Tungsten-based nanocatalysts with different structures for visible light responsive photocatalytic degradation of bisphenol A.

Environmental pollution, such as water contamination, is a critical issue that must be absolutely addressed. Here, three different morphologies of tungsten-based photocatalysts (WO3 nanorods, WO3/WS2 nanobricks, WO3/WS2 nanorods) are made using a simple hydrothermal method by changing the solvents (H2O, DMF, aqueous HCl solution). The as-prepared nanocatalysts have excellent thermal stability, large porosity, and high hydrophilicity. The results show all materials have good photocatalytic activity in aqueous media, with WO3/WS2 nanorods (NRs) having the best activity in the photodegradation of bisphenol A (BPA) under visible-light irradiation. This may originate from increased migration of charge carriers and effective prevention of electron‒hole recombination in WO3/WS2 NRs, whereby this photocatalyst is able to generate more reactive •OH and •O2- species, leading to greater photocatalytic activity. About 99.6% of BPA is photodegraded within 60 min when using 1.5 g/L WO3/WS2 NRs and 5.0 mg/L BPA at pH 7.0. Additionally, the optimal conditions (pH, catalyst dosage, initial BPA concentration) for WO3/WS2 NRs are also elaborately investigated. These rod-like heterostructures are expressed as potential catalysts with excellent photostability, efficient reusability, and highly active effectivity in different types of water. In particular, the removal efficiency of BPA by WO3/WS2 NRs reduces by only 1.5% after five recycling runs and even reaches 89.1% in contaminated lake water. This study provides promising insights for the nearly complete removal of BPA from wastewater or different water resources, which is advantageous to various applications in environmental remediation.

Anisotropic properties of two-dimensional (2D) tin dihalide (SnX2, X = Cl, Br, I) monolayer binary materials.

This paper investigated the electronic properties and photoresponse of two-dimensional SnX2(X = Cl, Br, I) monolayer binary materials using computational techniques. The calculated band structure and density of states indicate that these are large band gap semiconducting materials with an indirect band gap. The studied chemical bonding mechanism shows the existence of the hybrid bonding of ionic and covalent bonds in these dihalide materials. The valence band (VB) and conduction band (CB) edge positions are also estimated, using the concept of electronegativity and band gap, to investigate the photocatalytic activity of SnX2. Next, we investigated the polarization and energy-dependent dielectric and optical functions along the crystallographic axes of these materials in the linear response approach of the perturbing incident oscillating light field. These materials exhibit an anisotropic behavior of these functions, especially in the high-energy visible and low-energy ultraviolet (UV) regions. The absorption of incident light photons is very fast in SnI2than SnBr2and SnCl2in the low-energy UV region. It demonstrates the higher absorption coefficient and optical conductivity in Snl2. The obtained average static refractive index of SnCl2is comparable to that of glass (1.5), showing its application as transparent material. The low reflection coefficient, less than 20%, makes them superior for antireflection coating materials in the infrared and visible regions. The prominent energy loss peaks show the existence of plasmon resonances in these materials. The most of losses occur in the UV region. The investigated electronic and photoresponse properties indicate that these Sn-based dihalide materials are excellent for electronic devices and optoelectronic applications. Also, the calculated VB and CB edge positions with respect to the normal hydrogen electrode show the favorable water-splitting capability of these materials.

Adsorption behavior of furan at Ge(100) surface.

The adsorption behavior of furan on the Ge(100) surface was studied using a combination of high-resolution photoemission spectroscopy (HRPES) and density functional theory (DFT) calculations. We identified the two adsorption species produced by the [4 + 2] cycloaddition and deoxygenation reactions of furan with the Ge(100) surface in a ratio of approximately 76:24 at the surveyed coverages, via an analysis of the binding energies and relative area proportions of all the peaks in the C 1s and O 1s core-level spectra. The DFT simulation results revealed that the [4 + 2] cycloaddition and deoxygenation adducts are thermodynamically preferred by the reaction of furan with the Ge(100) surface compared with others, which is consistent with the HRPES results. The findings will further our understanding of the surface reactions of five-membered heterocyclic molecules.

Correction: Highly efficient degradation of reactive black KN-B dye by ultraviolet light responsive ZIF-8 photocatalysts with different morphologies.

[This corrects the article DOI: 10.1039/D2RA08312D.].

Optical and dielectric response of two-dimensional WX2 (X = Cl, O, S, Se, Te) monolayers: A comprehensive study based on density functional theory.

Here, we study the dielectric and optical properties of two-dimensional (2D) WX2 monolayers, where X is Cl, O, S, Se, and Te. First principle electronic band structure calculations reveal that all materials are direct band gap semiconductors except WO2 and WCl2 , which are found to be indirect band gap semiconducting 2D materials. The dielectric response of these materials is also systematically investigated. The obtained results suggest that these materials are suitable as dielectric materials to suppress unwanted signal noise. The optical properties of these 2D materials, such as absorption, reflection and extinction coefficients, refractive index, and optical conductivity, are also calculated from the dielectric function. It is found that these materials exhibit excellent optical response. The present electronic, dielectric, and optical findings indicate that WX2 monolayers have an opportunity in electronic, optical, and optoelectronic device applications.

Highly efficient degradation of reactive black KN-B dye by ultraviolet light responsive ZIF-8 photocatalysts with different morphologies.

Zeolitic imidazolate framework ZIF-8, a type of metal-organic framework, has diverse applications in multiple catalytic fields due to its outstanding properties. Herein, ZIF-8 photocatalysts with three different morphologies (dodecahedral, pitaya-like, and leaf-like) are successfully synthesized under ambient conditions from zinc salts by altering the volume ratio of methanol and water used as a solvent. The as-synthesized ZIFs have high crystallinity with distinct BET surface areas. The experiments indicate that the ZIFs have high photocatalytic efficiency, in which the leaf-like structure (ZIF-8-F3) is the most efficient in the degradation of reactive black KN-B dye (RB5) under 365 nm UV irradiation. This is due to the efficient inhibition of electron-hole recombination or the higher migration of charge carriers in ZIF-8-F3, thus producing more reactive oxygen species, resulting in greater photocatalytic efficiency. At pH = 11, more than 95% of RB5 is degraded within 2 hours when using 1.0 g L-1 of ZIF-8-F3. Besides, the photocatalytic and kinetic performances of ZIF-8-F3 are also investigated by optimizing the pH, initial RB5 concentration, and dosage of the used catalyst. These ZIF-8-F3 plates have been shown to be a promising material with high photostability and effective reusability, beneficial to various potential applications in environmental remediation issues.

Electronic, transport, magnetic, and optical properties of graphene nanoribbons and their optical sensing applications: A comprehensive review.

Low dimensional materials have attracted great research interest from both theoretical and experimental point of views. These materials exhibit novel physical and chemical properties due to the confinement effect in low dimensions. The experimental observations of graphene open a new platform to study the physical properties of materials restricted to two dimensions. This featured article provides a review on the novel properties of quasi one-dimensional (1D) material known as graphene nanoribbon. Graphene nanoribbons can be obtained by unzipping carbon nanotubes (CNT) or cutting the graphene sheet. Alternatively, it is also called the finite termination of graphene edges. It gives rise to different edge geometries, namely zigzag and armchair, among others. There are various physical and chemical techniques to realize these materials. Depending on the edge type termination, these are called the zigzag and armchair graphene nanoribbons (ZGNR and AGNR). These edges play an important role in controlling the properties of graphene nanoribbons. The present review article provides an overview of the electronic, transport, optical, and magnetic properties of graphene nanoribbons. However, there are different ways to tune these properties for device applications. Here, some of them, such as external perturbations and chemical modifications, are highlighted. Few applications of graphene nanoribbon have also been briefly discussed.

Electronic and optical properties of Nb/V-doped WS2 monolayer: A first-principles study.

The electronic, dielectric, and optical properties of pure and Nb/V-doped WS2 monolayer are being investigated using the first-principles density functional theory (DFT). The electronic band structure calculations reveal that the pure and doped WS2 monolayer is a direct band gap semiconductor. It is seen that the doping not only slightly reduces the band gap but also changes the n-type character of pure WS2 monolayer to the p-type character. Hence, it may be useful for channel material in field effect transistors (FETs). Moreover, the optical studies reveal that the WS2 monolayer shows a significantly good optical response. However, a small ultraviolet shift is observed in the optical response of the doped case compared to the pristine WS2 monolayer. This study suggests that the WS2 monolayer can be a possible optical material for optoelectronic applications, and it can also be a replacement of MoS2 -based future electronics and optoelectronics.

A comprehensive study on the electronic structure, dielectric and optical properties of alkali-earth metals and transition metal hydroxides M(OH)2.

In the present work, the physical properties of alkali-earth metal and transition metal hydroxides are comprehensively investigated using the density functional theory. Here, the alkali-earth metals Ca, Mg, and transition metals Cd, Zn are considered from the II-A and II-B groups in the periodic table of elements. The first principle electronic structure calculations show that these bulk hydroxide materials are direct band gap material. Ca(OH)2 and Mg(OH)2 exhibit an insulating behavior with a very large band gap. However, Cd(OH)2 and Zn(OH)2 are found to be wide band gap semiconductors. The dielectric and optical studies reveal that these materials have a high degree of anisotropy. Hence, the light propagation in these materials behaves differently in the direction perpendicular and parallel to the optical axis, and exhibits birefringence. Therefore, these materials may be useful for optical communication. The calculated electron energy loss suggests that these materials can also be used for unwanted signal noise suppression. The wide band gap makes them useful for high-power applications. Moreover, Ca(OH)2 and Mg(OH)2 are found to be suitable for dielectric medium.

Microstructural tuning and band gap engineering of calcium hydroxides: a novel approach by pH variation.

Here we report a simple, inexpensive, energy benign, yet novel pH-driven chemical precipitation technique to achieve microstructural and band gap engineering of calcium hydroxide nanoparticles (CHNPs). The chemical precipitation route involved the use of 0.4-1.6 M Ca(NO3 )2 .4H2 O solutions as the precursor and 1 M NaOH solution as the precipitator. The simple variation in precursor molarity induces a pH change from about 12.4 to 11.3 in the reactant solution. The CHNPs characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), Fourier transform infrared spectroscopy (FTIR), dynamic light scattering (DLS), and ultraviolet-visible (UV-Vis) spectroscopy techniques confirm a jump of nanocrystallite size from ~50-70 nm with a concomitant reduction of direct optical band gap energy from ~5.38-5.26 eV. The possible mechanisms that could be operative behind obtaining microstructurally tuned (MT)-CHNPS and band gap engineering (BGE) are discussed from both theoretical and physical process perspectives. Furthermore, the implications of these novel results for possible futuristic applications are briefly hinted upon.

Recent advances in ZnO nanostructure as a gas-sensing element for an acetone sensor: a short review.

Air pollution is a severe concern globally as it disturbs the health conditions of living beings and the environment because of the discharge of acetone molecules. Metal oxide semiconductor (MOS) nanomaterials are crucial for developing efficient sensors because of their outstanding chemical and physical properties, empowering the inclusive developments in gas sensor productivity. This review presents the ZnO nanostructure state of the art and notable growth, and their structural, morphological, electronic, optical, and acetone-sensing properties. The key parameters, such as response, gas detection limit, sensitivity, reproducibility, response and recovery time, selectivity, and stability of the acetone sensor, have been discussed. Furthermore, gas-sensing mechanism models based on MOS for acetone sensing are reported and discussed. Finally, future possibilities and challenges for MOS (ZnO)-based gas sensors for acetone detection have also been explored.

Optical band gap enhancements of chemically synthesized α-Ni(OH)2 nanoparticles by a novel technique: Precipitator molarity variation.

Nickel hydroxide nanoparticles (NHNPs) are extremely important semiconducting materials for applications in energy storage and energy harvesting devices. This study uses a novel variation in molarity of the sodium hydroxide (NaOH) precipitator solution to enhance the direct optical band gap in the NHNPs chemically synthesized by using nickel nitrate hexahydrate (Ni(NO3 )2 ·6H2 O) as the precursor. The simple, energy benign chemical precipitation route involved the usage of 1 M (Ni(NO3 )2 ·6H2 O) solutions as the precursor and 0.4 M, 0.6 M, and 0.8 M NaOH solutions as the precipitator solutions. The simple variation in precipitator molarity induces an increase in pH from about 6.9 to 7.5 of the reactant solution. As the molarity of the precursor solution does not change, the change in pH of the reactant solution is equivalent to the change in the pH of the precipitator solution. The NHNPs characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), dynamic light scattering (DLS), Fourier-transform infrared (FTIR) and ultraviolet-visible (UV-vis) techniques confirm a reduction of the nanocrystallite size from about 6.8 to 4.5 nm with a concomitant enhancement in the direct optical band gap energy from about 2.64 to 2.74 eV. The possible mechanisms that could be operative behind obtaining microstructurally tuned (MT)-NHNPs and band gap engineering (BGE) of the MT-NHNPs are discussed from both theoretical and physical process perspectives. Further, the implications of these novel results for possible future applications are briefly touched upon. The reported results might be useful to assess the material as an active electrode to improve the performance of batteries.

Polymer Dispersed Liquid Crystal Imprinted by Microlens Array for Enhanced Outcoupling Efficiency of Organic Light Emitting Diode.

In this paper, we demonstrate the use of polymer dispersed liquid crystal (PDLC) imprinted with a microlens array (MLA) via solution process to improve the outcoupling efficiency of organic light emitting diodes (OLEDs). The PDLC, well known for its scattering effect, is an excellent technology for improving the outcoupling efficiency of OLEDs. Additionally, we introduce a simple spin-coating process to fabricate PDLC which is adaptable for future solution-processed OLEDs. The MLA-imprinted PDLC applied OLED shows an enhancement factor of 1.22 in outcoupling efficiency which is a 37.5% increase compared to the existing PDLC techniques without changing the electrical properties of the OLED. Through this approach, we can expect the roll-to-roll based extremely flexible OLED, and with further research on pattering PDLC by various templates, higher outcoupling efficiency is achievable through a simple UV irradiation process.

WS2 Nanorod as a Remarkable Acetone Sensor for Monitoring Work/Public Places.

Here, we report the synthesis of the WS2 nanorods (NRs) using an eco-friendly and facile hydrothermal method for an acetone-sensing application. This study explores the acetone gas-sensing characteristics of the WS2 nanorod sensor for 5, 10, and 15 ppm concentrations at 25 °C, 50 °C, 75 °C, and 100 °C. The WS2 nanorod sensor shows the highest sensitivity of 94.5% at 100 °C for the 15 ppm acetone concentration. The WS2 nanorod sensor also reveals the outstanding selectivity of acetone compared to other gases, such as ammonia, ethanol, acetaldehyde, methanol, and xylene at 100 °C with a 15 ppm concentration. The estimated selectivity coefficient indicates that the selectivity of the WS2 nanorod acetone sensor is 7.1, 4.5, 3.7, 2.9, and 2.0 times higher than xylene, acetaldehyde, ammonia, methanol, and ethanol, respectively. In addition, the WS2 nanorod sensor also divulges remarkable stability of 98.5% during the 20 days of study. Therefore, it is concluded that the WS2 nanorod can be an excellent nanomaterial for developing acetone sensors for monitoring work/public places.

Fabrication of Multi-Layer Metal Oxides Structure for Colored Glass.

This study proposes front colored glass for building integrated photovoltaic (BIPV) systems based on multi-layered derivatives of glass/MoO3/Al2O3 with a process technology developed to realize it. Molybdenum oxide (MoO3) and aluminum oxide (Al2O3) layers are selected as suitable candidates to achieve thin multi-layer color films, owing to the large difference in their refractive indices. We first investigated from a simulation based on wave optics that the glass/MoO3/Al2O3 multi-layer type offers more color design freedom and a cheaper fabrication process when compared to the glass/Al2O3/MoO3 multi-layer type. Based on the simulation, bright blue and green were primarily fabricated on glass. It is further demonstrated that brighter colors, such as yellow and pink, can be achieved secondarily with glass/MoO3/Al2O3/MoO3 due to enhanced multi-interfacial reflections. The fabricated color glasses showed the desired optical properties with a maximum transmittance exceeding 80%. This technology exhibits promising potential in commercial BIPV system applications.

ZnS Quantum Dot Based Acetone Sensor for Monitoring Health-Hazardous Gases in Indoor/Outdoor Environment.

This study reports the ZnS quantum dots (QDs) synthesis by a hot-injection method for acetone gas sensing applications. The prepared ZnS QDs were characterized by X-ray diffraction (XRD) and transmission electron microscopy analysis. The XRD result confirms the successful formation of the wurtzite phase of ZnS, with a size of ~5 nm. Transmission electron microscopy (TEM), high-resolution TEM (HRTEM), and fast Fourier transform (FFT) images reveal the synthesis of agglomerated ZnS QDs with different sizes, with lattice spacing (0.31 nm) corresponding to (111) lattice plane. The ZnS QDs sensor reveals a high sensitivity (92.4%) and fast response and recovery time (5.5 s and 6.7 s, respectively) for 100 ppm acetone at 175 °C. In addition, the ZnS QDs sensor elucidates high acetone selectivity of 91.1% as compared with other intrusive gases such as ammonia (16.0%), toluene (21.1%), ethanol (26.3%), butanol (11.2%), formaldehyde (9.6%), isopropanol (22.3%), and benzene (18.7%) for 100 ppm acetone concentration at 175 °C. Furthermore, it depicts outstanding stability (89.1%) during thirty days, with five day intervals, for 100 ppm at an operating temperature of 175 °C. In addition, the ZnS QDs acetone sensor elucidates a theoretical detection limit of ~1.2 ppm at 175 °C. Therefore, ZnS QDs can be a promising and quick traceable sensor nanomaterial for acetone sensing applications.

Characterization of surface anchoring energy of nematic liquid crystals via electrohydrodynamic instability.

Herein, a method is proposed to determine the azimuthal anchoring energies of surface liquid crystals (LCs), as they gradually change orientation from a vertical to a horizontal state owing to an increase in the voltage applied to each LC cell. The LC cells are characterized using the direction of the Williams roll pattern related to the midplane LC director of the conduction regime of the electrohydrodynamic convection patterns of LCs. The application of the midplane LC directions, obtained from the direction of the roll patterns, to the Ericksen-Leslie equation produces the precise values of the surface anchoring strength. The hybrid type 90°-twisted nematic LC cell, composed of homeotropic and homogeneous LC alignment layers on the top and bottom substrates, respectively, was used to find the azimuthal anchoring energy of the surface LCs, indicated by voltages at the initially vertically aligned LC state. It was observed that the surface azimuthal anchoring energy on the homeotropic layer increased with an increase in voltage. We expect that the proposed technique may be excellent in terms of ease of use, simplicity, and accuracy because the azimuthal anchoring energy can be visually evaluated through the roll pattern.

A novel RGO/N-RGO supercapacitor architecture for a wide voltage window, high energy density and long-life via voltage holding tests.

Here, we demonstrated a unique symmetric supercapacitor (SSC) device architecture based on reduced graphene oxide (RGO) and nitrogen-doped RGO (N-RGO) electrodes. The RGO/N-RGO SSC shows a wide voltage window (2.2 V), high energy density (106.3 W h kg-1), and ultra-high power density (15184.8 W kg-1). The RGO/N-RGO SSC also delivers outstanding stability of 95.5% over 10 000 galvanostatic charging-discharging tests and 90.5% over 8 h of voltage holding tests. Additionally, this work explores a better understanding of leakage current and self-discharge mechanisms, which justifies the excellent state of health of the RGO/N-RGO SSC device.

Fast response and transparent optically isotropic liquid crystal diffraction grating.

We have demonstrated an electrically tunable less polarization sensitive and fast response nanostructured polymer dispersed liquid crystal (nano-PDLC) diffraction grating. Fabricated nano-PDLC is optically transparent in visible wavelength regime. The optical isotropic nature was increased by minimizing the liquid crystal droplet size below visible wavelength thereby eliminated scattering. Diffraction properties of in-plane switching (IPS) and fringe-field switching (FFS) cells were measured and compared with one another up to four orders. We have obtained a pore-type polymer network constructed by highly interlinked polymer beads at which the response time is improved by strong interaction of liquid crystal molecules with polymer beads at interface. The diffraction pattern obtained by transparent nano-PDLC film has several interesting properties such as less polarization dependence and fast response. This device can be used as transparent tunable diffractor along with other photonic application.

Polarized Light-Emitting Diodes Based on Patterned MoS2 Nanosheet Hole Transport Layer.

Here, this study successfully fabricates few-layer MoS2 nanosheets from (NH4 )2 MoS4 and applies them as the hole transport layer as well as the template for highly polarized organic light-emitting diodes (OLEDs). The obtained material consists of polycrystalline MoS2 nanosheets with thicknesses of 2 nm. The MoS2 nanosheets are patterned by rubbing/ion-beam treatment. The Raman spectra shows that {poly(9,9-dioctylfluorene-alt-benzothiadiazole), poly[(9,9-di-n-octylfluorenyl-2,7-diyl)-alt-(benzo[2,1,3]thiadiazol-4,8-diyl)]} (F8BT) on patterned MoS2 exhibits distinctive polarization behavior. It is discovered that patterned MoS2 not only improves the device efficiency but also changes the polarization behavior of the devices owing to the alignment of F8BT. This work demonstrates a highly efficient polarized OLED with a polarization ratio of 62.5:1 in the emission spectrum (166.7:1 at the peak intensity of 540 nm), which meets the manufacturing requirement. In addition, the use of patterned MoS2 nanosheets not only tunes the polarization of the OLEDs but also dramatically improves the device performance as compared with that of devices using untreated MoS2 .