Pub Date : 2023-02-23DOI: 10.15330/pcss.24.1.26-33
M. Jweeg, E. Njim, O. S. Abdullah, M. Al-shammari, M. Al-Waily, S. Bakhy
Previous research presented the effect of nanomaterials on the mechanical properties of composite materials with various volume fraction effects; in addition, their research presented the effect of nanomaterials on the same mechanical characteristics for a composite plate structure, such as vibration and thermal buckling behavior. Therefore, since the use of shell structures is for large applications, it is necessary to investigate the modification of the vibration characteristics of its design with the effect of nanomaterials and study the influence of other reinforced nanoparticle types on its features. Therefore, in this work, silicon nanoparticles were selected to investigate their effect on the vibration behavior of a shell structure. As a result, this work included studying the vibration behavior by testing the shell structure with a vibration test machine. In addition, after manufacturing the composite material shell with various silicon volume fractions, the mechanical properties were evaluated. In addition, the finite element technique with the Ansys program was used to assess and compare the vibration behavior of the shell structure using the numerical technique. The comparison of the results gave an acceptable percentage error not exceeding 10.93%. Finally, the results evaluated showed that the modification with silicon nanomaterials gave very good results since the nanomaterials improved about 65% of the shell's mechanical properties and vibration characteristics.
{"title":"Free Vibration Analysis of Composite Cylindrical Shell Reinforced with Silicon Nano-Particles: Analytical and FEM Approach","authors":"M. Jweeg, E. Njim, O. S. Abdullah, M. Al-shammari, M. Al-Waily, S. Bakhy","doi":"10.15330/pcss.24.1.26-33","DOIUrl":"https://doi.org/10.15330/pcss.24.1.26-33","url":null,"abstract":"Previous research presented the effect of nanomaterials on the mechanical properties of composite materials with various volume fraction effects; in addition, their research presented the effect of nanomaterials on the same mechanical characteristics for a composite plate structure, such as vibration and thermal buckling behavior. Therefore, since the use of shell structures is for large applications, it is necessary to investigate the modification of the vibration characteristics of its design with the effect of nanomaterials and study the influence of other reinforced nanoparticle types on its features. Therefore, in this work, silicon nanoparticles were selected to investigate their effect on the vibration behavior of a shell structure. As a result, this work included studying the vibration behavior by testing the shell structure with a vibration test machine. In addition, after manufacturing the composite material shell with various silicon volume fractions, the mechanical properties were evaluated. In addition, the finite element technique with the Ansys program was used to assess and compare the vibration behavior of the shell structure using the numerical technique. The comparison of the results gave an acceptable percentage error not exceeding 10.93%. Finally, the results evaluated showed that the modification with silicon nanomaterials gave very good results since the nanomaterials improved about 65% of the shell's mechanical properties and vibration characteristics.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"161 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74506140","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}
Pub Date : 2023-02-23DOI: 10.15330/pcss.24.1.17-22
M. Rudysh, O. Smitiukh, G. Myronchuk, S. M. Ponedelnyk, O. Marchuk
In the study, band structure calculation in the points of high symmetry of the first Brillouin zone and alongside the lines that connect them has been derived by using CASTEP programs in which the pseudopotential method with the basis in the form of plane-waves is realized. The calculated value of the lattice parameters using GGA functional is well correlated with experimental data. According to the band diagram that was built for the Ag3AsS3 crystal using GGA method, band gap has an indirect type. The calculated value of the band gap is = 1.22 еV. The experimental value of the band gap obtained by Tauc’s method is = 2.01 еV, = 2.17 еV. Full and partial density of N(E) states for contributions of separate atoms has been calculated. As a result, the top of the valence band is formed by 3p-states of S atoms and the bottom of the conduction band is formed by 5s-states of Ag atoms and 3p-states of S atoms.
{"title":"Band Structure Calculation and Optical Properties of Ag3AsS3 Crystals","authors":"M. Rudysh, O. Smitiukh, G. Myronchuk, S. M. Ponedelnyk, O. Marchuk","doi":"10.15330/pcss.24.1.17-22","DOIUrl":"https://doi.org/10.15330/pcss.24.1.17-22","url":null,"abstract":"In the study, band structure calculation in the points of high symmetry of the first Brillouin zone and alongside the lines that connect them has been derived by using CASTEP programs in which the pseudopotential method with the basis in the form of plane-waves is realized. The calculated value of the lattice parameters using GGA functional is well correlated with experimental data. According to the band diagram that was built for the Ag3AsS3 crystal using GGA method, band gap has an indirect type. The calculated value of the band gap is = 1.22 еV. The experimental value of the band gap obtained by Tauc’s method is = 2.01 еV, = 2.17 еV. Full and partial density of N(E) states for contributions of separate atoms has been calculated. As a result, the top of the valence band is formed by 3p-states of S atoms and the bottom of the conduction band is formed by 5s-states of Ag atoms and 3p-states of S atoms.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"47 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78702761","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}
Pub Date : 2023-02-23DOI: 10.15330/pcss.24.1.64-69
Z. Mykytyuk, H. Barylo, I. Kremer, Y. Kachurak, O. Samoilov, I. Kogut
The work of an optical sensor for determining the concentration of alcohols, in particular methanol, ethanol and isopropanol, based on a liquid crystal sensitive element, was studied. The sensitive element is a mixture of cholesteric liquid crystal CB15 and nematic impurity E7. The detection and reaction of the sensitive element to the presence of alcohol vapors is investigated.
{"title":"Nonlinear features of the transition of a liquid crystalline mixture into an isotropic state under the action of alcohol vapors","authors":"Z. Mykytyuk, H. Barylo, I. Kremer, Y. Kachurak, O. Samoilov, I. Kogut","doi":"10.15330/pcss.24.1.64-69","DOIUrl":"https://doi.org/10.15330/pcss.24.1.64-69","url":null,"abstract":"The work of an optical sensor for determining the concentration of alcohols, in particular methanol, ethanol and isopropanol, based on a liquid crystal sensitive element, was studied. The sensitive element is a mixture of cholesteric liquid crystal CB15 and nematic impurity E7. The detection and reaction of the sensitive element to the presence of alcohol vapors is investigated.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"44 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73752673","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}
Pub Date : 2023-02-23DOI: 10.15330/pcss.24.1.34-45
N. Ivanichok, P. Kolkovskyi, A. Soltys, V. Boychuk, V. Mandzyuk, L. Yablon, B. Rachiy
The effect of orthophosphoric acid concentration as an activating agent on the porous structure of carbon materials derived from apricot pits and energy-intensive parameters of electrochemical capacitors formed on their basis is studied. It is found that changing the ratio of the mass of the activating agent to the mass of the raw material in acid-activated porous carbon materials (PCMs), one can control the pore size distribution in the range of 0.5-20 nm and specific surface area in the range of 775-1830 m2/g. The use of cyclic voltammetry, impedance spectroscopy and chronopotentiometry made it possible to set the capacitive nature of charge accumulation processes in acid-activated PCMs, as well as to determine the contribution of a certain size of pores to the specific capacitance of PCM/electrolyte system.
{"title":"The effect of orthophosphoric acid on energy-intensive parameters of porous carbon electrode materials.","authors":"N. Ivanichok, P. Kolkovskyi, A. Soltys, V. Boychuk, V. Mandzyuk, L. Yablon, B. Rachiy","doi":"10.15330/pcss.24.1.34-45","DOIUrl":"https://doi.org/10.15330/pcss.24.1.34-45","url":null,"abstract":"The effect of orthophosphoric acid concentration as an activating agent on the porous structure of carbon materials derived from apricot pits and energy-intensive parameters of electrochemical capacitors formed on their basis is studied. It is found that changing the ratio of the mass of the activating agent to the mass of the raw material in acid-activated porous carbon materials (PCMs), one can control the pore size distribution in the range of 0.5-20 nm and specific surface area in the range of 775-1830 m2/g. The use of cyclic voltammetry, impedance spectroscopy and chronopotentiometry made it possible to set the capacitive nature of charge accumulation processes in acid-activated PCMs, as well as to determine the contribution of a certain size of pores to the specific capacitance of PCM/electrolyte system.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"23 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78829357","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}
Pub Date : 2023-02-23DOI: 10.15330/pcss.24.1.56-63
M. Naumenko, R. Balabai
Using the methods of electron density functional and ab initio pseudopotential, the spatial distributions of valence electron density, the density of electronic states and Coulomb potentials along the specified directions within the arrays of β-Ga2O3 nanowires with different cross-sectional shapes and positions in arrays were calculated. Synergistic properties of arrays of wires are established. The degree of influence of the wires on each other is determined depending on the geometric parameters of their mutual location in the array The electronic characteristics of the array of wires as a whole are determined.
{"title":"Synergistic properties of β-Ga2O3 nanowire arrays","authors":"M. Naumenko, R. Balabai","doi":"10.15330/pcss.24.1.56-63","DOIUrl":"https://doi.org/10.15330/pcss.24.1.56-63","url":null,"abstract":"Using the methods of electron density functional and ab initio pseudopotential, the spatial distributions of valence electron density, the density of electronic states and Coulomb potentials along the specified directions within the arrays of β-Ga2O3 nanowires with different cross-sectional shapes and positions in arrays were calculated. Synergistic properties of arrays of wires are established. The degree of influence of the wires on each other is determined depending on the geometric parameters of their mutual location in the array The electronic characteristics of the array of wires as a whole are determined.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82274283","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}
Pub Date : 2023-02-23DOI: 10.15330/pcss.24.1.23-25
N. Gadzhieva, G. Ahmadova, S. Melikova, F. G. Asadov
High-density polyethylene sheets (HDPE), HDPE/GaAs and HDPE/ GaAs composites with GaAs and GaAs semiconductor fillers were studied by X-ray diffractometry at room temperature. The degree of crystallization of these samples was calculated and it was determined that the inclusion of fillers in the polymer matrix (x=1-10% composite) leads to an increase in the degree of crystallization by 1.3-1.4 times. The obtained results are explained by the change of the upper molecular structure of the polymer.
{"title":"X-ray diffractometric study of HDPE/GaAs and HDPE/GaAs composites","authors":"N. Gadzhieva, G. Ahmadova, S. Melikova, F. G. Asadov","doi":"10.15330/pcss.24.1.23-25","DOIUrl":"https://doi.org/10.15330/pcss.24.1.23-25","url":null,"abstract":"High-density polyethylene sheets (HDPE), HDPE/GaAs and HDPE/ GaAs composites with GaAs and GaAs semiconductor fillers were studied by X-ray diffractometry at room temperature. The degree of crystallization of these samples was calculated and it was determined that the inclusion of fillers in the polymer matrix (x=1-10% composite) leads to an increase in the degree of crystallization by 1.3-1.4 times. The obtained results are explained by the change of the upper molecular structure of the polymer.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"265 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77787788","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}
L. Soltys, I. Mironyuk, I. Mykytyn, I. D. Hnylytsia, L. Turovska
Silicon carbide is an extremely hard material that exhibits exceptional corrosion resistance as well as thermal shock resistance. Its high mechanical properties determine the increased performance of materials based on it. The combination of high thermal conductivity and low thermal expansion coefficient determines the stability of silicon carbide at high heating rates and under stationary thermal conditions. To date, significant progress has been made in the development of methods for the synthesis of various materials based on silicon carbide. The main synthesis methods that scientists use in their research are the sol-gel method, sintering, pyrolysis, microwave synthesis, chemical vapor deposition, etc. The use of "green" techniques in the synthesis of SiC has gained wide popularity due to environmental friendliness, renewability, and ease of implementation. This review analyzes modern research in the field of silicon carbide synthesis published in peer-reviewed professional journals.
{"title":"Synthesis and Properties of Silicon Carbide (Review)","authors":"L. Soltys, I. Mironyuk, I. Mykytyn, I. D. Hnylytsia, L. Turovska","doi":"10.15330/pcss.24.1.5-16","DOIUrl":"https://doi.org/10.15330/pcss.24.1.5-16","url":null,"abstract":"Silicon carbide is an extremely hard material that exhibits exceptional corrosion resistance as well as thermal shock resistance. Its high mechanical properties determine the increased performance of materials based on it. The combination of high thermal conductivity and low thermal expansion coefficient determines the stability of silicon carbide at high heating rates and under stationary thermal conditions. To date, significant progress has been made in the development of methods for the synthesis of various materials based on silicon carbide. The main synthesis methods that scientists use in their research are the sol-gel method, sintering, pyrolysis, microwave synthesis, chemical vapor deposition, etc. The use of \"green\" techniques in the synthesis of SiC has gained wide popularity due to environmental friendliness, renewability, and ease of implementation. This review analyzes modern research in the field of silicon carbide synthesis published in peer-reviewed professional journals.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"24 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84352533","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}
Pub Date : 2023-02-23DOI: 10.15330/pcss.24.1.46-55
K. Balakrishnan, S. Sakthy Priya, A. Lakshmanan, P. Surendran, K. Kannan, P. Geetha, G. Vinitha, P. Praveen Kumar, P. Rameshkumar
Piperazine (bis) p-toluenesulfonate (PPTSA), an organic single crystal was synthesized and grown at environmental temperature by slow evaporation process using methanol as the solvent. The grown PPTSA crystal is from the triclinic system and belongs to the space group P1-. Powder X-ray diffraction was performed to ensure lattice parameters. Analysis and confirmation of functional groups and bonds were carried out through FT-IR spectral study. The optical characteristics were investigated using the UV-Vis spectrum such as the optical absorption, cut-off wavelength were calculated. The photoluminescence investigation was conducted to assess the luminous characteristics of grown crystal. The calculated NLO parameters like β, n2, and χ(3) were found to be 0.0495×10-4 (cm/W), 8.705×10-10 (cm2/W), 5.316×10-7 (esu) and Optical Limiting threshold value was found to be 3.074×10-3 (Wcm-2). Antibacterial studies were carried out to investigate the biological significance against selected foodborne germs.
{"title":"Studies on structural, optical nonlinearity and antibacterial activity of Piperazine (bis) p-toluenesulfonate single crystal for optical limiting and biological applications","authors":"K. Balakrishnan, S. Sakthy Priya, A. Lakshmanan, P. Surendran, K. Kannan, P. Geetha, G. Vinitha, P. Praveen Kumar, P. Rameshkumar","doi":"10.15330/pcss.24.1.46-55","DOIUrl":"https://doi.org/10.15330/pcss.24.1.46-55","url":null,"abstract":"Piperazine (bis) p-toluenesulfonate (PPTSA), an organic single crystal was synthesized and grown at environmental temperature by slow evaporation process using methanol as the solvent. The grown PPTSA crystal is from the triclinic system and belongs to the space group P1-. Powder X-ray diffraction was performed to ensure lattice parameters. Analysis and confirmation of functional groups and bonds were carried out through FT-IR spectral study. The optical characteristics were investigated using the UV-Vis spectrum such as the optical absorption, cut-off wavelength were calculated. The photoluminescence investigation was conducted to assess the luminous characteristics of grown crystal. The calculated NLO parameters like β, n2, and χ(3) were found to be 0.0495×10-4 (cm/W), 8.705×10-10 (cm2/W), 5.316×10-7 (esu) and Optical Limiting threshold value was found to be 3.074×10-3 (Wcm-2). Antibacterial studies were carried out to investigate the biological significance against selected foodborne germs.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"C-31 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2023-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84444476","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}
Pub Date : 2022-12-26DOI: 10.15330/pcss.23.4.830-835
M. Popovych, A. Stronski, K.V. Shprtko
In this paper, amorphous Ga18Ge20.9Te61.2 alloys have been studied using the X-ray diffraction and Raman spectroscopy methods. The experimental X-ray diffraction patterns were used for calculations of radial distribution functions that indicate positions of the nearest-neighbour bond lengths r1 = 2.67 Å and second-neighbour bond length r2 = 4.27 Å. The similar r1-values were observed for Ga-Ge-Te glasses of other compositions. The bands observed in the Raman spectra of Ga18Ge20.9Te61.2 samples show that this glass contains different nanophases, which can be explained using the terms of vibration modes inherent to Ga-Te and Ge-Te glasses, as well as films. Investigations of compositional dependences of characteristic constituent Raman bands intensities, which change with the composition should be studied in order to obtain better assignment of Raman bands.
{"title":"Structural properties of Ga18Ge20.9Te61.2 alloys","authors":"M. Popovych, A. Stronski, K.V. Shprtko","doi":"10.15330/pcss.23.4.830-835","DOIUrl":"https://doi.org/10.15330/pcss.23.4.830-835","url":null,"abstract":"In this paper, amorphous Ga18Ge20.9Te61.2 alloys have been studied using the X-ray diffraction and Raman spectroscopy methods. The experimental X-ray diffraction patterns were used for calculations of radial distribution functions that indicate positions of the nearest-neighbour bond lengths r1 = 2.67 Å and second-neighbour bond length r2 = 4.27 Å. The similar r1-values were observed for Ga-Ge-Te glasses of other compositions. The bands observed in the Raman spectra of Ga18Ge20.9Te61.2 samples show that this glass contains different nanophases, which can be explained using the terms of vibration modes inherent to Ga-Te and Ge-Te glasses, as well as films. Investigations of compositional dependences of characteristic constituent Raman bands intensities, which change with the composition should be studied in order to obtain better assignment of Raman bands.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"94 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79449656","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}
Pub Date : 2022-12-26DOI: 10.15330/pcss.23.4.836-841
L.О. Solіanyk
Within the framework of the Dogonadze-Kuznetsov-Levich theory, using the model of isotropic spherically symmetric bands with a root dependence on the energy of density of states, an expression for discharge currents at the dielectric/electrolyte interfacial boundary was obtained. An approach to estimate average density of electronic levels from which heterogeneous charge transfer takes place is proposed. An expression for obtaining a numerical value of cathode current density was established. Conditions of surface conductivity occurrence of a dielectric in a saline melt without its prior metallization are formulated. It is substantiated that the type of surface conductivity depends on reorganization energy, energy of reactants and reaction products in electrode field, transmission coefficient and other values which are determined by chemical composition of electrolyte, and can be calculated by analytical or quantum chemical methods. It was established that the adsorption of carbon dioxide on the surface of dielectric leads to a significant polarization of surface towards conduction band. The width of the band gap decreases, but the dielectric character of the cluster does not change, there is no band overlapping, i.e. an electrode does not acquire semiconducting and semimetallic character of conductivity. At the same time, adsorption of ВO2– on electrode surface leads to a strong polarization of the surface cluster towards the valence band, whlist a the band gap width decreases slightly, less than in the case of carbon dioxide.
{"title":"Influence of the melt composition on the cathode current density in electrode reactions","authors":"L.О. Solіanyk","doi":"10.15330/pcss.23.4.836-841","DOIUrl":"https://doi.org/10.15330/pcss.23.4.836-841","url":null,"abstract":"Within the framework of the Dogonadze-Kuznetsov-Levich theory, using the model of isotropic spherically symmetric bands with a root dependence on the energy of density of states, an expression for discharge currents at the dielectric/electrolyte interfacial boundary was obtained. An approach to estimate average density of electronic levels from which heterogeneous charge transfer takes place is proposed. An expression for obtaining a numerical value of cathode current density was established. Conditions of surface conductivity occurrence of a dielectric in a saline melt without its prior metallization are formulated. It is substantiated that the type of surface conductivity depends on reorganization energy, energy of reactants and reaction products in electrode field, transmission coefficient and other values which are determined by chemical composition of electrolyte, and can be calculated by analytical or quantum chemical methods. It was established that the adsorption of carbon dioxide on the surface of dielectric leads to a significant polarization of surface towards conduction band. The width of the band gap decreases, but the dielectric character of the cluster does not change, there is no band overlapping, i.e. an electrode does not acquire semiconducting and semimetallic character of conductivity. At the same time, adsorption of ВO2– on electrode surface leads to a strong polarization of the surface cluster towards the valence band, whlist a the band gap width decreases slightly, less than in the case of carbon dioxide.","PeriodicalId":20137,"journal":{"name":"Physics and Chemistry of Solid State","volume":"1 1","pages":""},"PeriodicalIF":0.7,"publicationDate":"2022-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79808604","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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