Pub Date : 2017-09-01DOI: 10.1109/NAP.2017.8190243
H. Sameie, A. Asghar, Sabbagh Alvani, N. Naseri
There are some key requirements for a semiconductor employed as photo-catalyst in photoelectrochemical cells which can be predicted by density functional theory (DFT) calculations providing a robust framework to monitor electronic and optical properties. To explore the requiredcharacteristicsfor solar applications, we perform first-principles calculations based on DFT for Zn2V2O7structure. The results illustrate an upper valence band incorporating almost exclusively of O 2p orbitals, while V 3d states are the main constituents of the conduction band, with a moderate mobility of charge carriers. Furthermore, optical calculations display an indirect band gap with a value of 2.52 eV and a mean absorption coefficient about 7×104 cm-1 in the UV-Vis range.
{"title":"First-principles study on electronic and optical characteristics of zinc vanadate photocatalyst","authors":"H. Sameie, A. Asghar, Sabbagh Alvani, N. Naseri","doi":"10.1109/NAP.2017.8190243","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190243","url":null,"abstract":"There are some key requirements for a semiconductor employed as photo-catalyst in photoelectrochemical cells which can be predicted by density functional theory (DFT) calculations providing a robust framework to monitor electronic and optical properties. To explore the requiredcharacteristicsfor solar applications, we perform first-principles calculations based on DFT for Zn2V2O7structure. The results illustrate an upper valence band incorporating almost exclusively of O 2p orbitals, while V 3d states are the main constituents of the conduction band, with a moderate mobility of charge carriers. Furthermore, optical calculations display an indirect band gap with a value of 2.52 eV and a mean absorption coefficient about 7×104 cm-1 in the UV-Vis range.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"11 1","pages":"03NE12-1-03NE12-4"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75742552","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 : 2017-09-01DOI: 10.1109/NAP.2017.8190294
R. Gamernyk, S. Malynych, I. Virt, A. Dziedzic, G. Wisz, P. Potera
Nonlinear-optical refraction of semiconductor thin film Zn0.8Co0.2O decorated with Au nanoparticles was studied by standard Z-scan technique. It is shown that interaction between excitons in Zn0.8Co0.2O and localized surface plasmon resonances in Au nanoparticles results in the enhancement of nonlinear-optical response of a composite film.
{"title":"Exciton-plasmon interaction and nonlinear-optical properties of Zn0.8Co0.2O/Au nanoparticles composite film","authors":"R. Gamernyk, S. Malynych, I. Virt, A. Dziedzic, G. Wisz, P. Potera","doi":"10.1109/NAP.2017.8190294","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190294","url":null,"abstract":"Nonlinear-optical refraction of semiconductor thin film Zn<inf>0.8</inf>Co<inf>0.2</inf>O decorated with Au nanoparticles was studied by standard Z-scan technique. It is shown that interaction between excitons in Zn<inf>0.8</inf>Co<inf>0.2</inf>O and localized surface plasmon resonances in Au nanoparticles results in the enhancement of nonlinear-optical response of a composite film.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"29 1","pages":"04NESP06-1-04NESP06-4"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74938955","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 : 2017-09-01DOI: 10.1109/NAP.2017.8190271
N. Filonenko, A. Galdina
It is revealed that in Fe-B system alloys with boron content of 9.0–15.0 % (wt.) the formation of Fe5B3 iron boride is possible. The mechanism of formation and the temperature interval of existence of Fe5B3 iron boride in Fe-B system alloys are determined. Such thermodynamic quantities of Fe5B3 iron boride as entropy, enthalpy, heat capacity and their temperature dependence are considered. It is shown that accounting for the first degree approximation of high-temperature expansion of the thermodynamic potential of binary Fe-B alloy in the Hillert and Staffansson model enables to give more complete description of appearing of Fe5B3 boride from the thermodynamic viewpoint.
{"title":"Investigation of formation mechanism and thermodynamic functions of Fe5B3 iron boride","authors":"N. Filonenko, A. Galdina","doi":"10.1109/NAP.2017.8190271","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190271","url":null,"abstract":"It is revealed that in Fe-B system alloys with boron content of 9.0–15.0 % (wt.) the formation of Fe<inf>5</inf>B<inf>3</inf> iron boride is possible. The mechanism of formation and the temperature interval of existence of Fe<inf>5</inf>B<inf>3</inf> iron boride in Fe-B system alloys are determined. Such thermodynamic quantities of Fe<inf>5</inf>B<inf>3</inf> iron boride as entropy, enthalpy, heat capacity and their temperature dependence are considered. It is shown that accounting for the first degree approximation of high-temperature expansion of the thermodynamic potential of binary Fe-B alloy in the Hillert and Staffansson model enables to give more complete description of appearing of Fe<inf>5</inf>B<inf>3</inf> boride from the thermodynamic viewpoint.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"1 1","pages":"03NNSA25-1-03NNSA25-4"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83322323","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 : 2017-09-01DOI: 10.1109/NAP.2017.8190162
A. Kozak, V. Ivaschenko, O. Porada, L. A. Ivashchenko
Si-C-N thin films were deposited on glass and silicon substrates by plasma-enhanced chemical vapor deposition using hexamethyldisilazane as the main precursor. The optoelectronic properties of the films deposited at different substrate temperature were studied. All the deposited films were X-ray amorphous. The distribution of main chemical bonds Si-C, C-N were almost unchanged but the number of Si-N, C-H, Si-H and N-H bonds decreasedessentially. As a result of such a bond redistribution, the transparency, optical energy gap, nanohardness and elastic modulus of the films decreased.
{"title":"Effect of substrate temperature on the optoelectronic properties of Si-C-N:H films","authors":"A. Kozak, V. Ivaschenko, O. Porada, L. A. Ivashchenko","doi":"10.1109/NAP.2017.8190162","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190162","url":null,"abstract":"Si-C-N thin films were deposited on glass and silicon substrates by plasma-enhanced chemical vapor deposition using hexamethyldisilazane as the main precursor. The optoelectronic properties of the films deposited at different substrate temperature were studied. All the deposited films were X-ray amorphous. The distribution of main chemical bonds Si-C, C-N were almost unchanged but the number of Si-N, C-H, Si-H and N-H bonds decreasedessentially. As a result of such a bond redistribution, the transparency, optical energy gap, nanohardness and elastic modulus of the films decreased.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"89 1","pages":"01PCSI27-1-01PCSI27-5"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83442079","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 : 2017-09-01DOI: 10.1109/NAP.2017.8190182
Anastasiya S. Kutuzova, T. Dontsova
The titanium (IV) oxide powders were obtained by hydrolytic method with different ratio of the initial reagents. The synthesized TiO2 samples were analyzed by transmission electron microscopy, X-ray diffraction methods and Fourier transform infrared spectroscopy. The obtained titanium dioxide powders are nanocrystalline with unit size in the range of 300+600 nm. It was found that zero point charge decreases with the decreasing of the Titania precursor content. It was established that Titania precursor content significantly influences the phase composition of the powders and their adsorption and photocatalytic properties.
{"title":"Synthesis, characterization and properties of titanium dioxide obtained by hydrolytic method","authors":"Anastasiya S. Kutuzova, T. Dontsova","doi":"10.1109/NAP.2017.8190182","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190182","url":null,"abstract":"The titanium (IV) oxide powders were obtained by hydrolytic method with different ratio of the initial reagents. The synthesized TiO2 samples were analyzed by transmission electron microscopy, X-ray diffraction methods and Fourier transform infrared spectroscopy. The obtained titanium dioxide powders are nanocrystalline with unit size in the range of 300+600 nm. It was found that zero point charge decreases with the decreasing of the Titania precursor content. It was established that Titania precursor content significantly influences the phase composition of the powders and their adsorption and photocatalytic properties.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"8 1","pages":"01NNPT02-1-01NNPT02-5"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83184826","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 : 2017-09-01DOI: 10.1109/NAP.2017.8190297
L. Chkhartishvili
There is given a mini-review of available experimental and theoretical data on small boron clusters, including a diatomic approach, recently developed by author, to calculate the ground-state parameters of such species, which are perspective in synthesizing the novel boron-based functional nanomaterials.
{"title":"Boron quasi-planar clusters a mini-review on diatomic approach","authors":"L. Chkhartishvili","doi":"10.1109/NAP.2017.8190297","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190297","url":null,"abstract":"There is given a mini-review of available experimental and theoretical data on small boron clusters, including a diatomic approach, recently developed by author, to calculate the ground-state parameters of such species, which are perspective in synthesizing the novel boron-based functional nanomaterials.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"25 1","pages":"04NESP10-1-04NESP10-5"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73539869","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 : 2017-09-01DOI: 10.1109/NAP.2017.8190275
Y. Groda, Eldar Bildanov, V. Vikhrenko
The system that models biological objects (e.g. colloids, ensembles of protein molecules) with competing interactions is considered. Such objects attract each other on short distances and repel at larger separations. The model is the system of particles on a triangular lattice interacting via a pair potential which is attractive for the nearest neighbors and repulsive for the third ones. Monte Carlo simulation data for the chemical potential, thermodynamic factor and correlation functions indicate the possibility of order-disorder phase transitions in this system. The simulation data are compared with the analytical results on the basis of the quasichemical approximation.
{"title":"Thermodynamic properties of the system with competing interactions on a triangular lattice","authors":"Y. Groda, Eldar Bildanov, V. Vikhrenko","doi":"10.1109/NAP.2017.8190275","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190275","url":null,"abstract":"The system that models biological objects (e.g. colloids, ensembles of protein molecules) with competing interactions is considered. Such objects attract each other on short distances and repel at larger separations. The model is the system of particles on a triangular lattice interacting via a pair potential which is attractive for the nearest neighbors and repulsive for the third ones. Monte Carlo simulation data for the chemical potential, thermodynamic factor and correlation functions indicate the possibility of order-disorder phase transitions in this system. The simulation data are compared with the analytical results on the basis of the quasichemical approximation.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"35 1","pages":"03NNSA31-1-03NNSA31-4"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78866819","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 : 2017-09-01DOI: 10.1109/NAP.2017.8190148
L. Kalandadze
We investigated equatirial Kerr effect in transparent region ħω=0.5–2.3 eV of the ion-implanted (YBiCa)3(FeGe)5O12 ferrite-garnet films. The implantation process was carried out at the room temperature by Ne+ ions with energy of 100 KeV and with various doses (0.5–2.5) ·1014 ion/cm2. We discovered that slight deviation of the plane of external alternating magnetic field from plane of sample leads to appearance intensive magneto-optical maximum in transparent region of garnet films ħω =0.5–2.3 eV. In the proceeding, we have also found that the deviation of polarization plane from P-component of incident light leads to the appearance of the similar magneto-optical effects in this region. The research of magnetization processes in transparent region of garnet films showed that the formation of magneto-optical effects in region ħω =0.5–2.3 eV has a rather complex character.
{"title":"Investigation of the magneto-optical properties in transparent region of implanted (YBiCa)3(FeGe)5O12 garnet films","authors":"L. Kalandadze","doi":"10.1109/NAP.2017.8190148","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190148","url":null,"abstract":"We investigated equatirial Kerr effect in transparent region ħω=0.5–2.3 eV of the ion-implanted (YBiCa)3(FeGe)5O12 ferrite-garnet films. The implantation process was carried out at the room temperature by Ne+ ions with energy of 100 KeV and with various doses (0.5–2.5) ·1014 ion/cm2. We discovered that slight deviation of the plane of external alternating magnetic field from plane of sample leads to appearance intensive magneto-optical maximum in transparent region of garnet films ħω =0.5–2.3 eV. In the proceeding, we have also found that the deviation of polarization plane from P-component of incident light leads to the appearance of the similar magneto-optical effects in this region. The research of magnetization processes in transparent region of garnet films showed that the formation of magneto-optical effects in region ħω =0.5–2.3 eV has a rather complex character.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"45 1","pages":"01PCSI11-1-01PCSI11-4"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88770885","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 : 2017-09-01DOI: 10.1109/NAP.2017.8190337
O. Shydlovska, N. Zholobak
In the research, we were used normal cells that were received ex vivo, and transfected cell lines to establish the toxicity of non-stabilized and citrate-stabilized nanoparticles of cerium dioxide and to study their influence on the nitrite ion production. As a result, there was established the most effective concentrations of different type cerium dioxide nanoparticles and was showed the different response of normal and tumor cell lines.
{"title":"In vitro cytotoxicity of cerium dioxide nanoparticles and its effect on nitrite-ion production in normal and transplantable cell lines","authors":"O. Shydlovska, N. Zholobak","doi":"10.1109/NAP.2017.8190337","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190337","url":null,"abstract":"In the research, we were used normal cells that were received ex vivo, and transfected cell lines to establish the toxicity of non-stabilized and citrate-stabilized nanoparticles of cerium dioxide and to study their influence on the nitrite ion production. As a result, there was established the most effective concentrations of different type cerium dioxide nanoparticles and was showed the different response of normal and tumor cell lines.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"38 1","pages":"04NB25-1-04NB25-4"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84886160","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 : 2017-09-01DOI: 10.1109/NAP.2017.8190352
J. Mizera, Z. Pakieła, P. Maj, J. Zdunek
Duplex stainless-steel due to its chemical composition and ferritic — austenitic microstructure possess the best properties of both phases. Thanks to large plastic deformation it is possible to improve certain properties, primarily mechanical ones, as a result large grain refinement that can be obtained by severe plastic deformation (SPD). In the current experiment an hydrostatic extrusion (an SPD method) of commercial 1.4462 duplex stainless steel was carried out using two reduction stages leading to a cumulative deformation strain of 1.4, and then 3.8. The extrusion process led to a change in the mechanical properties in the sub-micro levels. The aim of this research was to analyze those changes in both present phases austenite and ferrite by using nano-hardness test and XRD strain analysis.
{"title":"Heterogeneity of deformation in duplex stainless steel subjected to hydrostatic extrusion","authors":"J. Mizera, Z. Pakieła, P. Maj, J. Zdunek","doi":"10.1109/NAP.2017.8190352","DOIUrl":"https://doi.org/10.1109/NAP.2017.8190352","url":null,"abstract":"Duplex stainless-steel due to its chemical composition and ferritic — austenitic microstructure possess the best properties of both phases. Thanks to large plastic deformation it is possible to improve certain properties, primarily mechanical ones, as a result large grain refinement that can be obtained by severe plastic deformation (SPD). In the current experiment an hydrostatic extrusion (an SPD method) of commercial 1.4462 duplex stainless steel was carried out using two reduction stages leading to a cumulative deformation strain of 1.4, and then 3.8. The extrusion process led to a change in the mechanical properties in the sub-micro levels. The aim of this research was to analyze those changes in both present phases austenite and ferrite by using nano-hardness test and XRD strain analysis.","PeriodicalId":6516,"journal":{"name":"2017 IEEE 7th International Conference Nanomaterials: Application & Properties (NAP)","volume":"26 1","pages":"02MAN07-1-02MAN07-4"},"PeriodicalIF":0.0,"publicationDate":"2017-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82815910","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}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：