jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Muhammad Khuram Shahzad | Shoukat Hussain | Muhammad Umair Farooq | Rashid Ali Laghari | Muhammad Hamza Bilal | Sajjad Ahmad Khan | Muhammad Bilal Tahir | Adnan Khalil | Jalil Ur Rehman | Muhammad Mahmood Ali
Source: Heliyon (article, 2023-02-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

RETRACTED: First-principles calculations to investigate structural, electronic, elastic and optical properties of radium based cubic fluoro-perovskite materials Perovskite materials play a vital role in the field of material science via experimental as well as theoretical calculations. Radium semiconductor materials are considered the backbone of medical fields. These materials are considered in high technological fields to be used as controlling the decay ability. In this study, radium-based cubic fluoro-perovskite XRaF3 (where X = Rb and Na) are calculated using a DFT (density functional theory). These compounds are cubic nature with 221 space groups that construct on CASTEP (Cambridge-serial-total-energy-package) software with ultra-soft PPPW (pseudo-potential plane-wave) and GGA (Generalized-Gradient-approximation)-PBE (Perdew-Burke-Ernzerhof) exchange-correlation functional. The structural, optical, electronic, and mechanical properties of the compounds are calculated. According to the structural properties, NaRaF3 and RbRaF3 have a direct bandgap with 3.10eV and 4.187eV of NaRaF3 and RbRaF3, respectively. Total density of states (DOS) and partial density of states (PDOS) provide confirmation to the degree of electrons localized in distinct bands. NaRaF3 material is semiconductors and RbRaF3 is insulator, according to electronic results. The imaginary element dispersion of the dielectric function reveals its wide variety of energy transparency. In both compounds, the optical transitions are examined by fitting the damping ratio for the notional dielectric function scaling to the appropriate peaks. The absorption and the conductivity of NaRaF3 compound is better than the RbRaF3 compound which make it suitable for the solar cell applications increasing the efficiency and work function. We observed that both compounds are mechanically stable with cubic structure. The criteria for the mechanical stability of compounds are also met by the estimated elastic results. These compounds have potential application in field of solar cell and medical.ObjectivesThe band gap, absorption and the conductivity are necessary conditions for potential applications. Here, literature was reviewed to check computational translational insight into the relationships between absorption and conductivity for solar cell and medical applications of novel RbRaF3 and NaRaF3 compounds. CASTEP ; Density functional theory ; Band gap ; Materials science ; Semiconductor ; Electronic structure ; Perovskite (structure) ; Condensed matter physics ; Computational chemistry ; Chemistry ; Crystallography ; Optoelectronics ; Physics Heusler alloys: electronic and magnetic properties ; Perovskite Materials and Applications ; Thermal Expansion and Ionic Conductivity
Authors: Hafiz Taimoor Ahmed Awan | Laveet Kumar | Weng Pin Wong | Rashmi Walvekar | Mohammad Khalid
Source: Energies (article, 2023-02-16)
Field: Materials Science — Materials Chemistry

Recent Progress and Challenges in MXene-Based Phase Change Material for Solar and Thermal Energy Applications Energy storage is becoming a critical issue due to the diminishing availability of fossil fuels and the intermittent nature of current renewable energy sources. As a result, thermal management (TM) and thermal energy systems have gained significant attention due to their crucial roles in various industries. Among the different TM materials, MXenes, a member of the transition metal carbide/nitride family, have emerged as a promising material due to their unique 2D nanostructure, changeable surface chemistry, high electrical/thermal conductivity, light absorptivity, and low infrared emissivity. This review outlines the synthesis methods of MXenes and their various features and applications in thermal management. These 2D materials exhibit outstanding optical and thermal properties, making them suitable for thermal energy generation and storage. The study also covers the potential applications of MXene in the desalination industry, hybrid photovoltaic thermal systems, solar energy storage, electronics, and other thermal management related industries. The findings suggest that MXene-based TM materials have remarkable features that significantly influence thermal energy storage and conversion and present opportunities for further research in efficiently using these materials. MXenes ; Materials science ; Thermal energy storage ; Photovoltaic system ; Renewable energy ; Emissivity ; Energy storage ; Thermal energy ; Solar energy ; Nanotechnology ; Energy transformation ; Engineering physics ; Phase-change material ; Process engineering ; Phase change ; Engineering ; Electrical engineering ; Optics MXene and MAX Phase Materials ; Solar-Powered Water Purification Methods ; Phase Change Materials Research
Authors: Lichao Sun | Yunlong Tao | Guizeng Yang | Chuang Liu | Xuehao Sun | Qingfeng Zhang
Source: Advanced Materials (review, 2023-08-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Geometric Control and Optical Properties of Intrinsically Chiral Plasmonic Nanomaterials Intrinsically chiral plasmonic nanomaterials exhibit intriguing geometry-dependent chiroptical properties, which is due to the combination of plasmonic features with geometric chirality. Thus, chiral plasmonic nanomaterials have become promising candidates for applications in biosensing, asymmetric catalysis, biomedicine, photonics, etc. Recent advances in geometric control and optical tuning of intrinsically chiral plasmonic nanomaterials have further opened up a unique opportunity for their widespread applications in many emerging technological areas. Here, the recent developments in the geometric control of chiral plasmonic nanomaterials are reviewed with special attention given to the quantitative understanding of the chiroptical structure-property relationship. Several important optical spectroscopic tools for characterizing the optical chirality of plasmonic nanomaterials at both ensemble and single-particle levels are also discussed. Three emerging applications of chiral plasmonic nanomaterials, including enantioselective sensing, enantioselective catalysis, and biomedicine, are further highlighted. It is envisioned that these advanced studies in chiral plasmonic nanomaterials will pave the way toward the rational design of chiral nanomaterials with desired optical properties for diverse emerging technological applications. Nanomaterials ; Plasmon ; Nanotechnology ; Materials science ; Chirality (physics) ; Rational design ; Enantioselective synthesis ; Photonics ; Catalysis ; Chemistry ; Optoelectronics ; Physics Metamaterials and Metasurfaces Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research
Authors: Seemesh Bhaskar
Source: Micromachines (review, 2023-02-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Biosensing Technologies: A Focus Review on Recent Advancements in Surface Plasmon Coupled Emission In the past decade, novel nano-engineering protocols have been actively synergized with fluorescence spectroscopic techniques to yield higher intensity from radiating dipoles, through the process termed plasmon-enhanced fluorescence (PEF). Consequently, the limit of detection of analytes of interest has been dramatically improvised on account of higher sensitivity rendered by augmented fluorescence signals. Recently, metallic thin films sustaining surface plasmon polaritons (SPPs) have been creatively hybridized with such PEF platforms to realize a substantial upsurge in the global collection efficiency in a judicious technology termed surface plasmon-coupled emission (SPCE). While the process parameters and conditions to realize optimum coupling efficiency between the radiating dipoles and the plasmon polaritons in SPCE framework have been extensively discussed, the utility of disruptive nano-engineering over the SPCE platform and analogous interfaces such as 'ferroplasmon-on-mirror (FPoM)' as well as an alternative technology termed 'photonic crystal-coupled emission (PCCE)' have been seldom reviewed. In light of these observations, in this focus review, the myriad nano-engineering protocols developed over the SPCE, FPoM and PCCE platform are succinctly captured, presenting an emphasis on the recently developed cryosoret nano-assembly technology for photo-plasmonic hotspot generation (first to fourth). These technologies and associated sensing platforms are expected to ameliorate the current biosensing modalities with better understanding of the biophysicochemical processes and related outcomes at advanced micro-nano-interfaces. This review is hence envisaged to present a broad overview of the latest developments in SPCE substrate design and development for interdisciplinary applications that are of relevance in environmental as well as biological heath monitoring. Nanotechnology ; Plasmon ; Surface plasmon polariton ; Surface plasmon ; Nanophotonics ; Materials science ; Photonics ; Computer science ; Optoelectronics Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Advanced biosensing and bioanalysis techniques
Authors: Bekir Oruncak
Source: International Journal of Computational and Experimental Science and Engineering (article, 2023-06-03)
Field: Materials Science — Materials Chemistry

Computation of Neutron Coefficients for B2O3 reinforced Composite Radiation is an important phenome and has been used in many different fields since its discovery. Although there are different types of radiation, neutron is one of the most interesting types as it is an uncharged particle. This character made neutron is more dangerous radiation types than others and thus protection from neutron effect requires more care. In this paper neutron attenuation coefficients of B2O3 reinforced composite have been investigated using Phy-X/PSD software. Neutron ; Composite number ; Radiation ; Materials science ; Neutron radiation ; Computational physics ; Physics ; Computation ; Nuclear engineering ; Nuclear physics ; Computer science ; Composite material ; Engineering ; Algorithm Radiation Shielding Materials Analysis ; Graphite, nuclear technology, radiation studies ; Nuclear Physics and Applications
Authors: Yuan Meng | Hongkun Zhong | Zhihao Xu | Tiantian He | Justin S. Kim | Sangmoon Han | Sunok Kim | Seoungwoong Park | Yijie Shen | Mali Gong | Qirong Xiao | Sang‐Hoon Bae
Source: Nanoscale Horizons (review, 2023-01-01)
Field: Materials Science — Materials Chemistry

Functionalizing nanophotonic structures with 2D van der Waals materials The integration of two-dimensional (2D) van der Waals materials with nanostructures has triggered a wide spectrum of optical and optoelectronic applications. Photonic structures of conventional materials typically lack efficient reconfigurability or multifunctionality. Atomically thin 2D materials can thus generate new functionality and reconfigurability for a well-established library of photonic structures such as integrated waveguides, optical fibers, photonic crystals, and metasurfaces, to name a few. Meanwhile, the interaction between light and van der Waals materials can be drastically enhanced as well by leveraging micro-cavities or resonators with high optical confinement. The unique van der Waals surfaces of the 2D materials enable handiness in transfer and mixing with various prefabricated photonic templates with high degrees of freedom, functionalizing as the optical gain, modulation, sensing, or plasmonic media for diverse applications. Here, we review recent advances in synergizing 2D materials to nanophotonic structures for prototyping novel functionality or performance enhancements. Challenges in scalable 2D materials preparations and transfer, as well as emerging opportunities in integrating van der Waals building blocks beyond 2D materials are also discussed. Nanophotonics ; van der Waals force ; Materials science ; Nanotechnology ; Physics ; Quantum mechanics ; Molecule 2D Materials and Applications ; Plasmonic and Surface Plasmon Research ; Graphene research and applications
Authors: Zhuoyun Chen | Ji Ma | Da‐Wen Sun
Source: Comprehensive Reviews in Food Science and Food Safety (review, 2023-05-18)
Field: Materials Science — Materials Chemistry

Aggregates‐based fluorescence sensing technology for food hazard detection: Principles, improvement strategies, and applications Aggregates often exhibit modified or completely new properties compared with their molecular elements, making them an extraordinarily advantageous form of materials. The fluorescence signal change characteristics resulting from molecular aggregation endow aggregates with high sensitivity and broad applicability. In molecular aggregates, the photoluminescence properties at the molecular level can be annihilated or elevated, leading to aggregation-causing quenching (ACQ) or aggregation-induced emission (AIE) effects. This change in photoluminescence properties can be intelligently introduced in food hazard detection. Recognition units can combine with the aggregate-based sensor by joining the aggregation process, endowing the sensor with the high specificity of analytes (such as mycotoxins, pathogens, and complex organic molecules). In this review, aggregation mechanisms, structural characteristics of fluorescent materials (including ACQ/AIE-activated), and their applications in food hazard detection (with/without recognition units) are summarized. Because the design of aggregate-based sensors may be influenced by the properties of their components, the sensing mechanisms of different fluorescent materials were described separately. Details of fluorescent materials, including conventional organic dyes, carbon nanomaterials, quantum dots, polymers and polymer-based nanostructures and metal nanoclusters, and recognition units, such as aptamer, antibody, molecular imprinting, and host-guest recognition, are discussed. In addition, future trends of developing aggregate-based fluorescence sensing technology in monitoring food hazards are also proposed. Fluorescence ; Aggregation-induced emission ; Nanoclusters ; Photoluminescence ; Materials science ; Nanotechnology ; Molecular recognition ; Nanomaterials ; Polymer ; Quenching (fluorescence) ; Molecularly imprinted polymer ; Computer science ; Chemistry ; Molecule ; Optoelectronics ; Selectivity ; Organic chemistry Luminescence and Fluorescent Materials ; Carbon and Quantum Dots Applications ; Molecular Sensors and Ion Detection
Authors: Erda Wen | Xiaozhen Yang | Daniel F. Sievenpiper
Source: Nature Communications (article, 2023-11-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Real-data-driven real-time reconfigurable microwave reflective surface Manipulating the electromagnetic (EM) scattering behavior from an arbitrary surface dynamically on arbitrary design goals is an ultimate ambition for many EM stealth and communication problems, yet it is nearly impossible to accomplish with conventional analysis and optimization techniques. Here we present a reconfigurable conformal metasurface prototype as well as a workflow that enables it to respond to multiple design targets on the reflection pattern with extremely low on-site computing power and time. The metasurface is driven by a sequential tandem neural network which is pre-trained using actual experimental data, avoiding any possible errors that may arise from calculation, simulation, or manufacturing tolerances. This platform empowers the surface to operate accurately in a complex environment including varying incident angle and operating frequency, or even with other scatterers present close to the surface. The proposed data-driven approach requires minimum amount of prior knowledge and human effort yet provides maximized versatility on the reflection control, stepping towards the end form of intelligent tunable EM surfaces. Workflow ; Computer science ; Reflection (computer programming) ; Surface (topology) ; Conformal map ; Power (physics) ; Physics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Advanced Wireless Communication Technologies
Authors: Yiduo Wang | Yingwei Wang | Yulan Dong | Li Zhou | Jianlong Kang | Ning Wang | Yejun Li | Xiaoming Yuan | Zhengwei Zhang | Han Huang | Mengqiu Long | Si Xiao | Jun He
Source: Opto-Electronic Advances (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

2D Nb&lt;sub&gt;2&lt;/sub&gt;CT&lt;sub&gt;&lt;em&gt;x&lt;/em&gt;&lt;/sub&gt; MXene/MoS&lt;sub&gt;2&lt;/sub&gt; heterostructure construction for nonlinear optical absorption modulation Two-dimensional (2D) nonlinear optical mediums with high and tunable light modulation capability can significantly stimulate the development of ultrathin, compact, and integrated optoelectronics devices and photonic elements. 2D carbides and nitrides of transition metals (MXenes) are a new class of 2D materials with excellent intrinsic and strong light-matter interaction characteristics. However, the current understanding of their photo-physical properties and strategies for improving optical performance is insufficient. To address this issue, we rationally designed and <italic>in situ</italic> synthesized a 2D Nb<sub>2</sub>C/MoS<sub>2</sub> heterostructure that outperforms pristine Nb<sub>2</sub>C in both linear and nonlinear optical performance. Excellent agreement between experimental and theoretical results demonstrated that the Nb<sub>2</sub>C/MoS<sub>2</sub> inherited the preponderance of Nb<sub>2</sub>C and MoS<sub>2</sub> in absorption at different wavelengths, resulting in the broadband enhanced optical absorption characteristics. In addition to linear optical modulation, we also achieved stronger near infrared nonlinear optical modulation, with a nonlinear absorption coefficient of Nb<sub>2</sub>C/MoS<sub>2</sub> being more than two times that of the pristine Nb<sub>2</sub>C. These results were supported by the band alinement model which was determined by the X-ray photoelectron spectroscopy (XPS) experiment and first-principal theory calculation. The presented facile synthesis approach and robust light modulation strategy pave the way for broadband optoelectronic devices and optical modulators. X-ray photoelectron spectroscopy ; Heterojunction ; Materials science ; Photonics ; Absorption (acoustics) ; Optoelectronics ; MXenes ; Modulation (music) ; Absorption spectroscopy ; Physics ; Optics ; Nanotechnology ; Nuclear magnetic resonance MXene and MAX Phase Materials ; 2D Materials and Applications ; Boron and Carbon Nanomaterials Research
Authors: Mahmoud A. Alelaimat | Mahmoud A. Al-Sha’er | Haneen A. Basheer
Source: ACS Omega (article, 2023-04-05)
Field: Chemistry — Organic Chemistry

Novel Sulfonamide–Triazine Hybrid Derivatives: Docking, Synthesis, and Biological Evaluation as Anticancer Agents The biological benefits of trisubstituted 1,3,5-triazine derivatives include their ability to reduce inflammation and fight cancer. A unique series of sulfonamide-triazine hybrid molecules were produced chemically by synthesizing triazine derivatives utilizing the usual nucleophilic aromatic substitution of cyanuric chloride via the solvent-free/neat fusion method. Fourier-transform infrared spectroscopy (FTIR), <sup>1</sup>H NMR, and <sup>13</sup>C NMR spectroscopic analyses were used to identify novel trisubstituted synthetic compounds. The synthesized compounds have a moderate inhibition percentage when tested at 100 μM against the phosphoinositol 3-kinases (PI3Kα) enzyme; compounds <b>20</b> and <b>34</b> showed 46 and 68% anti-PI3Kα activity, respectively. To comprehend the anticipated interactions, the most successful compounds were subsequently docked into a PI3Kα protein's binding site (PDB code: 6OAC, resolution: 3.15 Å). The final synthetic compounds' anticancer activity was tested on the breast (MCF-7) and lung (A549) cancer cell lines at doses of 100 and 50 μM for additional evaluation of anticancer characteristics. The IC<sub>50</sub> values for the sulfaguanidine-triazine derivatives <b>27</b>, <b>28</b>, <b>29</b>, <b>31</b>, and <b>35</b> ranged from 14.8 to 33.2 μM, showing that compounds containing sulfaguanidine and diethylamine in their structures significantly inhibited the activity. Compound <b>34</b> could be a promising lead compound for developing new target-selected anticancer compounds with low toxicity and high selectivity. Chemistry ; Triazine ; Combinatorial chemistry ; Docking (animal) ; Cyanuric chloride ; Protein Data Bank (RCSB PDB) ; Sulfonamide ; Stereochemistry ; Carbon-13 NMR ; Organic chemistry Synthesis and Characterization of Heterocyclic Compounds ; Click Chemistry and Applications ; Quinazolinone synthesis and applications
Authors: Daniel Lawson | Sophie Blundell | Martin Ebert | Otto L. Muskens | Ioannis Zeimpekis
Source: Optical Materials Express (article, 2023-11-28)
Field: Materials Science — Materials Chemistry

Optical switching beyond a million cycles of low-loss phase change material Sb<sub>2</sub>Se<sub>3</sub> The development of the next generation of optical phase change technologies for integrated photonic and free-space platforms relies on the availability of materials that can be switched repeatedly over large volumes and with low optical losses. In recent years, the antimony-based chalcogenide phase-change material Sb 2 Se 3 has been identified as particularly promising for a number of applications owing to good optical transparency in the near-infrared part of the spectrum and a high refractive index close to silicon. The crystallization temperature of Sb 2 Se 3 of around 460 K allows switching to be achieved at moderate energies using optical or electrical control signals while providing sufficient data retention time for non-volatile storage. Here, we investigate the parameter space for optical switching of films of Sb 2 Se 3 for a range of film thicknesses relevant to optical applications. By identifying optimal switching conditions, we demonstrate endurance of up to 10 7 cycles at reversible switching rates of 20 kHz. Our work demonstrates that the combination of intrinsic film parameters with pumping conditions is particularly critical for achieving high endurance in optical phase change applications. Materials science ; Refractive index ; Chalcogenide ; Optical switch ; Optoelectronics ; Photonics ; Antimony ; Phase (matter) ; 3D optical data storage ; Optics Phase-change materials and chalcogenides ; Chalcogenide Semiconductor Thin Films ; Nonlinear Optical Materials Studies