{"title":"Photocatalytic C-H activation for C-N/C-S bond formation over highly efficient solar light active supramolecular network organogels","authors":"Geeta Srivastava, R.K. Yadav, Rehana Shahin, Shaifali Mishra, Aditya Nath Yadav, Siddharth Singh Yadav, Indra Kumari, Kamani Singh, Jin‐Ook Baeg, N. K. Gupta","doi":"10.1007/s10971-024-06410-z","DOIUrl":"https://doi.org/10.1007/s10971-024-06410-z","url":null,"abstract":"","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141370072","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 : 2024-06-08DOI: 10.1007/s10971-024-06425-6
F. Tayari, K. Nassar, M. Benamara, Sana Ben Moussa, Abdullah Yahya Abdullah Alzahrani, S. S. Teixeira, M. Graça
{"title":"Insights into dielectric and electrical conductivity dynamics in sol-gel synthesized Ba0.75Ni0.25Tc0.88Mn0.12O3 perovskite ceramic","authors":"F. Tayari, K. Nassar, M. Benamara, Sana Ben Moussa, Abdullah Yahya Abdullah Alzahrani, S. S. Teixeira, M. Graça","doi":"10.1007/s10971-024-06425-6","DOIUrl":"https://doi.org/10.1007/s10971-024-06425-6","url":null,"abstract":"","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-06-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141370187","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 : 2024-06-07DOI: 10.1007/s10971-024-06421-w
J. V. Kumar, Duraisamy Karthika, V. Arul, K. Radhakrishnan, P. Rosaiah, S. A. Aldossari, I. N. Reddy, Cheolho Bai
{"title":"Termite wings derived N-doped carbon nanodots: applications for Cu2+ sensing, fluorescent ink and flexible polymeric film","authors":"J. V. Kumar, Duraisamy Karthika, V. Arul, K. Radhakrishnan, P. Rosaiah, S. A. Aldossari, I. N. Reddy, Cheolho Bai","doi":"10.1007/s10971-024-06421-w","DOIUrl":"https://doi.org/10.1007/s10971-024-06421-w","url":null,"abstract":"","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141372228","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 : 2024-06-04DOI: 10.1007/s10971-024-06397-7
Ncamisile Nondumiso Maseko, Dirk Enke, Samuel Ayodele Iwarere, Oluwatobi Samuel Oluwafemi, Jonathan Pocock
Value added materials made from agricultural residues are very attractive since they contribute in reducing environmental waste and enhancing economic sustainability. Two deposition methods were investigated where silica xerogel from sugarcane leaves (a waste from sugarcane industry) was used as a support for the synthesized gold nanoparticles. Biogenic silica was refluxed with sodium hydroxide at 80 °C to form sodium silicate solution. The gold nanoparticles were either synthesized in the sodium silicate solution or separately to form silica/Au nanoparticles through a sol-gel method. Ultraviolet (UV)-visible spectroscopy, x-ray powder diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), x-ray fluorescence spectroscopy (XRF), energy dispersive x-ray (EDX) and nitrogen adsorption-desorption were used to characterize the produced Si/Au nanoparticles. The two investigated methods resulted in distinctive deposition of gold nanoparticles on a silica xerogel support and also significantly different textural properties. The produced silica/gold nanoparticles had a Brunauer-Emmett-Teller (BET) surface area of up to 619 m2/g, pore diameter of 8.3 nm and pore volume of 1.28 cm3.g−1.
利用农业残留物制成的增值材料非常有吸引力,因为它们有助于减少环境废物,提高经济可持续性。我们研究了两种沉积方法,其中甘蔗叶(甘蔗工业的一种废弃物)中的二氧化硅异凝胶被用作合成金纳米粒子的支撑物。生物硅石与氢氧化钠在 80 °C 下回流形成硅酸钠溶液。金纳米粒子既可以在硅酸钠溶液中合成,也可以通过溶胶-凝胶法单独合成二氧化硅/金纳米粒子。使用紫外(UV)可见光谱、X 射线粉末衍射(XRD)、透射电子显微镜(TEM)、扫描电子显微镜(SEM)、X 射线荧光光谱(XRF)、能量色散 X 射线(EDX)和氮吸附-解吸来表征生成的硅/金纳米粒子。这两种研究方法在二氧化硅 xerogel 支持物上沉积的金纳米粒子各不相同,其纹理特性也明显不同。制备的二氧化硅/金纳米粒子的布鲁纳-埃美特-泰勒(BET)表面积高达 619 m2/g,孔径为 8.3 nm,孔体积为 1.28 cm3.g-1。
{"title":"Investigation of different deposition methods for synthesized gold nanoparticles on a South African sugarcane leaves derived silica xerogel support","authors":"Ncamisile Nondumiso Maseko, Dirk Enke, Samuel Ayodele Iwarere, Oluwatobi Samuel Oluwafemi, Jonathan Pocock","doi":"10.1007/s10971-024-06397-7","DOIUrl":"https://doi.org/10.1007/s10971-024-06397-7","url":null,"abstract":"<p>Value added materials made from agricultural residues are very attractive since they contribute in reducing environmental waste and enhancing economic sustainability. Two deposition methods were investigated where silica xerogel from sugarcane leaves (a waste from sugarcane industry) was used as a support for the synthesized gold nanoparticles. Biogenic silica was refluxed with sodium hydroxide at 80 °C to form sodium silicate solution. The gold nanoparticles were either synthesized in the sodium silicate solution or separately to form silica/Au nanoparticles through a sol-gel method. Ultraviolet (UV)-visible spectroscopy, x-ray powder diffraction (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), x-ray fluorescence spectroscopy (XRF), energy dispersive x-ray (EDX) and nitrogen adsorption-desorption were used to characterize the produced Si/Au nanoparticles. The two investigated methods resulted in distinctive deposition of gold nanoparticles on a silica xerogel support and also significantly different textural properties. The produced silica/gold nanoparticles had a Brunauer-Emmett-Teller (BET) surface area of up to 619 m<sup>2</sup>/g, pore diameter of 8.3 nm and pore volume of 1.28 cm<sup>3</sup>.g<sup>−1</sup>.</p>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141256814","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}
We investigated the effect of heating rates during post-baking on the minimum resolution widths of film patterns prepared from positive-type photosensitive random-structure oligomeric silsesquioxanes (oligo-SQs) with only phenyl (Ph) or both Ph and methyl (Me) groups (Ph group content ≥50 mol%) as substituents. Previously, increasing the Me group content produced 20 μm minimum widths. This was attributed to flow, fusion, and wrinkling during post-baking at 60 °C/min, and partly attributed to enhanced silanol (Si-OH) group reactivity during early stages of post-baking. Here, film patterns for high-definition optical devices fabricated from oligo-SQs with only Ph groups, or with the highest Me group content, produced desired 10 μm widths when heated slowly at 6 °C/min or 3 °C/min, respectively. The decreased widths were attributed to reduced flowability because of enhanced Si-OH group reactivity during heating and the changes and bulkiness of the oligo-SQ molecular structure. The Si-OH reactivity may have been enhanced by the activation of molecular chain motions with increased Me group content and the lower weight-average molecular weight. Structural changes and substituent bulkiness may have also suppressed the chain motions.
{"title":"Factors controlling the performance of film patterns of cured sol-gel-derived positive-type photosensitive oligomeric silsesquioxanes with random structure","authors":"Mitsuhito Suwa, Takahiro Tanino, Manami Fujii, Masao Kamogawa, Hiromitsu Kozuka","doi":"10.1007/s10971-024-06428-3","DOIUrl":"https://doi.org/10.1007/s10971-024-06428-3","url":null,"abstract":"<p>We investigated the effect of heating rates during post-baking on the minimum resolution widths of film patterns prepared from positive-type photosensitive random-structure oligomeric silsesquioxanes (oligo-SQs) with only phenyl (Ph) or both Ph and methyl (Me) groups (Ph group content ≥50 mol%) as substituents. Previously, increasing the Me group content produced 20 μm minimum widths. This was attributed to flow, fusion, and wrinkling during post-baking at 60 °C/min, and partly attributed to enhanced silanol (Si-OH) group reactivity during early stages of post-baking. Here, film patterns for high-definition optical devices fabricated from oligo-SQs with only Ph groups, or with the highest Me group content, produced desired 10 μm widths when heated slowly at 6 °C/min or 3 °C/min, respectively. The decreased widths were attributed to reduced flowability because of enhanced Si-OH group reactivity during heating and the changes and bulkiness of the oligo-SQ molecular structure. The Si-OH reactivity may have been enhanced by the activation of molecular chain motions with increased Me group content and the lower weight-average molecular weight. Structural changes and substituent bulkiness may have also suppressed the chain motions.</p><h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141256677","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 : 2024-06-04DOI: 10.1007/s10971-024-06422-9
Mirjana Mundžić, Jelena Lazović, Minja Mladenović, Aleksandra Pavlović, Amelia Ultimo, Oliviero L. Gobbo, Eduardo Ruiz-Hernandez, Maria Jose Santos-Martinez, Nikola Ž. Knežević
A proof of principle study toward developing a novel methodology which could be applicable for a non-invasive monitoring of the release of cargo molecules from therapeutic and diagnostic nanoparticles, as well as for possible monitoring of tissue pH variations. This was achieved by quantifying changes in longitudinal relaxation time (T1) before and after the pH-responsive release of contrast agents, for magnetic resonance imaging (MRI), from the pores of mesoporous silica nanoparticles (MSNs). The pores were filled with the FDA-approved contrast agent Gadobutrol (GdB), and its retention inside the pores ensured by covalent attachment of β-cyclodextrin monoaldehyde to hydrazine-functionalized MSN, through acidification-cleavable hydrazone linkage. The release kinetics of GdB was measured by fluorescence spectroscopy which revealed that the release of the contrast agent was enhanced at pH 5.0 in comparison to the release at pH 6.0 and 7.4. Furthermore, the changes in T1, occurring in response to the enhanced release of GdB from the pores of MSN at weakly acidic conditions, were successfully demonstrated by MRI measurements. It is envisioned that this approach using contrast agent-loaded nanoparticles before the treatment with the drug-filled analogs, could be applied in the future for tracking the locations and efficacies of nanomedicines for therapeutic cargo delivery.
{"title":"MRI-based sensing of pH-responsive content release from mesoporous silica nanoparticles","authors":"Mirjana Mundžić, Jelena Lazović, Minja Mladenović, Aleksandra Pavlović, Amelia Ultimo, Oliviero L. Gobbo, Eduardo Ruiz-Hernandez, Maria Jose Santos-Martinez, Nikola Ž. Knežević","doi":"10.1007/s10971-024-06422-9","DOIUrl":"https://doi.org/10.1007/s10971-024-06422-9","url":null,"abstract":"<p>A proof of principle study toward developing a novel methodology which could be applicable for a non-invasive monitoring of the release of cargo molecules from therapeutic and diagnostic nanoparticles, as well as for possible monitoring of tissue pH variations. This was achieved by quantifying changes in longitudinal relaxation time (T<sub>1</sub>) before and after the pH-responsive release of contrast agents, for magnetic resonance imaging (MRI), from the pores of mesoporous silica nanoparticles (MSNs). The pores were filled with the FDA-approved contrast agent Gadobutrol (GdB), and its retention inside the pores ensured by covalent attachment of β-cyclodextrin monoaldehyde to hydrazine-functionalized MSN, through acidification-cleavable hydrazone linkage. The release kinetics of GdB was measured by fluorescence spectroscopy which revealed that the release of the contrast agent was enhanced at pH 5.0 in comparison to the release at pH 6.0 and 7.4. Furthermore, the changes in T<sub>1</sub>, occurring in response to the enhanced release of GdB from the pores of MSN at weakly acidic conditions, were successfully demonstrated by MRI measurements. It is envisioned that this approach using contrast agent-loaded nanoparticles before the treatment with the drug-filled analogs, could be applied in the future for tracking the locations and efficacies of nanomedicines for therapeutic cargo delivery.</p><h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141259896","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 : 2024-06-04DOI: 10.1007/s10971-024-06402-z
Hiroka Koreeda, Masanao Ishijima, Koichi Kajihara
Abstract
Tetramethoxysilane (TMOS), tetraethoxysilane (TEOS), and their mixtures were used for the cosolvent-free synthesis of macroporous silica gels as precursors for monolithic silica glasses. The liquid-state 29Si nuclear magnetic resonance (NMR) spectroscopy of precursor solutions indicated that cross-transesterification between TMOS and TEOS was completed in a few hours at 20 °C in the presence of an acid catalyst, whereas it was negligible when the catalyst was absent. In the precursor solutions prepared from TMOS, phase separation occurred after gelation, resulting in translucent gels. In contrast, in the solutions prepared from TEOS or a mixture of TMOS and TEOS at a TMOS mole fraction of 0.8, the phase separation can be induced before gelation, and opaque xerogels were easily obtained without fracture. The average size of macroscopic particles and macroporous structures were uniform over opaque xerogels prepared from TEOS. In contrast, in opaque xerogels prepared from the TMOS-rich mixture of TMOS and TEOS, the average particle size and macroscopic porosity inside them were notably smaller than those of the subsurface, probably because of a large exotherm upon gelation and the resulting temperature gradient in the gelling solutions. Such spatial morphology distribution made the sintering of the opaque gels into clear silica glasses difficult. Opaque gels prepared from TEOS and translucent gels prepared from solutions containing TMOS were transformed to clear silica glasses in high yields of ~99% by sintering in a helium atmosphere at 1050–1350 °C.
Graphical abstract
摘要 四甲氧基硅烷(TMOS)、四乙氧基硅烷(TEOS)及其混合物被用于无助溶剂合成大孔二氧化硅凝胶,作为整体二氧化硅玻璃的前驱体。前驱体溶液的液态 29Si 核磁共振(NMR)光谱显示,在有酸催化剂存在的情况下,TMOS 和 TEOS 之间的交酯化反应可在 20 °C 下的几小时内完成,而在没有催化剂存在的情况下,交酯化反应则微乎其微。在用 TMOS 制备的前体溶液中,凝胶化后会发生相分离,形成半透明凝胶。相反,在由 TEOS 或 TMOS 和 TEOS 的混合物(TMOS 的摩尔分数为 0.8)制备的溶液中,相分离可以在凝胶化之前诱导发生,并且很容易获得不透明的异凝胶而不会断裂。用 TEOS 制备的不透明 xerogels 的宏观颗粒和大孔结构的平均尺寸均匀一致。相反,在由富含 TMOS 的 TMOS 和 TEOS 混合物制备的不透明 xerogels 中,其内部的平均粒径和宏观孔隙率明显小于表层下的平均粒径和宏观孔隙率,这可能是由于凝胶化时放热较大以及胶凝溶液中的温度梯度所致。这种空间形态分布使得不透明凝胶难以烧结成透明的二氧化硅玻璃。用 TEOS 制备的不透明凝胶和用含有 TMOS 的溶液制备的半透明凝胶在 1050-1350 ℃ 的氦气环境中烧结成透明的二氧化硅玻璃,产量高达约 99%。
{"title":"Cosolvent-free sol–gel synthesis of macroporous silica gels from tetramethoxysilane–tetraethoxysilane mixtures","authors":"Hiroka Koreeda, Masanao Ishijima, Koichi Kajihara","doi":"10.1007/s10971-024-06402-z","DOIUrl":"https://doi.org/10.1007/s10971-024-06402-z","url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Tetramethoxysilane (TMOS), tetraethoxysilane (TEOS), and their mixtures were used for the cosolvent-free synthesis of macroporous silica gels as precursors for monolithic silica glasses. The liquid-state <sup>29</sup>Si nuclear magnetic resonance (NMR) spectroscopy of precursor solutions indicated that cross-transesterification between TMOS and TEOS was completed in a few hours at 20 °C in the presence of an acid catalyst, whereas it was negligible when the catalyst was absent. In the precursor solutions prepared from TMOS, phase separation occurred after gelation, resulting in translucent gels. In contrast, in the solutions prepared from TEOS or a mixture of TMOS and TEOS at a TMOS mole fraction of 0.8, the phase separation can be induced before gelation, and opaque xerogels were easily obtained without fracture. The average size of macroscopic particles and macroporous structures were uniform over opaque xerogels prepared from TEOS. In contrast, in opaque xerogels prepared from the TMOS-rich mixture of TMOS and TEOS, the average particle size and macroscopic porosity inside them were notably smaller than those of the subsurface, probably because of a large exotherm upon gelation and the resulting temperature gradient in the gelling solutions. Such spatial morphology distribution made the sintering of the opaque gels into clear silica glasses difficult. Opaque gels prepared from TEOS and translucent gels prepared from solutions containing TMOS were transformed to clear silica glasses in high yields of ~99% by sintering in a helium atmosphere at 1050–1350 °C.</p><h3 data-test=\"abstract-sub-heading\">Graphical abstract</h3>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141256812","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 : 2024-06-03DOI: 10.1007/s10971-024-06429-2
Jiefang Li, Que Kong, Dan Zhang, Zhiguang Li
Transparent hydrophobic glass materials had played an important role in our daily life, but some problems such as complex or expensive manufacturing processes, poor wear resistance and opacity limited its applications. In this paper, a composite silica sol composed of modified SiO2 nanoparticles and transparent special water-based silicone resin was prepared. An organic-inorganic hybrid coating was formed on the glass surface by a simple spraying method to produce a hydrophobic surface with high transparency and durability. Perfluorinated polyether (PFPE) chains with lower surface energy were introduced into the silica sol prepared above. The composite coatings had both the low surface energy of fluorine-containing substances and the rough structure. The surface topography, static water contact angle, self-cleaning performance, anti-fouling performance, wear resistance, adhesion performance, acid and alkali resistances of the coating were tested. The results showed that the maximum water contact angle of the prepared transparent hydrophobic glass can reach 140°. The coating had good adhesion performance, wear resistance, self-cleaning and acid resistant, but poor alkaline resistance.
{"title":"Preparation of high transparent hydrophobic glass surface and its self-cleaning property","authors":"Jiefang Li, Que Kong, Dan Zhang, Zhiguang Li","doi":"10.1007/s10971-024-06429-2","DOIUrl":"https://doi.org/10.1007/s10971-024-06429-2","url":null,"abstract":"<p>Transparent hydrophobic glass materials had played an important role in our daily life, but some problems such as complex or expensive manufacturing processes, poor wear resistance and opacity limited its applications. In this paper, a composite silica sol composed of modified SiO<sub>2</sub> nanoparticles and transparent special water-based silicone resin was prepared. An organic-inorganic hybrid coating was formed on the glass surface by a simple spraying method to produce a hydrophobic surface with high transparency and durability. Perfluorinated polyether (PFPE) chains with lower surface energy were introduced into the silica sol prepared above. The composite coatings had both the low surface energy of fluorine-containing substances and the rough structure. The surface topography, static water contact angle, self-cleaning performance, anti-fouling performance, wear resistance, adhesion performance, acid and alkali resistances of the coating were tested. The results showed that the maximum water contact angle of the prepared transparent hydrophobic glass can reach 140°. The coating had good adhesion performance, wear resistance, self-cleaning and acid resistant, but poor alkaline resistance.</p><h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141256958","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 : 2024-06-01DOI: 10.1007/s10971-024-06416-7
Ali Ahsan, Saif ur Rehman, Farman Ullah, Muhammad Tauseef Qureshi, Sameer Shaikh, Murtaza Saleem
Semiconducting Cu2O have excellent optical and electronic properties and are more promising candidates for advanced electronic applications. In the current study, pure and 3.125%, 6.25%, and 12.5% Zn doped Cu2O compositions were studied using density functional theory in the framework of wien2k-code. Experimentally, uniform and smooth thin films of these compositions were successfully synthesized through the spin coating technique. The elemental composition and morphology were studied using energy-dispersive X-ray spectroscopy and field emission scanning electron microscopy, respectively. Crystallographic analysis of thin films shows a cubic phase structure having space-group 224 Pn-3m. The total density of states confirms the overlapping of states at the Fermi level for Zn-doped compositions. The significant variations in thermoelectric parameters observed with change of temperature for pure and Zn substituted Cu2O compositions, especially the Seebeck-coefficient values vary from 2.5 × 10−4 to 5.5 × 10−5 VK−1 for these cuprous oxide compositions. The optical-parameter such as absorption and extinction coefficient curves reached maxima at the highest photon energies. The enhancement in transmittance power and reduction in the band gap energy from 2.08 eV to 1.75 eV with the substitution of Zn material enhanced the availability of these compositions for advanced applications.
{"title":"DFT and experimental investigations on ZnxCu2-xO for electronic, thermoelectric and optical applications","authors":"Ali Ahsan, Saif ur Rehman, Farman Ullah, Muhammad Tauseef Qureshi, Sameer Shaikh, Murtaza Saleem","doi":"10.1007/s10971-024-06416-7","DOIUrl":"https://doi.org/10.1007/s10971-024-06416-7","url":null,"abstract":"<p>Semiconducting Cu<sub>2</sub>O have excellent optical and electronic properties and are more promising candidates for advanced electronic applications. In the current study, pure and 3.125%, 6.25%, and 12.5% Zn doped Cu<sub>2</sub>O compositions were studied using density functional theory in the framework of wien2k-code. Experimentally, uniform and smooth thin films of these compositions were successfully synthesized through the spin coating technique. The elemental composition and morphology were studied using energy-dispersive X-ray spectroscopy and field emission scanning electron microscopy, respectively. Crystallographic analysis of thin films shows a cubic phase structure having space-group 224 <i>Pn-3m</i>. The total density of states confirms the overlapping of states at the Fermi level for Zn-doped compositions. The significant variations in thermoelectric parameters observed with change of temperature for pure and Zn substituted Cu<sub>2</sub>O compositions, especially the Seebeck-coefficient values vary from 2.5 × 10<sup>−4</sup> to 5.5 × 10<sup>−5</sup> VK<sup>−1</sup> for these cuprous oxide compositions. The optical-parameter such as absorption and extinction coefficient curves reached maxima at the highest photon energies. The enhancement in transmittance power and reduction in the band gap energy from 2.08 eV to 1.75 eV with the substitution of Zn material enhanced the availability of these compositions for advanced applications.</p><h3 data-test=\"abstract-sub-heading\">Graphical Abstract</h3>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141195377","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}