Pub Date : 2023-10-30DOI: 10.15251/djnb.2023.184.1197
L. L. Wen, L. S. Chuah, Y. G. Zhang, Y. Yusof, N. M. Ahmed, Z. Hassan
In this paper, we investigated growth of GaN and Al0.09Ga0.91N epilayer grown on silicon (111) by using II MBE system. The major characterization tools used for this study were high resolution X-ray diffraction (HRXRD), and micro photoluminescence (PL) spectroscopy. Also reported is our attempt to fabricate and characterize metalsemiconductor-metal photodiode based on these films. The responsivity as a function of wavelength for an MSM GaN/Si(111) detector is a sharp cut-off wavelength at 362 nm. A maximum responsivity of 0.256 A/W was achieved at 358 nm. For Al0.09Ga0.91N film, there is a sharp cut-off wavelength at 340 nm. A maximum responsivity of 0.263 A/W was achieved at 338 nm. In UV spectral region, the detector shows a little decrease from 340 to 200 nm. The responsivity of the MSM drops by nearly an order of magnitude across the cut-off wavelength.
{"title":"Growth of III-nitrides on Si(111) and its application to photodiodes","authors":"L. L. Wen, L. S. Chuah, Y. G. Zhang, Y. Yusof, N. M. Ahmed, Z. Hassan","doi":"10.15251/djnb.2023.184.1197","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1197","url":null,"abstract":"In this paper, we investigated growth of GaN and Al0.09Ga0.91N epilayer grown on silicon (111) by using II MBE system. The major characterization tools used for this study were high resolution X-ray diffraction (HRXRD), and micro photoluminescence (PL) spectroscopy. Also reported is our attempt to fabricate and characterize metalsemiconductor-metal photodiode based on these films. The responsivity as a function of wavelength for an MSM GaN/Si(111) detector is a sharp cut-off wavelength at 362 nm. A maximum responsivity of 0.256 A/W was achieved at 358 nm. For Al0.09Ga0.91N film, there is a sharp cut-off wavelength at 340 nm. A maximum responsivity of 0.263 A/W was achieved at 338 nm. In UV spectral region, the detector shows a little decrease from 340 to 200 nm. The responsivity of the MSM drops by nearly an order of magnitude across the cut-off wavelength.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136133381","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 : 2023-10-30DOI: 10.15251/djnb.2023.184.1213
Z. J. Zhang, J. Li, Z. Q. Li, B. L. Li, N. N. Xing
Well-developed micro and mesoporous activated carbon fibers (ACFs) with fiber structure were prepared from tissue by CO2 activation. The XRD patterns and Raman spectrum indicated ACFs had a graphitic and amorphous structure. The SEM results indicated that the sample exhibited fiber structure with lots of mesoporous, with an average pore size of 2-5 nm. The specific surface area of 1517 m2 /g, micro surface area of 412.9 m2 /g, and total pore volume of 1.194 cm3 /g were obtained at 900°C with CO2 activation for 2 hours. ACFs showed relatively high methylene blue adsorption properties with an equilibrium adsorption capacity of 526 mg/g. The kinetic model of the Pseudo-second-order equation was more suitable for MB adsorption than the Pseudo-first-order equation and Intraparticle diffusion kinetics, with a high correlation coefficient value (R>0.999). The present research provided a new idea of bionics for the manufacture of ACFs and brought forward a creative prospect for achieving energy-related CO2 emissions to net-zero and mitigating global warming.
{"title":"Adsorption property and kinetic studies of activated carbon fibers prepared from tissues by CO2 activation","authors":"Z. J. Zhang, J. Li, Z. Q. Li, B. L. Li, N. N. Xing","doi":"10.15251/djnb.2023.184.1213","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1213","url":null,"abstract":"Well-developed micro and mesoporous activated carbon fibers (ACFs) with fiber structure were prepared from tissue by CO2 activation. The XRD patterns and Raman spectrum indicated ACFs had a graphitic and amorphous structure. The SEM results indicated that the sample exhibited fiber structure with lots of mesoporous, with an average pore size of 2-5 nm. The specific surface area of 1517 m2 /g, micro surface area of 412.9 m2 /g, and total pore volume of 1.194 cm3 /g were obtained at 900°C with CO2 activation for 2 hours. ACFs showed relatively high methylene blue adsorption properties with an equilibrium adsorption capacity of 526 mg/g. The kinetic model of the Pseudo-second-order equation was more suitable for MB adsorption than the Pseudo-first-order equation and Intraparticle diffusion kinetics, with a high correlation coefficient value (R>0.999). The present research provided a new idea of bionics for the manufacture of ACFs and brought forward a creative prospect for achieving energy-related CO2 emissions to net-zero and mitigating global warming.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"76 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136132267","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 : 2023-10-30DOI: 10.15251/djnb.2023.184.1261
H. A. Salih, G. G. Ali, M. M. Uonis
Titanium - polyaniline nanocomposites were prepared using polymerization of aniline. Structure (XRD), surface (SEM, AFM), chemical (FTIR) and optical (UVSpectrophotometer) properties have been examined. The X-ray diffraction pattern observed the PANI/TiO2 has a crystalline nature and the peak intensity increases with TiO2 composition ratio, the results of SEM &AFM images show the surface of TiO2- polyaniline have regular distribution and homogeneous structure. Furthermore, the grain size increases with increasing of TiO2 compositions and was found to be 32.58nm, 36.21nm and 47.67 nm at x= 0.2, 0.5 and 0.8 respectively. Additionally, optical properties show that the absorption intensity increases with TiO2 compositions compared to pure TiO2. Hybrid of TiO2/PANI has a vast attracted attention especially to improve photocatalytic activity. Simple design and high quality of nanocomposites play a crucial role in improving mechanical and physical properties.
{"title":"Structure and optical properties of polyaniline-based hybrid nanocomposites by chemical oxidative method","authors":"H. A. Salih, G. G. Ali, M. M. Uonis","doi":"10.15251/djnb.2023.184.1261","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1261","url":null,"abstract":"Titanium - polyaniline nanocomposites were prepared using polymerization of aniline. Structure (XRD), surface (SEM, AFM), chemical (FTIR) and optical (UVSpectrophotometer) properties have been examined. The X-ray diffraction pattern observed the PANI/TiO2 has a crystalline nature and the peak intensity increases with TiO2 composition ratio, the results of SEM &AFM images show the surface of TiO2- polyaniline have regular distribution and homogeneous structure. Furthermore, the grain size increases with increasing of TiO2 compositions and was found to be 32.58nm, 36.21nm and 47.67 nm at x= 0.2, 0.5 and 0.8 respectively. Additionally, optical properties show that the absorption intensity increases with TiO2 compositions compared to pure TiO2. Hybrid of TiO2/PANI has a vast attracted attention especially to improve photocatalytic activity. Simple design and high quality of nanocomposites play a crucial role in improving mechanical and physical properties.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"43 6","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136133387","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 : 2023-10-30DOI: 10.15251/djnb.2023.184.1147
Y. Sun, Y. Zhong, X. Luo, Y. J. Duan, K. Lei, L. J. Mao, W. Feng
Nitrogen-doped TiO2 with exposed (001) facets was prepared by hydrothermal method using TiN as precursor. The effect of the proportion of HF and HCl on the crystal structure, morphology, optical properties and photocatalytic activity were investigated. The photocatalytic performance of N-doped TiO2 nanosheets was evaluated by the degradation of methylene blue (MB) under xenon lamp light source. The results showed that TiO2 demonstrated nanorod structure with a single rutile phase in the absence of HF while anatase TiO2 exhibited nanosheet structure with exposed (001) facets in the presence of HF. With the increase of HF addition, the degradation rate of the N-doped TiO2 decreased gradually. When the addition of HF was 1 mL, TiO2 showed the highest photocatalytic activity, which was mainly attributed to the large specific surface area and optimal percentage of exposed (001) facets.
{"title":"Facile synthesis of N-doped TiO2 nanosheets with exposed (001) facets for enhancing photocatalytic activity","authors":"Y. Sun, Y. Zhong, X. Luo, Y. J. Duan, K. Lei, L. J. Mao, W. Feng","doi":"10.15251/djnb.2023.184.1147","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1147","url":null,"abstract":"Nitrogen-doped TiO2 with exposed (001) facets was prepared by hydrothermal method using TiN as precursor. The effect of the proportion of HF and HCl on the crystal structure, morphology, optical properties and photocatalytic activity were investigated. The photocatalytic performance of N-doped TiO2 nanosheets was evaluated by the degradation of methylene blue (MB) under xenon lamp light source. The results showed that TiO2 demonstrated nanorod structure with a single rutile phase in the absence of HF while anatase TiO2 exhibited nanosheet structure with exposed (001) facets in the presence of HF. With the increase of HF addition, the degradation rate of the N-doped TiO2 decreased gradually. When the addition of HF was 1 mL, TiO2 showed the highest photocatalytic activity, which was mainly attributed to the large specific surface area and optimal percentage of exposed (001) facets.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"76 2","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136132268","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 : 2023-10-30DOI: 10.15251/djnb.2023.184.1225
A. A. Salih, W. K. Abad, S. A. Fadaam, B. H. Hussein
PbO NPs have been prepared by green synthesis. The diffraction patterns of α-PbO-NPs are shown by the XRD pattern, and the β-PbO-NPs have proven the tetragonal and orthorhombic structure. PbO has an optical energy gap of 4.2 eV. The FT-IR observed bond at 676 cm-1 attributed to the existence of PbO stretch. Nanoparticals with spherical and semi-spherical shapes are formed, as seen in the SEM image. The average particle size was under 100 nm. Fabrication and characterization of a high performance Ag/PbO/PSi/pSi/Ag heterojunction photodetector. The photodetector's responsivity was 0.7 A/W at 850 nm. The maximum detectivity and quantum efficiency spectra 1.009 ×1013 at 850 nm and 3×102 at 200nm which indicates that PbO NPs made using this technique have a good chance of being used to create porous silicon photodetectors with high performance heterojunctions.
{"title":"Fabrication of lead oxide nanoparticles by green synthesis method for photovoltaic applications","authors":"A. A. Salih, W. K. Abad, S. A. Fadaam, B. H. Hussein","doi":"10.15251/djnb.2023.184.1225","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1225","url":null,"abstract":"PbO NPs have been prepared by green synthesis. The diffraction patterns of α-PbO-NPs are shown by the XRD pattern, and the β-PbO-NPs have proven the tetragonal and orthorhombic structure. PbO has an optical energy gap of 4.2 eV. The FT-IR observed bond at 676 cm-1 attributed to the existence of PbO stretch. Nanoparticals with spherical and semi-spherical shapes are formed, as seen in the SEM image. The average particle size was under 100 nm. Fabrication and characterization of a high performance Ag/PbO/PSi/pSi/Ag heterojunction photodetector. The photodetector's responsivity was 0.7 A/W at 850 nm. The maximum detectivity and quantum efficiency spectra 1.009 ×1013 at 850 nm and 3×102 at 200nm which indicates that PbO NPs made using this technique have a good chance of being used to create porous silicon photodetectors with high performance heterojunctions.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136132946","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 : 2023-10-30DOI: 10.15251/djnb.2023.184.1305
S. A. Aldaghfag, M. Ishfaq, S. Saleem, M. Yaseen, M. Zahid, M. Shaheen
Density functional theory (DFT) based calculations are performed to study the physical features of Mn doped KNbO3. The spin resolved electronic band structure (BS) and density of states (DOS) are investigated that confirmed the half-metallic ferromagnetic (HMFM) character at x=12.5 and 25% Mn concentration. The energy gap of pure KNbO3 is found to majority influenced by Mn-3d states which introduces new states in the vicinity of Fermi level. The optical features (dielectric function, absorption coefficient, extinction coefficient, refractive index and optical conductivity) are examined to further reveal the role of Mn doping on the KNbO3 compound for optical devices. Finally in magnetic properties, the total magnetic moment of 2.98 and 3.68 μB which is mainly originated from Mn-3d along with weak contribution from K, Nb, and O. Results revealed that KMnxNb1-xO3 compound is a favorable candidate for optoelectronics and spintronics gadgets applications.
{"title":"Insight into electronic, magnetic and optical properties of KMnxNb1-xO3 compound","authors":"S. A. Aldaghfag, M. Ishfaq, S. Saleem, M. Yaseen, M. Zahid, M. Shaheen","doi":"10.15251/djnb.2023.184.1305","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1305","url":null,"abstract":"Density functional theory (DFT) based calculations are performed to study the physical features of Mn doped KNbO3. The spin resolved electronic band structure (BS) and density of states (DOS) are investigated that confirmed the half-metallic ferromagnetic (HMFM) character at x=12.5 and 25% Mn concentration. The energy gap of pure KNbO3 is found to majority influenced by Mn-3d states which introduces new states in the vicinity of Fermi level. The optical features (dielectric function, absorption coefficient, extinction coefficient, refractive index and optical conductivity) are examined to further reveal the role of Mn doping on the KNbO3 compound for optical devices. Finally in magnetic properties, the total magnetic moment of 2.98 and 3.68 μB which is mainly originated from Mn-3d along with weak contribution from K, Nb, and O. Results revealed that KMnxNb1-xO3 compound is a favorable candidate for optoelectronics and spintronics gadgets applications.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"15 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136132639","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 : 2023-10-30DOI: 10.15251/djnb.2023.184.1315
H. Menasra, Z. Necira, K. Bounab, C. Benbrika, L. Smaili
The abbreviated composite Bi4Ti3O12/ZnWO4 (BIT/ZW) was produced using the molten salt technique at 800°C. The impact of isothermal annealing time, in the second step, on the structural, morphological, and photocatalytic properties was investigated. X-ray diffraction (XRD) confirmed the formation of composites with varying proportions (76.8% BIT, 20.2% ZW), (71% BIT, 22.8% ZW), and (56.4% BIT, 36.6% ZW) at annealing times of 4, 6, and 8 hours at 950°C, respectively. A minor amount of pyrochlore phases (<7%) was observed. Increasing the annealing time affected the crystallinity of the composites. The crystallite size and grain size of BIT and ZnWO4 decreased with longer annealing times, leading to a reduction in the band gap from 2.95 to 2.83 eV. The composite (76.8% BIT, 20.2% ZW) exhibited photocatalytic activity that was two times higher for degrading methylene blue (MB) in the dark compared to the other composites, but showed an improvement in degradation under solar irradiation from 70% to 72.18%. The results indicate that annealing isothermal time can effectively modify the properties of the composites, creating a proven heterojunction between BIT and ZnWO4.
{"title":"Influence of the isothermal annealing time on structural morphological, and photocatalytic characters of BiT/ZnWO4 composite","authors":"H. Menasra, Z. Necira, K. Bounab, C. Benbrika, L. Smaili","doi":"10.15251/djnb.2023.184.1315","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1315","url":null,"abstract":"The abbreviated composite Bi4Ti3O12/ZnWO4 (BIT/ZW) was produced using the molten salt technique at 800°C. The impact of isothermal annealing time, in the second step, on the structural, morphological, and photocatalytic properties was investigated. X-ray diffraction (XRD) confirmed the formation of composites with varying proportions (76.8% BIT, 20.2% ZW), (71% BIT, 22.8% ZW), and (56.4% BIT, 36.6% ZW) at annealing times of 4, 6, and 8 hours at 950°C, respectively. A minor amount of pyrochlore phases (<7%) was observed. Increasing the annealing time affected the crystallinity of the composites. The crystallite size and grain size of BIT and ZnWO4 decreased with longer annealing times, leading to a reduction in the band gap from 2.95 to 2.83 eV. The composite (76.8% BIT, 20.2% ZW) exhibited photocatalytic activity that was two times higher for degrading methylene blue (MB) in the dark compared to the other composites, but showed an improvement in degradation under solar irradiation from 70% to 72.18%. The results indicate that annealing isothermal time can effectively modify the properties of the composites, creating a proven heterojunction between BIT and ZnWO4.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"58 5","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136133383","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 : 2023-10-30DOI: 10.15251/djnb.2023.184.1249
Y. Yusof, M. D. Johan Ooi, N. Rammely
This study demonstrated a rapid method of producing PtPd via chemical reduction by varying metal composition and types of capping agents. The effect of different compositions between the two-metal precursor, Pt and Pd, is invested by tuning at various volume ratios of 3:1, 1:3, and 1:1 and comparing them with their single counterparts. The FESEM results show that all prepared samples exhibit nanosponges structure. PtPd of 1:1 ratio has the highest ECSA of 14.25 m2 /g, while PtPd with PVP exhibits a high ECSA value of 692.7 m2 /g compared to those without capping agent (287.8 m2 /g), indicating large active sites, which increases its catalytic function.
{"title":"Tuning the properties of PtPd nanoparticles by varying metal composition and capping agents","authors":"Y. Yusof, M. D. Johan Ooi, N. Rammely","doi":"10.15251/djnb.2023.184.1249","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1249","url":null,"abstract":"This study demonstrated a rapid method of producing PtPd via chemical reduction by varying metal composition and types of capping agents. The effect of different compositions between the two-metal precursor, Pt and Pd, is invested by tuning at various volume ratios of 3:1, 1:3, and 1:1 and comparing them with their single counterparts. The FESEM results show that all prepared samples exhibit nanosponges structure. PtPd of 1:1 ratio has the highest ECSA of 14.25 m2 /g, while PtPd with PVP exhibits a high ECSA value of 692.7 m2 /g compared to those without capping agent (287.8 m2 /g), indicating large active sites, which increases its catalytic function.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"63 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136133382","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 : 2023-10-30DOI: 10.15251/djnb.2023.184.1179
T. Xaba, P. M. Shumbula, S. Nyembe, P. Tetyana
A primary amine, salicylaldehyde and copper salt were combined to prepare the bis(Nbenzyl-salicydenaminato)copper (II) complex. The copper (II) complex was then used as a precursor to synthesize mixed phase morphological copper oxide nanoparticles via thermal decomposition method using trioctylphosphine oxide as a capping molecule at different temperatures of 120, 180, and 240 ºC. The XRD patterns of copper oxide nanoparticles synthesized at lower temperatures exhibit a mixture of monoclinic structure of CuO whereas the nanoparticles synthesized at higher temperature reveals the peaks that are attributed to mainly face-centered-cubic metallic Cu. The TEM images showed spherical particles that were increasing in sizes when the temperature was raised.
{"title":"Synthesis of mixed phase morphologies of copper oxide nanoparticles using bis(n-benzyl-salicydenaminato)copper(II) as a precursor","authors":"T. Xaba, P. M. Shumbula, S. Nyembe, P. Tetyana","doi":"10.15251/djnb.2023.184.1179","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1179","url":null,"abstract":"A primary amine, salicylaldehyde and copper salt were combined to prepare the bis(Nbenzyl-salicydenaminato)copper (II) complex. The copper (II) complex was then used as a precursor to synthesize mixed phase morphological copper oxide nanoparticles via thermal decomposition method using trioctylphosphine oxide as a capping molecule at different temperatures of 120, 180, and 240 ºC. The XRD patterns of copper oxide nanoparticles synthesized at lower temperatures exhibit a mixture of monoclinic structure of CuO whereas the nanoparticles synthesized at higher temperature reveals the peaks that are attributed to mainly face-centered-cubic metallic Cu. The TEM images showed spherical particles that were increasing in sizes when the temperature was raised.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"58 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136133384","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 : 2023-10-30DOI: 10.15251/djnb.2023.184.1187
A.K. Sameer, M.N. Jasim, M.T. Hussein
In the present work, the ternary compound MgxZn7-x O7Wurtzoid with variable Zn and Mg contents was analyzed using density functional theory with B3LYP 6-311G**basis set. The electronic and vibrational properties of MgxZn7-xO7 wurtzoids, were investigated, including energy gaps, bond lengths, spectral properties, such like infrared spectra and Raman. IR and Raman spectra were compared with experimental longitudinal optical modes frequency results. The theoretical results agree well with experiments and previous data. It has been found that the energy gap is increasing with the increased Mg concentration, and that the longitudinal optical position exposes a UV shift movement with an increase in the concentration.
{"title":"Concentration effect on the vibrational and electronic properties of MgXZn7-XO7 wurtzoids nanostructure via DFT","authors":"A.K. Sameer, M.N. Jasim, M.T. Hussein","doi":"10.15251/djnb.2023.184.1187","DOIUrl":"https://doi.org/10.15251/djnb.2023.184.1187","url":null,"abstract":"In the present work, the ternary compound MgxZn7-x O7Wurtzoid with variable Zn and Mg contents was analyzed using density functional theory with B3LYP 6-311G**basis set. The electronic and vibrational properties of MgxZn7-xO7 wurtzoids, were investigated, including energy gaps, bond lengths, spectral properties, such like infrared spectra and Raman. IR and Raman spectra were compared with experimental longitudinal optical modes frequency results. The theoretical results agree well with experiments and previous data. It has been found that the energy gap is increasing with the increased Mg concentration, and that the longitudinal optical position exposes a UV shift movement with an increase in the concentration.","PeriodicalId":11233,"journal":{"name":"Digest Journal of Nanomaterials and Biostructures","volume":"58 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136133385","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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