of CuS nanoparticles. The structural properties of Cu1-xNixS (x = 0.00, 0.02, 0.04, 0.06, 0.08, and 0.10) were demonstrated using X-ray diffraction (XRD), which confirmed that all samples have a single hexagonal phase. The Energy Dispersive X-ray Technique (EDAX) was used to investigate the elemental analysis of Cu1-xNixS. The XPS study revealed the valence states of Cu, Ni, and S in the Cu0.94Ni0.06S nanoparticles, as well as surface oxidation. The optical characteristics were calculated based on the absorbance optical spectra of the films using a UV-vis-NIR double-beam spectrophotometer in the wavelength range of 400–1000 nm. The optical band gap for CuS and Ni-doped CuS samples decreases as the Ni concentration rises. Magnetic studies (using the M-H curve) demonstrate that 2% and 4% Ni-doped CuS nanoparticles exhibit strong ferromagnetism at ambient temperature and transition to a paramagnetic nature. These results suggest the potential of creating spintronic devices using Ni-doped CuS nanoparticles.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135459497","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 : 2023-10-01DOI: 10.15251/cl.2023.209.685
C. T. Zhu, F. Chen, W. Yan, Y. C. Wei, J. Xu, Y. P. Chen
This paper has prepared a new type of MoSe2/SnSe2/SnSe@C heterostructure nanocomposites by one-step hydrothermal method and systematically studied by XRD, SEM, and XPS. Furthermore, the tribological behavior of MoSe2/SnSe2/SnSe and MoSe2/SnSe2/SnSe@C heterojunction in pure oil was extensively examined in a ball-on-disk tribometer. The effects of applied load and rotational speed were also investigated. Compared with MoSe2/SnSe2/SnSe nanocomposites, MoSe2/SnSe2/SnSe@C achieved better friction properties. Especially, when the mass ratio of MoSe2/SnSe2/SnSe@C in the base oil is 1.5 wt%, the friction coefficient reaches the minimum value of 0.1. The results show that the introduction of carbon material can significantly improve the wear reduction and anti-wear properties of the matrix in lubricating oil. Additionally, the construction and excellent tribological properties of MoSe2/SnSe2/SnSe@C heterojunction would be beneficial for the design of novel nano-additives with 2D/3D structure for enhancing friction reduction and anti-wear, which also would expand their actual applications in the industry and agriculture.
{"title":"Enhancing tribological properties of MoSe2/SnSe2/SnSe@C through 2D nanosheets modification of 3D structures","authors":"C. T. Zhu, F. Chen, W. Yan, Y. C. Wei, J. Xu, Y. P. Chen","doi":"10.15251/cl.2023.209.685","DOIUrl":"https://doi.org/10.15251/cl.2023.209.685","url":null,"abstract":"This paper has prepared a new type of MoSe2/SnSe2/SnSe@C heterostructure nanocomposites by one-step hydrothermal method and systematically studied by XRD, SEM, and XPS. Furthermore, the tribological behavior of MoSe2/SnSe2/SnSe and MoSe2/SnSe2/SnSe@C heterojunction in pure oil was extensively examined in a ball-on-disk tribometer. The effects of applied load and rotational speed were also investigated. Compared with MoSe2/SnSe2/SnSe nanocomposites, MoSe2/SnSe2/SnSe@C achieved better friction properties. Especially, when the mass ratio of MoSe2/SnSe2/SnSe@C in the base oil is 1.5 wt%, the friction coefficient reaches the minimum value of 0.1. The results show that the introduction of carbon material can significantly improve the wear reduction and anti-wear properties of the matrix in lubricating oil. Additionally, the construction and excellent tribological properties of MoSe2/SnSe2/SnSe@C heterojunction would be beneficial for the design of novel nano-additives with 2D/3D structure for enhancing friction reduction and anti-wear, which also would expand their actual applications in the industry and agriculture.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135456924","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 : 2023-09-20DOI: 10.15251/cl.2023.209.657
M. A. Jafarov, E. F. Nasirov, V. Mammadov, S. A. Jahangirova
CdSSe nanoparticles were organized by chemical process at ambient conditions. XRD analysis confirmed that CdSSe NPs. The UV-VIS absorption spectra for CdSSe nanoparticles shown .The range of the absorption edge lies between 650 nm to 420 nm, which is apronounced blue shift from 712 nm of the bulk CdSSe indicating that particles in nanoscale. There is a blue shift compared with the bulk CdSSe because of the quantum confinement effect. The Photoluminescence emission spectra of CdSSe nanoparticles at the different excitation wavelength are show.
{"title":"Optimization of chemical bath deposited CdSSe thin films","authors":"M. A. Jafarov, E. F. Nasirov, V. Mammadov, S. A. Jahangirova","doi":"10.15251/cl.2023.209.657","DOIUrl":"https://doi.org/10.15251/cl.2023.209.657","url":null,"abstract":"CdSSe nanoparticles were organized by chemical process at ambient conditions. XRD analysis confirmed that CdSSe NPs. The UV-VIS absorption spectra for CdSSe nanoparticles shown .The range of the absorption edge lies between 650 nm to 420 nm, which is apronounced blue shift from 712 nm of the bulk CdSSe indicating that particles in nanoscale. There is a blue shift compared with the bulk CdSSe because of the quantum confinement effect. The Photoluminescence emission spectra of CdSSe nanoparticles at the different excitation wavelength are show.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136375222","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 : 2023-09-20DOI: 10.15251/cl.2023.209.649
J. H. Azzawi, B. A. Ahmed, K. A. Jasim, E. M. T. Salman
The DC electrical conductivity properties of Ge60Se40-xTex alloy with x = 0, 5, 10, 15 and 20). The samples were formed in the form of discs with the thickness of 0.25–0.30 cm and the diameter of 1.5 cm. Samples were pressed under a pressure of 6 tons per cm2 , using a ton hydraulic press. They were prepared after being pressed using a ton hydraulic press using a hydraulic press. Melting point technology use to preper the samples. Continuous electrical conductivity properties were recorded from room temperature to 475 K. Experimental data indicates that glass containing 15% Te has the highest electrical conductivity allowing maximum current through the sample compared to Lu with other samples. Therefore, it is found that the DC conductivity increases with increasing Te concentration. The electrical conductivity properties show non-ohmic behavior due to the effects of temperature on the crystal structure of the samples, which indicates that the samples remain semi-conductive after partial replacement. Three conduction mechanisms are also observed for each sample at high, medium, and low temperatures. The Fermi level local and extended state densities and conductance parameters were calculated, and all were found to change with the change of Te concentration.
{"title":"Calculation of the localized and extended energy states density for Ge60Se40-xTex alloy prepared by melting point method","authors":"J. H. Azzawi, B. A. Ahmed, K. A. Jasim, E. M. T. Salman","doi":"10.15251/cl.2023.209.649","DOIUrl":"https://doi.org/10.15251/cl.2023.209.649","url":null,"abstract":"The DC electrical conductivity properties of Ge60Se40-xTex alloy with x = 0, 5, 10, 15 and 20). The samples were formed in the form of discs with the thickness of 0.25–0.30 cm and the diameter of 1.5 cm. Samples were pressed under a pressure of 6 tons per cm2 , using a ton hydraulic press. They were prepared after being pressed using a ton hydraulic press using a hydraulic press. Melting point technology use to preper the samples. Continuous electrical conductivity properties were recorded from room temperature to 475 K. Experimental data indicates that glass containing 15% Te has the highest electrical conductivity allowing maximum current through the sample compared to Lu with other samples. Therefore, it is found that the DC conductivity increases with increasing Te concentration. The electrical conductivity properties show non-ohmic behavior due to the effects of temperature on the crystal structure of the samples, which indicates that the samples remain semi-conductive after partial replacement. Three conduction mechanisms are also observed for each sample at high, medium, and low temperatures. The Fermi level local and extended state densities and conductance parameters were calculated, and all were found to change with the change of Te concentration.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136375024","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 : 2023-09-20DOI: 10.15251/cl.2023.208.619
M. L. Han, Y. Hu
Hydrostatic pressure is an effective tool that can give rise to novel crystal structures and physical properties. In this paper, we perform the first-principles calculation based on density-functional theory (DFT) to study the structural, electronic, elastic, and optical properties of chalcogenide perovskite SrZrS3 under pressure. The results indicated that both the lattice constant and cell volume decrease with the increase of pressure, which are matched well with available previous values. The obtained elastic constants reveal the SrZrS3 is mechanically stable between 0 and 15 GPa. Additionally, the main features of the valence and conduction bands have been analyzed from the total and partial density of states. The complex dielectric function, refractive index, absorption coefficient, reflectivity, and the extinction coefficient are also calculated and analyzed. According to our work, we found that the optical properties of SrZrS3 undergo a red shift with increasing pressure.
{"title":"Structural, electronic, elastic, and optical properties of chalcogenide perovskite SrZrS3 under ambient and high-pressure conditions","authors":"M. L. Han, Y. Hu","doi":"10.15251/cl.2023.208.619","DOIUrl":"https://doi.org/10.15251/cl.2023.208.619","url":null,"abstract":"Hydrostatic pressure is an effective tool that can give rise to novel crystal structures and physical properties. In this paper, we perform the first-principles calculation based on density-functional theory (DFT) to study the structural, electronic, elastic, and optical properties of chalcogenide perovskite SrZrS3 under pressure. The results indicated that both the lattice constant and cell volume decrease with the increase of pressure, which are matched well with available previous values. The obtained elastic constants reveal the SrZrS3 is mechanically stable between 0 and 15 GPa. Additionally, the main features of the valence and conduction bands have been analyzed from the total and partial density of states. The complex dielectric function, refractive index, absorption coefficient, reflectivity, and the extinction coefficient are also calculated and analyzed. According to our work, we found that the optical properties of SrZrS3 undergo a red shift with increasing pressure.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136375025","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 : 2023-09-20DOI: 10.15251/cl.2023.209.639
L. Yang, X. Q. Yuan, R. Y. Liu, R. X. Song, Q. W. Wang, W. Liang
In this paper, we report a facile method for the synthesis of MoS2 nanosheet/ MoS2 nanowire homostructures by growing MoS2 nanosheets on the surface of MoS2 nanowires. Benefiting from the uniform coating of MoS2 nanosheets on the surface of MoS2 nanowires, the MoS2 nanosheet/ MoS2 nanowire homostructures highly expose their electrocatalytic active edge sites and exhibit an enhanced electrocatalytic performance. It demonstrates a low overpotential of 107 mV at 10 mA/cm2 and a small Tafel slope of 64 mV/dec in 0.5 M H2SO4. This work provides an inspiration for the design of efficient electrocatalysts with no stacking and aggregation structure.
本文报道了一种在MoS2纳米线表面生长MoS2纳米片的简单方法来合成MoS2纳米片/ MoS2纳米线同质结构。由于在MoS2纳米线表面均匀地涂覆了MoS2纳米片，MoS2纳米片/ MoS2纳米线的同质结构高度暴露了其电催化活性边缘位点，并表现出增强的电催化性能。它在10 mA/cm2下的过电位为107 mV，在0.5 M H2SO4中，塔菲尔斜率很小，为64 mV/dec。本研究为设计无堆积、无聚集结构的高效电催化剂提供了启示。
{"title":"Rational design of MoS2 nanosheet/ MoS2 nanowire homostructures and their enhanced hydrogen evolution reaction","authors":"L. Yang, X. Q. Yuan, R. Y. Liu, R. X. Song, Q. W. Wang, W. Liang","doi":"10.15251/cl.2023.209.639","DOIUrl":"https://doi.org/10.15251/cl.2023.209.639","url":null,"abstract":"In this paper, we report a facile method for the synthesis of MoS2 nanosheet/ MoS2 nanowire homostructures by growing MoS2 nanosheets on the surface of MoS2 nanowires. Benefiting from the uniform coating of MoS2 nanosheets on the surface of MoS2 nanowires, the MoS2 nanosheet/ MoS2 nanowire homostructures highly expose their electrocatalytic active edge sites and exhibit an enhanced electrocatalytic performance. It demonstrates a low overpotential of 107 mV at 10 mA/cm2 and a small Tafel slope of 64 mV/dec in 0.5 M H2SO4. This work provides an inspiration for the design of efficient electrocatalysts with no stacking and aggregation structure.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136377808","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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