{"title":"Effect of synthesis temperature on the structure and optical properties of Zn-doped CdS nanoparticles","authors":"Vishakha Zimba, Abhishek Biswal, Jhasaketan Nayak","doi":"10.1007/s12034-024-03285-2","DOIUrl":"10.1007/s12034-024-03285-2","url":null,"abstract":"<div><p>Zinc-doped CdS nanoparticles have gained significant attention due to their tunable optical properties. Substitution of CdS with higher band gap Cd<sub><i>x</i></sub>Zn<sub>1-<i>x</i></sub>S alloys has resulted in a reduction of the window absorption losses and an enhancement of the short circuit current. It is a potential material for solar cell applications surpassing the efficiency of pure CdS and ZnS. In our work, nanostructures of undoped and Zn-doped CdS were synthesized via the hydrothermal method with varying reaction temperatures. Structural properties were analysed using XRD patterns of the samples, which indicated the successful formation of hexagonal crystal structures of CdS nanoparticles. FESEM images further confirm these results and show the formation of CdS particles in the nano regime. Results of the optical characterization techniques, namely UV–Vis diffuse reflectance spectroscopy, suggest that in the case of Zn-doped CdS samples there is an increase in the band gap value due to the formation of Cd<sub><i>x</i></sub>Zn<sub>1-<i>x</i></sub>S. Photoluminescence studies of the doped and undoped samples indicate a blue shift of the band edge luminescence due to Zn doping, while variation in peak positions is observed with changes in the synthesis temperatures. The intensity ratio (i.e., ratio between band edge luminescence and defect luminescence) is enhanced with an increase in synthesis temperature; this defect luminescence is attributed to the formation of CdO acceptor levels. Raman spectra of the samples show vibrational modes of the doped and undoped samples. Here, the blue shift observed is attributed to the incorporation of zinc atoms in the CdS lattice.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208491","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}
{"title":"Role of graphene on thermal properties of Al/MnO2 nano-thermite system","authors":"Karan Roy, Vimal Sharma","doi":"10.1007/s12034-024-03264-7","DOIUrl":"10.1007/s12034-024-03264-7","url":null,"abstract":"<div><p>MnO<sub>2</sub> nano-powder has a unique thermal decomposition process compared to that of other metal oxides owing to their high diffusive property. Samples of Al/MnO<sub>2</sub>/graphene nano-thermite were synthesized using physical mixing at low temperatures to investigate the thermal properties. Different samples were synthesized by varying the content of graphene and keeping the amounts of Al and MnO<sub>2</sub> fixed in the thermite. The prepared thermite samples are characterized using techniques, namely DSC, TGA, FESEM, EDS, XRD and Raman spectroscopy. This article deals with the study of heat release in Al/MnO<sub>2</sub> nano-thermite samples when reinforced with graphene. The maximum heat release of 1151 J g<sup>–1</sup> is observed for the nano-thermite sample with 2.5 wt% of graphene. This measured value of heat release is approximately 25% of the theoretical value, i.e., 4 kJ g<sup>–1</sup>.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208490","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}
{"title":"Vermillion light-emitting Gd2–xSmxO3 nanophosphors with 99% colour purity for warm light applications","authors":"K K Fairoosa, K M Nissamudeen","doi":"10.1007/s12034-024-03298-x","DOIUrl":"10.1007/s12034-024-03298-x","url":null,"abstract":"<div><p>Vermillion (reddish-orange) emitting Sm<sup>3+</sup>-doped Gd<sub>2</sub>O<sub>3</sub> nanophosphors with colour purity of 99% have been successfully synthesized by using a facile low-temperature solution combustion method. The influence of Sm<sup>3+</sup> concentration and annealing temperature on structural and optical properties has been studied in detail. The XRD studies confirm that the as-synthesised samples crystallize in multiphase, while a cubic phase is formed by annealing the samples at a temperature above 773 K. An FTIR study was carried out for compositional analysis. Diffuse reflectance profiles were used to measure the bandgap energies and the values were observed to be around 5 eV. Spherical-shaped morphology was confirmed by scanning electron microscopy image. Upon UV excitation of 260 nm, typical emission of Sm<sup>3+</sup> ion associated with <sup>4</sup>G<sub>5/2</sub> → <sup>6</sup>H<sub><i>J</i></sub> transitions (<i>J</i> = 5/2, 7/2, 9/2, 11/2) are seen, with the major emission peak being at 610 nm. The optimal doping concentration is 1 wt%. The lifetime value is about 0.75 ms. The CIE 1931 chromaticity diagram is used to specify the luminescence colour of the prepared samples. The colour coordinates range within the reddish-orange region, and the CCT value is less than 5000 K. These findings suggest that the incorporation of Sm<sup>3+</sup> into Gd<sub>2</sub>O<sub>3</sub> as a dopant holds promise for serving as reddish-orange emitting phosphor for warm white applications.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141924739","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}
Sajad A Bhat, Reyaz Ahmad, Meniak Khajuria, Pankaj Biswas
{"title":"Surface and spectral investigations of NaCaVO4:Tb3+: a green component phosphor for WLEDs","authors":"Sajad A Bhat, Reyaz Ahmad, Meniak Khajuria, Pankaj Biswas","doi":"10.1007/s12034-024-03252-x","DOIUrl":"10.1007/s12034-024-03252-x","url":null,"abstract":"<div><p>The successful preparation of Tb<sup>3+</sup>-doped NaCaVO<sub>4</sub> green-emitting phosphor powders via combustion synthesis is presented in this report. X-ray diffraction technique was used to confirm the orthorhombic phase of the prepared samples. Modified Debye–Scherrer analysis was employed for calculating crystallite size. Using X-ray photoelectron spectroscopy, the elemental composition and oxidation states of several elements present in the sample were examined. Four emission bands were identified using photoluminescence spectroscopy, and the strongest band located at 545 nm due to the transition <sup>5</sup>D<sub>4</sub>→<sup>7</sup>F<sub>5</sub> is ascribed to green emission out of the phosphor material with enhanced colour purity when excited by near-UV. Using diffuse reflectance spectra, optical parameters including bandgap, metallization criterion and refractive index were also calculated for all concentrations of Tb<sup>3+</sup> ions (ranging from <i>x</i> = 0–0.055). For the optimum molar concentration, numerical values of these parameters were estimated to be 3.41 eV, 0.412 and 2.294. Based on the above findings, it was concluded that the title phosphor may be explored as green-emitting component near-UV pumped phosphor for white light-emitting diodes.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141932386","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}
Anupam Yadav, Wurood J Rajab, Wadi B Alonazi, Aiman Mohammed Baqir Al-Dhalimy, A H Shather, Abdullah Hasan Jabbar, Alaa A Omran, Majli Nema Hawas, Ahmed Elawady
{"title":"OsO4 detection by a Ni-decorated boron nitride nanocluster: a density functional theory study","authors":"Anupam Yadav, Wurood J Rajab, Wadi B Alonazi, Aiman Mohammed Baqir Al-Dhalimy, A H Shather, Abdullah Hasan Jabbar, Alaa A Omran, Majli Nema Hawas, Ahmed Elawady","doi":"10.1007/s12034-024-03247-8","DOIUrl":"10.1007/s12034-024-03247-8","url":null,"abstract":"<div><p>In this research study, the ability of a boron nitride nanocluster (hereafter B<sub>24</sub>N<sub>24</sub> NC) to detect osmium tetroxide (hereafter OT) after the decoration of Ni into the B<sub>24</sub>N<sub>24</sub> is investigated through the density functionals B3LYP, M06-2X and B97D. The results revealed that the interaction of the pure B<sub>24</sub>N<sub>24</sub> was a physical adhesion or adsorption and the sensing response (SR) of B<sub>24</sub>N<sub>24</sub> is approximately 5.2. The adsorption energy of OT becomes more negative by changing from −5.0 to −20.9 kcal mol<sup>−1</sup> after the decoration of the Ni metal on the surface of B<sub>24</sub>N<sub>24</sub>, which also leads to a noticeable increase in the corresponding SR to 76.2, indicating that the sensitivity of Ni-decorated B<sub>24</sub>N<sub>24</sub> (Ni@B<sub>24</sub>N<sub>24</sub>) is increased. Based on energy decomposition analysis, the nature of the interaction between OT and Ni@B<sub>24</sub>N<sub>24</sub> is mostly an electrostatic cation–lone pair interaction. The theoretically obtained results further confirmed that Ni@BN-based nanostructures can be used for practical purposes.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141932380","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}
R B Patil, A D Yadav, R Gurav, A S Patil, S S Mali, S M Pawar, S P Patil
{"title":"Effect of hydrothermal temperature variation on electrochemical performance of manganese oxide thin films for supercapacitor application","authors":"R B Patil, A D Yadav, R Gurav, A S Patil, S S Mali, S M Pawar, S P Patil","doi":"10.1007/s12034-024-03231-2","DOIUrl":"10.1007/s12034-024-03231-2","url":null,"abstract":"<div><p>In the present work, α-MnO<sub>2</sub> thin films are deposited on a stainless steel substrate using the hydrothermal method by varying hydrothermal temperature. The impact of different hydrothermal temperatures on the structural, morphological and electrochemical performance of prepared thin films is investigated. The XRD studies confirm the tetragonal crystal structure of prepared MnO<sub>2</sub> thin films. The electrochemical behaviour was studied using three-electrode system in 1 M KOH electrolyte. The high electrochemical performance with a maximum specific capacitance of 442 F g<sup>−1</sup> at a scan rate 5 mV s<sup>−1</sup> and energy density of 62 Wh kg<sup>−1</sup> at a power density of 5.2 kW kg<sup>−1</sup> has been obtained. The specific capacitance shows 90% capacitance retention after 2000 GCD cycles.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141932381","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}
{"title":"Natural polymer electrolyte based on guar gum doped with NaI for Na-ion batteries","authors":"K Thrisha, R Saratha","doi":"10.1007/s12034-024-03260-x","DOIUrl":"10.1007/s12034-024-03260-x","url":null,"abstract":"<div><p>Solid polymer electrolytes play a vital role in energy storage devices, especially in the battery industry, to improve compatibility and portability. Natural polymers made from biowaste material are biodegradable and have been utilized for electrolyte preparation. Biopolymer-based electrolyte leads to sustainability due to their low cost, eco-friendly nature and non-toxicity. This work pertains to the preparation of one such natural polymer electrolyte based on guar gum as the host polymer, sodium iodide as an ionic dopant and 1,2 dimethoxy ethane as the plasticizer. Traditional Solution casting technique has been used for the preparation of electrolytes. The complexation between guar gum (GG) and NaI has been revealed by Fourier transform infrared spectra. The biopolymer electrolyte is stable up to 300–350°C and was assessed by thermogravimetric analysis. The surface roughness factor (<i>R</i><sub>a</sub>) was measured by 3D-optical profilometry. The transference number was determined by the chronoamperometry technique. AC impedance spectroscopy exhibited that the biopolymer electrolyte containing 0.4 g GG: 0.75 wt% NaI has the highest ionic conductivity of 7 × 10<sup>–3</sup> S cm<sup>–1</sup>. Hence with suitable electrodes, the prepared electrolyte may be used in the fabrication of coin cells.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141932382","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}
S Mazrou, H Gallouze, R Ben Sadok, A Munoz, O Baaloudj, N Nasrallah, D E Akretche
{"title":"Coprecipitation synthesis, characterization and density functional theory study of CaX2O4 (X: Al, Cr) spinel nanocrystallites","authors":"S Mazrou, H Gallouze, R Ben Sadok, A Munoz, O Baaloudj, N Nasrallah, D E Akretche","doi":"10.1007/s12034-024-03255-8","DOIUrl":"10.1007/s12034-024-03255-8","url":null,"abstract":"<div><p>Spinel oxides are a type of material that can be used in a wide range of applications, such as photocatalysis, hydrogen production and environmental protection. In this respect, calcium aluminate (CaAl<sub>2</sub>O<sub>4</sub>) and chromate (CaCr<sub>2</sub>O<sub>4</sub>) spinels were synthesized in this study by the coprecipitation method using potash solution as a precipitant. CaAl<sub>2</sub>O<sub>4</sub> and CaCr<sub>2</sub>O<sub>4</sub> spinels were annealed at 900 and 1100°C, respectively, for different periods. The obtained spinels were first characterized by thermal analysis, and the phase composition of the oxides was analysed using X-ray diffraction. Hydroxyl groups and absorbed water in the obtained precipitates disappeared after calcination and were observed via Fourier transform infrared spectroscopy. BET and SEM/EDS analyses were also used to determine the total surface area of the powder particles, the size of the grains and the morphology of the powders of the synthesized nanoparticles, respectively. The structural and morphological analyses revealed the formation of single-phase CaAl<sub>2</sub>O<sub>4</sub> and dual-phase CaCr<sub>2</sub>O<sub>4</sub>, with specific surfaces for each spinel of 44.2165 and 5.7190 m<sup>2</sup> g<sup>−1</sup>, respectively. Moreover, DFT calculations were performed on the materials, and the direct bandgaps of these spinels were found to be 4.365 eV for CaAl<sub>2</sub>O<sub>4</sub> and 2.256 eV for CaCr<sub>2</sub>O<sub>4</sub>. The results indicated that different compositions led to different optical bandgaps. Finally, the results indicate that due to the suitable characteristics and properties of the produced spinel oxides, they are among the promising materials that may be employed as semiconductors for various applications.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141932383","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}
{"title":"Few-layered graphene production utilizing ultrasonic probe with simulations for optimization of geometrical parameters","authors":"Sayed Waliulhaq Mushfiq, Reza Afzalzadeh","doi":"10.1007/s12034-024-03296-z","DOIUrl":"10.1007/s12034-024-03296-z","url":null,"abstract":"<div><p>Many researchers are working on graphene production at a cost-effective level with less number of layers and lower defects. To achieve this goal, this research is performed by numerical and experimental methods to optimize graphene production utilizing sonication via a probe in a liquid medium. Theoretical prediction of the pressure distribution in a liquid medium can aid in the easier optimization of geometry and operating parameters. This liquid-phase-exfoliation study includes a parametric investigation of alter in; the probe diameter (<i>D</i><sub>P</sub>), the probe immersion depth (<i>d</i>) and the cylindrical reactor geometry. The numerical simulation is validated by experiments studied by sonicating graphite powder in a water–ethanol medium to produce graphene. From a comparison between simulation and experimentation, our results from the UV–visible spectra, FESEM, TEM images and Raman spectrum indicate that the bilayer graphene is produced in this experimentation. Sonicating graphite in a cylindrical reactor by the ratio of height <i>H</i> to diameter <i>D</i> of the cylinder being 2 with a probe of 40 mm in diameter, the probe immersion depth of 15 mm, results in the production of pure graphene with minimum defect bilayer. This happens when the simulation shows that maximum differential pressure (Δ<i>p</i>) in the solution has reached.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141932384","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}
Prachi Diwakar, Aditi Upadhyaya, Anjali Yadav, Saral K Gupta, C M S Negi
{"title":"Optoelectronic performance of MAPbI3:PCBM bulk heterojunction photodetectors","authors":"Prachi Diwakar, Aditi Upadhyaya, Anjali Yadav, Saral K Gupta, C M S Negi","doi":"10.1007/s12034-024-03207-2","DOIUrl":"10.1007/s12034-024-03207-2","url":null,"abstract":"<div><p>Organometallic halide perovskites have shown significant promise for applications in optoelectronics and photovoltaics in recent years. This research looks into the performance of bulk heterojunction-based photodetectors (PDs) based on the active layer of a CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>:PCBM bulk heterojunction (BHJ). We assessed the impact of PCBM concentration in CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>:PCBM BHJ on the electrical performance of the PDs. We found that the BHJ PD with a 4% PCBM concentration had the strongest capability to reject noise, as demonstrated by its superior ratio of photocurrent to dark current. Moreover, the PD with a 4% PCBM concentration in the active layer outperforms pristine CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub>-based PDs in terms of optoelectronic performance, showing greater responsivity and detectivity. The improved optoelectronic performance of BHJ PD is due to increased interfacial area, higher electron extraction and a decrease in traps and defects. The analysis of dark current–voltage curves reveals a significant reduction in charge recombination for BHJ devices, supporting the elimination of traps and defects by the inclusion of PCBM. The PD’s impedance study unveils that the incorporation of PCBM enhances charge transfer and effectively suppresses charge recombination, leading to enhanced optoelectronic performance.</p></div>","PeriodicalId":502,"journal":{"name":"Bulletin of Materials Science","volume":"47 3","pages":""},"PeriodicalIF":1.9,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141932479","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}