{"title":"Modeling of graphene like structure by utilizing phenanthrocarbazole for tailoring the second-order nonlinear optical properties","authors":"","doi":"10.1016/j.mssp.2024.108931","DOIUrl":"10.1016/j.mssp.2024.108931","url":null,"abstract":"<div><div>Lower band gap with excellent intramolecular charge transfer plays a pivotal role towards developing the strong nonlinear optical (NLO) properties in a molecule. In the current investigation, we have designed a series of graphene like molecules with promising organic fragments that we have strategically adjoin the phenanthrocarbazole and tetracyanobuta-1,3-dienes (TCBD) fragment. Density functional theory (DFT) approach with CAM-B3LYPP/6-311+G(d,p) were performed to evaluate the nonlinear optical properties of designed derivative. The NLO characteristics were analysed the static polarizability (α<sub>0</sub>), first order hyperpolarizabilities (β<sub>tot</sub>) and band gap. The calculated results revealed that the designed molecules have better NLO response and highest β<sub>tot</sub> were observed for molecule <strong>10 (</strong>117871 au). Time dependent density functional based theories at the same level of theory were also performed to calculate the absorption spectra. The calculated results observed that there was a red shift trend with reduced band gap of designed derivative. Further, to substantiate our finding, we have also calculated density of states (DOS), molecular electrostatic potential (MESP) and transition density matrix (TDM) at the same level of theory. As a consequence the designed derivative shed light that the efficient TCBD group with graphene like molecular system and donor group can be utilized to design new molecular motif for NLO applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142320407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Multifunctional ZnO/PVDF hybrid fiber membrane: Enhanced photocatalytic degradation performance and oil/water separation application","authors":"","doi":"10.1016/j.mssp.2024.108942","DOIUrl":"10.1016/j.mssp.2024.108942","url":null,"abstract":"<div><div>ZnO material is seriously limited in the field of photocatalysis application due to its poor stability in acid and strong alkaline solutions. In this study, a ZnO/PVDF core-shell structure membrane (CSM) was prepared by embedding ZnO nanoparticles in PVDF fibers. The obtained ZnO/PVDF CSM was used as a photocatalyst to degrade rhodamine B (RhB) dye. With the increase of ZnO content, the performance of the film increases synchronously, but it shows a saturated trend at high ZnO content. The sample with ZnO content of 9.09 wt% is the best cost-effective. In an acidic solution, the degradation efficiency of ZnO/PVDF CSM was 100 % under Xe lamp irradiation for 60 min may be caused by the acid induced decolorization effect. The membrane after acid and alkali treatment could still degrade RhB normally, and had good acid and alkali resistance. Due to the piezoelectric coupling effect between ZnO and PVDF, the photo-generated holes (h<sup>+</sup>) can transport onto the surface of PVDF nanofiber, accomplishing the photocatalytic reaction. The obtained ZnO/PVDF CSM also exhibits good recyclable performance with high stability. In addition, ZnO/PVDF CSM can also be used for water-in-oil separation. This work provides a promising strategy for the development and improvement of ZnO based composite material in acid solution.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142320406","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Efficient photocatalytic degradation of tetracycline by Z-scheme ZnWO4/Bi5O7I heterojunction","authors":"","doi":"10.1016/j.mssp.2024.108935","DOIUrl":"10.1016/j.mssp.2024.108935","url":null,"abstract":"<div><div>In this work, Z-scheme ZnWO<sub>4</sub>/Bi<sub>5</sub>O<sub>7</sub>I photocatalysts were synthesized by a simple hydrothermal preparation. It exhibited excellent photocatalytic activity under visible-light irradiation. A total of 96.8 % of tetracycline was degraded within 60 min. The high stability and reusability of the prepared ZnWO<sub>4</sub>/Bi<sub>5</sub>O<sub>7</sub>I heterojunction photocatalysts were demonstrated by ten successive cycling experiments. The hole and superoxide radicals were confirmed to be the primary species responsible for the photocatalytic breakdown of tetracycline based on radical trapping experiments and electron spin resonance analysis. The formation of a Z-scheme heterojunction between ZnWO<sub>4</sub> and Bi<sub>5</sub>O<sub>7</sub>I was demonstrated. The photocatalytic activity was boosted by the heterostructure, which had a well-matched energy band structure and improved photogenerated charge migration and separation. This work provides a new method to remove pollutants from water.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142320405","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Role of cerium dopant in tuning the semiconductor-to-metal transition properties of magnesium zinc ferrite nanomaterials","authors":"","doi":"10.1016/j.mssp.2024.108950","DOIUrl":"10.1016/j.mssp.2024.108950","url":null,"abstract":"<div><div>In this research work, Magnesium zinc ferrite (Ce<sub>x</sub>MgZn<sub>1-x</sub>Fe<sub>2</sub>O<sub>4</sub>) nanomaterials have been synthesized with various cerium concentrations (x = 0, 0.05, 0.1, 0.15) using the coprecipitation method. With no deformation as per structural analysis, cerium ions are doped in the spinel lattice of MgZnFe<sub>2</sub>O<sub>4</sub> nanomaterials. The undoped MgZnFe<sub>2</sub>O<sub>4</sub> with initial flake-like morphology is changed to cube-like shapes upon Ce (x = 0.15) addition. The DC resistivity exhibits a varying pattern in both ferromagnetic and paramagnetic regions as temperature increases. Furthermore, the samples with x = 0.15 exhibit a high resistivity on the order of 1.09∗10<sup>10</sup> Ω cm, and an activation energy of 0.909 eV. The dielectric properties, such as dielectric constant, dielectric losses, and impedance, exhibit a progressive drop as the frequency increases from 1 MHz to 2 MHz. Furthermore, dielectric parameters reach their lowest value in the dopant x = 0.1. The highest Q values for x = 0.05 and 0.15 indicate that the mentioned materials are most suitable for use in high-frequency devices, likewise multi-layer chip inductors and resonant circuits. Growth inhibition of two types of bacterial extracts (<em>E.Coli</em> and <em>S. aureus</em>) has been studied. Results revealed MgZnFe<sub>2</sub>O<sub>4</sub> enhanced growth inhibition against <em>S. aureus</em> bacteria with increasing Ce concentration, however, inhibition of <em>E. Coli</em> is hampered (50 % at maximum) by Ce incorporation into ferrite lattice.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142312917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Amended multimodal optical properties of Dy3+ for Latent wLED and high-security fluorescence anti-counterfeiting ink","authors":"","doi":"10.1016/j.mssp.2024.108947","DOIUrl":"10.1016/j.mssp.2024.108947","url":null,"abstract":"<div><div>Double perovskites of diyttrium magnesium titanate are synthesized by low-temperature combustion method at 1173 K - 4 h, marking a decrease in thermal budget 625 K - 5 h with conventional practice. From the UV–visible spectra, the bandgap is obtained as 3.653 eV. A series of Dy<sup>3+</sup> ions are doped in the crystal lattice giving pure white emission at 353 nm excitation and red emission at 980 nm excitation. The crystal structure is confirmed by FESEM and Raman analysis. The optimal 2 wt% elemental doping is inveterate from the XPS analysis whereas the phosphors remain stable under extreme thermal conditions, realized from the TGA. Further monovalent Li<sup>+</sup>, divalent Sr<sup>2+</sup>, or trivalent Sm<sup>3+</sup> ions are co-doped in the crystal matrix, which chiefly enhances the crystalline, optical, and luminescence properties for Li<sup>+</sup> sensitization. These CIE parameters are amended to ideal white light with coordinates (0.326, 0.333), color temperature of 5819 K, and color purity of 2.5 %, signifying a novel ideal white light emission. Anti-counterfeit inks are prepared using PVA due to the red emission of the phosphor under NIR excitation, distinctive for double wavelength fluorescence printing ink technique to tackle serious counterfeiting.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142315812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Influence of post-annealing treatment on the performance of perovskite solar cells with different hole transport layers","authors":"","doi":"10.1016/j.mssp.2024.108941","DOIUrl":"10.1016/j.mssp.2024.108941","url":null,"abstract":"<div><div>The performance of perovskite solar cells (PSCs) is one of the key factors influencing their industrialization and market competitiveness. In this paper, post-annealing treatment, which is an effective and simple method, was used to enhance the performance of PSCs. PSCs with different hole transport layer (HTL) were prepared, and the effect of post-annealing treatment on the performance of PSCs was investigated. The results showed that post-annealing treatment could enhance the carrier extraction ability of HTL, reduce the defects in the perovskite layer, decrease non-radiative recombination, and effectively improve the device performance when PTAA was included in the HTL. After annealing treatment, it was found that the PCSs with NiO<sub>x</sub>/PTAA as the transport layer, the champion device of PSCs can achieve a PCE of 21.21 %. Compared to devices using only NiO<sub>x</sub> and PPAA as hole transport layers, the PCE increased by 36.9 % and 3 %, respectively. Meanwhile, when using NiO<sub>x</sub>/PTAA as the transport layer, compared to devices without annealing treatment, the PCE increased from 17.95 % to 21.21 %, resulting in an 18.2 % enhancement. The obtained results in this work can provide an important theoretical basis for researchers to understand the physical mechanism of post-annealing treatment on device performance and fabricate perovskite solar cells with high-performance.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142312366","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Advances in carbon quantum dot applications:Catalysis, sensing, and biomedical innovations","authors":"","doi":"10.1016/j.mssp.2024.108945","DOIUrl":"10.1016/j.mssp.2024.108945","url":null,"abstract":"<div><div>Carbon Quantum Dots (CQDs) are an interesting group of nanomaterials known for their unique visual qualities, high biocompatibility, and wide range of surface functions. This review discusses the latest progress made in making CQDs, characterizing them, and using them differently. Innovations in synthetic strategies have led to enhanced control over size, surface structure, and photoluminescence properties, enabling tailored functionalities for specific applications. Key developments in bioimaging and biosensing demonstrate CQDs' potential for high-resolution, non-toxic imaging and sensitive detection of biomolecules. Because they have a lot of surface area and can change their surface chemistry, CQDs have shown promise in environmental science for finding and getting rid of pollutants. In addition, adding them to devices that store and change energy, like solar cells and supercapacitors, has made them more stable and efficient. This review also explores emerging applications in drug delivery, photocatalysis, and optoelectronics, underscoring the vast potential of CQDs in addressing current technological challenges. Future research directions are proposed to overcome the current limitations and expand the application scope of colloidal QDs in various applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142312358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Enhanced moisture resistance performance of CsPbBr3 quantum dots through synergetic encapsulation with In3+ ions and polymer","authors":"","doi":"10.1016/j.mssp.2024.108949","DOIUrl":"10.1016/j.mssp.2024.108949","url":null,"abstract":"<div><div>Perovskite gas sensors have a very broad market prospect and application potential due to their attractive gas sensing performance and low manufacturing cost. However, the current environmental stability of perovskites is a major challenge that hinders their widespread application. In this study, Perovskite quantum dots (PQDs) were prepared by a simple room-temperature synthesis method and modified with a ligand In(Acac)<sub>3</sub> to passivate their surface defects. Ethylene-vinyl acetate (EVA) was added to protect the QDs from oxygen and moisture. The effect of EVA contents on the sensor performance was investigated. At the optimal ratio of 3 % EVA, the sensor exhibited a response sensitivity of 0.25–80 ppm CH<sub>3</sub>OH gas at room temperature (RT) and the detection limit was around 3 ppm, with a stability of over 40 days. Compared to the CsPbBr<sub>3</sub> sensor, the CsPbBr<sub>3</sub>-In/EVA sensor showed a significant improvement in the gas-sensitive response and persistence. The device can resist the interference of wet gas effectively and maintained sensitivity even at 90 % RH, solving the problem of poor moisture resistance of current PQDs. This dual strategy contributes to the advancement of more precise and durable sensing solutions, addressing a critical need in the field.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142312916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"High response MSM UV photodetectors based on MgZnO/MnS heterojunction","authors":"","doi":"10.1016/j.mssp.2024.108946","DOIUrl":"10.1016/j.mssp.2024.108946","url":null,"abstract":"<div><div>Ultraviolet (UV) photodetectors (PDs) are favored for their wide range of applications. In this work, MgZnO/MnS composite films were prepared on quartz glass by sol-gel and successive ionic layer adsorption and reaction (SILAR) methods for UV photodetection. Compared with MgZnO device, the MgZnO/MnS device overcomes the drawbacks of lower carrier mobility and more traps in the original MgZnO photosensitive layer, and has ultrahigh responsivity and detectivity (4564.5 A/W, 1.7 × 10<sup>16</sup> Jones), high photocurrent (up to 1.8 × 10<sup>−3</sup> A), lower dark current (down to 8.8 × 10<sup>- 10</sup> A) and high light-dark ratio (up to about 8 × 10<sup>5</sup>), which is attributed to the formation of a p-n junction by the contact between MgZnO and MnS, resulting in the establishment of an internal electric field to serve as a depletion layer. The built-in electric field consumes most of the carriers so that the device exhibits a low conductivity, and MnS fills up some of the defects on the surface of the MgZnO, which results in a low dark current. Under UV radiation, photogenerated carriers are separated by built-in electric field, leading the recombination of electron-hole pairs decrease. This causes the device show high conductivity and generate high photocurrent. These results make MgZnO/MnS PDs promising for applications in device requiring high responsivity.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142312915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Enhanced in-situ piezoelectric properties and thermal stability of lead-free BiFeO3-BaTiO3 ceramics by local structural heterogeneity","authors":"","doi":"10.1016/j.mssp.2024.108948","DOIUrl":"10.1016/j.mssp.2024.108948","url":null,"abstract":"<div><div>In perovskite-structure Bi-based piezoelectric ceramics, an increase in the actual operating temperature is usually accompanied by a sharp deterioration of the piezoelectric constant (<em>d</em><sub>33</sub>), an unresolved paradox that severely limits their practical applications. In this paper, 0.67BF-0.33BT-0.02BZT-<em>x</em>BA lead-free piezoelectric ceramics designed using a synergistic strategy are presented. High <em>T</em><sub>dr</sub> and large <em>d</em><sub>33</sub> compatibility is achieved by regulating the ratio of polar phases in multiphase coexistence, grain size and domain structure. <em>X</em> = 0.01 ceramics have an <em>in-situ d</em><sub>33</sub> ranging up to 801 pC/N, <em>T</em><sub>dr</sub> = 361 °C, and <em>T</em><sub>c</sub> = 432 °C. The results of this study provide a novel design idea for the preparation of high-performance BF-BT lead-free piezoelectric ceramics.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":null,"pages":null},"PeriodicalIF":4.2,"publicationDate":"2024-09-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142312365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}