Pub Date : 2022-12-21DOI: 10.15251/cl.2022.1912.871
M. Jawad, S. Selvaraju, Muhammad Umair Javed, F. Ali, Q. Rafiq, I. Ur Rahman, B. Masood, M. Hussain, S. Azam, H. Elhosiny Ali
Metallic materials attracted much attention in the field of optoelectronics for several applications such as infrared radiation detection. In present study, electronic, optical and thermoelectric spectra of Sm and Ce co doped Bi2Te3 materials have been studied using density functional theory (DFT) calculations. Electronic study of the studied material indicates metallic and good optical and thermoelectric properties. Optical spectra of the doped Bi2Te3 show that absorption lies in visible and near UV region of the radiation. Thus, it seems to have potential applications in optoelectronics. Thermoelectric properties favor the semiconducting nature with high Seebeck coefficient and dominant character of p-type charge carriers.
{"title":"Effect of Ce and Sm doping on optoelectronic and thermoelectric properties of Bi2Te3 alloy","authors":"M. Jawad, S. Selvaraju, Muhammad Umair Javed, F. Ali, Q. Rafiq, I. Ur Rahman, B. Masood, M. Hussain, S. Azam, H. Elhosiny Ali","doi":"10.15251/cl.2022.1912.871","DOIUrl":"https://doi.org/10.15251/cl.2022.1912.871","url":null,"abstract":"Metallic materials attracted much attention in the field of optoelectronics for several applications such as infrared radiation detection. In present study, electronic, optical and thermoelectric spectra of Sm and Ce co doped Bi2Te3 materials have been studied using density functional theory (DFT) calculations. Electronic study of the studied material indicates metallic and good optical and thermoelectric properties. Optical spectra of the doped Bi2Te3 show that absorption lies in visible and near UV region of the radiation. Thus, it seems to have potential applications in optoelectronics. Thermoelectric properties favor the semiconducting nature with high Seebeck coefficient and dominant character of p-type charge carriers.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45885275","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 : 2022-12-21DOI: 10.15251/cl.2022.1912.955
G. Gu, J. Shang, X. Zhang
WS2/TiO2 composite layer was successfully in situ prepared by plasma electrolytic oxidation method adding Na2S and Na2WO4 into electrolyte. The structure, morphology and frictional properties of the composite layer were investigated by X-ray diffraction, scanning electron microscopy, and 3D confocal microscopy. It was found that the WS2/TiO2 composite layer is denser and has a lower friction coefficient when the adding concentration is 10–20 g/L. The WS2/TiO2 composite layer in situ prepared by plasma electrolytic oxidation is a new method to improve the trilogical hehavior of TC4 alloy.
{"title":"Improved frictional properties of WS2/TiO2 composite layer in situ prepared on TC4 alloy","authors":"G. Gu, J. Shang, X. Zhang","doi":"10.15251/cl.2022.1912.955","DOIUrl":"https://doi.org/10.15251/cl.2022.1912.955","url":null,"abstract":"WS2/TiO2 composite layer was successfully in situ prepared by plasma electrolytic oxidation method adding Na2S and Na2WO4 into electrolyte. The structure, morphology and frictional properties of the composite layer were investigated by X-ray diffraction, scanning electron microscopy, and 3D confocal microscopy. It was found that the WS2/TiO2 composite layer is denser and has a lower friction coefficient when the adding concentration is 10–20 g/L. The WS2/TiO2 composite layer in situ prepared by plasma electrolytic oxidation is a new method to improve the trilogical hehavior of TC4 alloy.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48991058","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 : 2022-12-21DOI: 10.15251/cl.2022.1912.901
S. R. Devi, P. Saikia, M. Hussain
PVA-capped nanocrystalline CdSe thin films are deposited on chemically clean glass substrates by chemical bath deposition technique using Cadmium acetate [Cd(CH3COO)2.3H2O and Sodium Selenosulfate (Na2SeSO3) as Cd2+ and Se2- ions sources respectively. Polyvinyl Alcohol (PVA) is act as a capping agent. Films of five different molarities (0.1 M–0.50M) of same pH value 8 were prepared at room temperature 298 K. The characteristics of the prepared CdSe thin films are investigated in detail by measuring their optical and electrical properties. The band gap energy of 2.16–2.49 eV was determined from the optical absorption spectra. The optical band gap decrease with increase in molarities. The electrical conductivity measured using two co-planar Aluminium electrodes are found to increase with increase in temperature showing semiconducting nature of the films. The electrical conductivity at room temperature is found to be of the order of 10-4 Ω-1 cm-1 .
{"title":"Studies on optical and electrical properties of PVA capped nanocrystalline CdSe thin film prepared by chemical bath deposition method","authors":"S. R. Devi, P. Saikia, M. Hussain","doi":"10.15251/cl.2022.1912.901","DOIUrl":"https://doi.org/10.15251/cl.2022.1912.901","url":null,"abstract":"PVA-capped nanocrystalline CdSe thin films are deposited on chemically clean glass substrates by chemical bath deposition technique using Cadmium acetate [Cd(CH3COO)2.3H2O and Sodium Selenosulfate (Na2SeSO3) as Cd2+ and Se2- ions sources respectively. Polyvinyl Alcohol (PVA) is act as a capping agent. Films of five different molarities (0.1 M–0.50M) of same pH value 8 were prepared at room temperature 298 K. The characteristics of the prepared CdSe thin films are investigated in detail by measuring their optical and electrical properties. The band gap energy of 2.16–2.49 eV was determined from the optical absorption spectra. The optical band gap decrease with increase in molarities. The electrical conductivity measured using two co-planar Aluminium electrodes are found to increase with increase in temperature showing semiconducting nature of the films. The electrical conductivity at room temperature is found to be of the order of 10-4 Ω-1 cm-1 .","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47125501","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 : 2022-12-21DOI: 10.15251/cl.2022.1912.927
H. Hou, W. X. Chen, S. R. Zhang, X. W. Lu, L. Xie
In this work, first-principles methods based on density functional theory are used to study the structural, electronic and elastic properties of rock-salt SnS in detail. Thermodynamic properties of SnS under high temperature and high pressure were studied by using the quasi-harmonic Debye model. The results show that the optimized structural parameters are in good agreement with the experimental and other theoretical values. The band structure and density of states of SnS are obtained by calculation and analysis. Based on the quasi-harmonic Debye method, the pressure and temperature dependencies of the equilibrium volume, the bulk modulus, the Debye temperature and so on are obtained.
{"title":"Electronic structure, elastic and thermodynamic properties of SnS from theoretical study","authors":"H. Hou, W. X. Chen, S. R. Zhang, X. W. Lu, L. Xie","doi":"10.15251/cl.2022.1912.927","DOIUrl":"https://doi.org/10.15251/cl.2022.1912.927","url":null,"abstract":"In this work, first-principles methods based on density functional theory are used to study the structural, electronic and elastic properties of rock-salt SnS in detail. Thermodynamic properties of SnS under high temperature and high pressure were studied by using the quasi-harmonic Debye model. The results show that the optimized structural parameters are in good agreement with the experimental and other theoretical values. The band structure and density of states of SnS are obtained by calculation and analysis. Based on the quasi-harmonic Debye method, the pressure and temperature dependencies of the equilibrium volume, the bulk modulus, the Debye temperature and so on are obtained.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46201025","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 : 2022-12-21DOI: 10.15251/cl.2022.1912.885
M. Jafarov, N. Verdiyeva
The influence of γ-quanta on the current flow in TlInSe2 single crystals and the process of filling and emptying localized levels in crystals has been experimentally studied. Investigations show that the current -voltage characteristics (CVC) of TlInSe2 single crystals obey Lampert theory and are determined by currents limited by the space charge. It is shown that the defects occurring from γ-quanta in TlInSe2 single crystals result from radiation processes
{"title":"Influence of γ-quanta on TlInSe2 crystal electrical properties","authors":"M. Jafarov, N. Verdiyeva","doi":"10.15251/cl.2022.1912.885","DOIUrl":"https://doi.org/10.15251/cl.2022.1912.885","url":null,"abstract":"The influence of γ-quanta on the current flow in TlInSe2 single crystals and the process of filling and emptying localized levels in crystals has been experimentally studied. Investigations show that the current -voltage characteristics (CVC) of TlInSe2 single crystals obey Lampert theory and are determined by currents limited by the space charge. It is shown that the defects occurring from γ-quanta in TlInSe2 single crystals result from radiation processes","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48324266","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 : 2022-11-30DOI: 10.15251/cl.2022.1911.847
V. Latha, K. Sambathkumar, N. Rajkamal, M. Venkatachalapthy
Synthesize NiCo2S4 and its application to find out electrochemical performance of anionic reaction in nano chemistry. Because of binary transition metal sulfide NiCo2S4 are prepared by using a Chemical precipitation to find out anionic movement within the compound. But the electrochemical were used as a conductive network for the NiCo2S4 hexagonal nano plates. Hence hexagonal nano plates have an average crystalline size of the particles 38.34nm and 20.06nm. Nickel and cobalt sulfides with various stoichiometries have been synthesized from Ni(CH3COO)2.2H2O, CoCl2.6H2O with different sulfur precursors using as a direct method. The morphological composite were characterized by (scanning electron microscopy) SEM, XRD (X-ray diffraction), EDX, UV-visible, FTIR spectrum and optical band-gap energy were evaluated. Optical band-gap energies in the range 4.7 eV−5.1 eV were observed.
合成NiCo2S4及其在纳米化学阴离子反应电化学性能研究中的应用。由于二元过渡金属硫化物，采用化学沉淀法制备了NiCo2S4，以找出化合物内部的阴离子运动。但电化学的导电网络被用于NiCo2S4六方纳米板。因此，六方纳米板的平均晶粒尺寸分别为38.34nm和20.06nm。以Ni(CH3COO)2.2H2O, CoCl2.6H2O为原料，采用不同的硫前驱体，用直接法合成了不同化学计量的镍和钴硫化物。采用扫描电镜(SEM)、x射线衍射(XRD)、EDX、紫外可见光谱(UV-visible)、红外光谱(FTIR)和光学带隙能(band-gap energy)对复合材料进行表征。光带隙能在4.7 eV ~ 5.1 eV范围内。
{"title":"NiCo2S4 nano composite structure with high electrochemical performance in band gap","authors":"V. Latha, K. Sambathkumar, N. Rajkamal, M. Venkatachalapthy","doi":"10.15251/cl.2022.1911.847","DOIUrl":"https://doi.org/10.15251/cl.2022.1911.847","url":null,"abstract":"Synthesize NiCo2S4 and its application to find out electrochemical performance of anionic reaction in nano chemistry. Because of binary transition metal sulfide NiCo2S4 are prepared by using a Chemical precipitation to find out anionic movement within the compound. But the electrochemical were used as a conductive network for the NiCo2S4 hexagonal nano plates. Hence hexagonal nano plates have an average crystalline size of the particles 38.34nm and 20.06nm. Nickel and cobalt sulfides with various stoichiometries have been synthesized from Ni(CH3COO)2.2H2O, CoCl2.6H2O with different sulfur precursors using as a direct method. The morphological composite were characterized by (scanning electron microscopy) SEM, XRD (X-ray diffraction), EDX, UV-visible, FTIR spectrum and optical band-gap energy were evaluated. Optical band-gap energies in the range 4.7 eV−5.1 eV were observed.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41672138","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 : 2022-11-30DOI: 10.15251/cl.2022.1911.841
O. Iaseniuc, M. Iovu, S. Rosoiu, M. Bardeanu, Laura-Bianca Enache, G. Mihai, O. Bordianu, V. Verlan, I. Culeac, I. Cojocaru, M. Enăchescu
The aim of this paper is to characterize the polycrystalline and vitreous phases in the As2S3-Sb2S3-Sb2Te3 systems using several techniques such as XRD, SEM, EDS, and micro-Raman spectroscopy. The As1.17S2.7Sb0.83Te0.40, As1.04S2.4Sb0.96Te0.60, As0.63S2.7Sb1.37Te0.30, and As0.56S2.4Sb1.44Te0.60 semiconductor chalcogenide bulk glasses were examined using Scanning Electron microscopy (SEM), Energy-Dispersive Spectroscopy (EDS), X-Ray diffraction (XRD) and micro-Raman analysis. The EDS quantitative and mapping analysis showed that for each investigated area, the identified elements were sulfur (S), arsenic (As), antimony (Sb) and tellurium (Te). These elements are present in constant atomic percentages on the entire sample, showing a good homogeneity of the samples. The study of samples by the above-mentioned methods showed the presence of crystalline phases and amorphous phases with the polycrystalline inclusions corresponding to the structural units AsS3, Sb2S3, and Sb2Те3.
{"title":"Structural analysis of As-S-Sb-Te polycrystalline nanostructured semiconductors","authors":"O. Iaseniuc, M. Iovu, S. Rosoiu, M. Bardeanu, Laura-Bianca Enache, G. Mihai, O. Bordianu, V. Verlan, I. Culeac, I. Cojocaru, M. Enăchescu","doi":"10.15251/cl.2022.1911.841","DOIUrl":"https://doi.org/10.15251/cl.2022.1911.841","url":null,"abstract":"The aim of this paper is to characterize the polycrystalline and vitreous phases in the As2S3-Sb2S3-Sb2Te3 systems using several techniques such as XRD, SEM, EDS, and micro-Raman spectroscopy. The As1.17S2.7Sb0.83Te0.40, As1.04S2.4Sb0.96Te0.60, As0.63S2.7Sb1.37Te0.30, and As0.56S2.4Sb1.44Te0.60 semiconductor chalcogenide bulk glasses were examined using Scanning Electron microscopy (SEM), Energy-Dispersive Spectroscopy (EDS), X-Ray diffraction (XRD) and micro-Raman analysis. The EDS quantitative and mapping analysis showed that for each investigated area, the identified elements were sulfur (S), arsenic (As), antimony (Sb) and tellurium (Te). These elements are present in constant atomic percentages on the entire sample, showing a good homogeneity of the samples. The study of samples by the above-mentioned methods showed the presence of crystalline phases and amorphous phases with the polycrystalline inclusions corresponding to the structural units AsS3, Sb2S3, and Sb2Те3.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43091344","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 : 2022-11-30DOI: 10.15251/cl.2022.1911.855
M. Rose, R. S. Christy, T. A. Benitta, J. Kumaran, M. Bindhu
Zinc Sulphide nanoparticles (ZnS-NPs) are synthesized by microwave assisted chemical precipitation method. The as-synthesized nanoparticles are identified by X ray diffraction and electrical studies to examine the structural transition. The HT-XRD at 1000 C (373 K) and 2000 C (473 K) of ZnS-NPs also confirms structural transition of cubic to hexagonal phase. Thermal properties of the ZnS sample is also studied using thermo gravimetricdifferential thermal analysis (TG-DTA). From D.C. electrical resistance, a discontinuity occurs in the temperature resistance curve of the ZnS-NPs due to phase transition around 450 K. The energy dispersed x-ray analysis and Raman spectra of the ZnS-NPs confirm the presence of zinc and sulphur. The optical studies of the prepared ZnS-NPs are confirmed by its UV-vis and PL spectra. The TEM image of cubic ZnS-NPs reveals the well distribution of spherical shaped particles with mean size of 12.52 nm with standard deviation of 9.326 nm. According to the photocatalytic results of ZnS-NPs for the degradation of methylene blue (MB) have the highest degradation efficiency of 93.24% under UV irradiation within 80 min. Antibacterial effects of ZnS-NPs nanoparticles against some pathogens, like gram-negative, gram-positive, E. coli (Escherichia coli), S. aureus (Staphylococcus aureus) bacteria.
{"title":"Phase transition in ZnS nanoparticles: electrical, thermal, structural, optical, morphological, antibacterial and photocatalytic properties","authors":"M. Rose, R. S. Christy, T. A. Benitta, J. Kumaran, M. Bindhu","doi":"10.15251/cl.2022.1911.855","DOIUrl":"https://doi.org/10.15251/cl.2022.1911.855","url":null,"abstract":"Zinc Sulphide nanoparticles (ZnS-NPs) are synthesized by microwave assisted chemical precipitation method. The as-synthesized nanoparticles are identified by X ray diffraction and electrical studies to examine the structural transition. The HT-XRD at 1000 C (373 K) and 2000 C (473 K) of ZnS-NPs also confirms structural transition of cubic to hexagonal phase. Thermal properties of the ZnS sample is also studied using thermo gravimetricdifferential thermal analysis (TG-DTA). From D.C. electrical resistance, a discontinuity occurs in the temperature resistance curve of the ZnS-NPs due to phase transition around 450 K. The energy dispersed x-ray analysis and Raman spectra of the ZnS-NPs confirm the presence of zinc and sulphur. The optical studies of the prepared ZnS-NPs are confirmed by its UV-vis and PL spectra. The TEM image of cubic ZnS-NPs reveals the well distribution of spherical shaped particles with mean size of 12.52 nm with standard deviation of 9.326 nm. According to the photocatalytic results of ZnS-NPs for the degradation of methylene blue (MB) have the highest degradation efficiency of 93.24% under UV irradiation within 80 min. Antibacterial effects of ZnS-NPs nanoparticles against some pathogens, like gram-negative, gram-positive, E. coli (Escherichia coli), S. aureus (Staphylococcus aureus) bacteria.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42620044","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 : 2022-11-21DOI: 10.15251/cl.2022.1911.771
R. Huang, Y. Z. Wang, C. B. Li, C. Dang
Janus functionalized MXenes have attracted growing interest due to their exceptional properties. In this work, the structural, mechanical, electronic, and optical properties of Janus Hf2CXY (X, Y = O, S, Se or Te, X ≠ Y) MXenes are investigated using density functional theory. The results of the formation energy, phonon spectrum analysis, and elastic properties validate their structural stability. The Young’s modulus (Y), shear modulus (G), and Poisson’s ratio (υ) of Janus Hf2CXY MXenes can be modulated by the different surface functional groups. It is found that the Janus Hf2COS is a semiconductor with an indirect band gap, while other Hf2CXY MXenes exhibit metallic character. Furthermore, we also explore the effect of strain on the electronic and optical properties of Hf2COS. The results show that the semiconductor to metal transition can occur under compressive strain, and the dielectric spectrum and static dielectric constant can be altered by the tensile strain. These results demonstrate Janus Hf2CXY MXenes’ potential applications in electronic and optical nanodevices.
由于其特殊的性质，Janus功能化的MXenes吸引了越来越多的兴趣。本文利用密度泛函理论研究了Janus Hf2CXY (X, Y = O, S, Se或Te, X≠Y) MXenes的结构、力学、电子和光学性质。地层能量、声子谱分析和弹性性能的结果验证了其结构的稳定性。不同的表面官能团可以调节Janus Hf2CXY MXenes的杨氏模量(Y)、剪切模量(G)和泊松比(υ)。发现Janus Hf2COS是一种具有间接带隙的半导体，而其他Hf2CXY MXenes则表现为金属性质。此外，我们还探讨了应变对Hf2COS的电子和光学性质的影响。结果表明，在压缩应变作用下，半导体材料可以发生向金属的转变，而拉伸应变会改变材料的介电谱和静态介电常数。这些结果证明了Janus Hf2CXY MXenes在电子和光学纳米器件中的潜在应用。
{"title":"The structural, mechanical, electronic, and optical properties of Janus Hf2CXY (X, Y = O, S, Se or Te, X ≠ Y) MXenes","authors":"R. Huang, Y. Z. Wang, C. B. Li, C. Dang","doi":"10.15251/cl.2022.1911.771","DOIUrl":"https://doi.org/10.15251/cl.2022.1911.771","url":null,"abstract":"Janus functionalized MXenes have attracted growing interest due to their exceptional properties. In this work, the structural, mechanical, electronic, and optical properties of Janus Hf2CXY (X, Y = O, S, Se or Te, X ≠ Y) MXenes are investigated using density functional theory. The results of the formation energy, phonon spectrum analysis, and elastic properties validate their structural stability. The Young’s modulus (Y), shear modulus (G), and Poisson’s ratio (υ) of Janus Hf2CXY MXenes can be modulated by the different surface functional groups. It is found that the Janus Hf2COS is a semiconductor with an indirect band gap, while other Hf2CXY MXenes exhibit metallic character. Furthermore, we also explore the effect of strain on the electronic and optical properties of Hf2COS. The results show that the semiconductor to metal transition can occur under compressive strain, and the dielectric spectrum and static dielectric constant can be altered by the tensile strain. These results demonstrate Janus Hf2CXY MXenes’ potential applications in electronic and optical nanodevices.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":"382 8","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41286504","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 : 2022-11-21DOI: 10.15251/cl.2022.1911.761
K. Ibrahimova, A. Azizov, O. Balayeva, R. Alosmanov, R. M. Aghayeva, M. H. Abbasov
This paper described the synthesis of lead(II)sulfide (PbS) based nanocomposite on polyvinyl alcohol/magnesium-aluminum–layered double hydroxide (PVA/Mg-Al-LDH) composite film by a successive ionic layer adsorption and reaction (SILAR) method. To characterize the prepared sample was carried out using X-ray powder diffraction analysis (XRD), Ultraviolet-visible (UV-Vis) spectroscope, Scanning electron microscope (SEM), Energy-dispersive X-ray (EDX) spectroscope, and Fourier transform infrared (FT-IR) spectroscope was used. The optical absorption study confirmed when the PbS nanoparticles are dispersed in the PVA polymer matrix, they can well fit the interstitial spaces between the polymer chains and thus an increase in the optical conductivity.
{"title":"The synthesis and characterization of PbS/ PVA-Mg-Al-LDH nanocomposite film","authors":"K. Ibrahimova, A. Azizov, O. Balayeva, R. Alosmanov, R. M. Aghayeva, M. H. Abbasov","doi":"10.15251/cl.2022.1911.761","DOIUrl":"https://doi.org/10.15251/cl.2022.1911.761","url":null,"abstract":"This paper described the synthesis of lead(II)sulfide (PbS) based nanocomposite on polyvinyl alcohol/magnesium-aluminum–layered double hydroxide (PVA/Mg-Al-LDH) composite film by a successive ionic layer adsorption and reaction (SILAR) method. To characterize the prepared sample was carried out using X-ray powder diffraction analysis (XRD), Ultraviolet-visible (UV-Vis) spectroscope, Scanning electron microscope (SEM), Energy-dispersive X-ray (EDX) spectroscope, and Fourier transform infrared (FT-IR) spectroscope was used. The optical absorption study confirmed when the PbS nanoparticles are dispersed in the PVA polymer matrix, they can well fit the interstitial spaces between the polymer chains and thus an increase in the optical conductivity.","PeriodicalId":9710,"journal":{"name":"Chalcogenide Letters","volume":" ","pages":""},"PeriodicalIF":1.0,"publicationDate":"2022-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49410770","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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