Double Hybrid Research Articles

A Review of Horticulturally Desirable Characters in Kalanchoe (Crassulaceae subfam. Kalanchooideae): Variable and Deviating Vegetative and Reproductive Morphologies Useful in Breeding Programmes

Variation and deviations in reproductive morphological characters, especially in flower colour and the occurrence of single vs double flowers, in species and hybrids from which cultivars have been selected in Kalanchoe (Crassulaceae subfam. Kalanchooideae) have given rise to the establishment of a multi-million € horticultural enterprise based on, inter alia, K. blossfeldiana and hybrid material of which it is one parent. Kalanchoes are mostly made available for the trade in material grown indoors. More recently, the breeding of kalanchoes as a source of long-lasting cut flowers, as well as incorporating vegetative, not only reproductive, variation into hybrid offspring have received increasing attention. Vegetative characters of horticultural interest are mostly those of the leaves (colour, maculation, shape). Especially given the ease with which kalanchoes, including nothospecies and cultivars, respond to cultivation outdoors in places where water for irrigation is at a premium, material other than K. blossfeldiana-derived cultivars has recently seen an upsurge in popularity. In the family Crassulaceae as a whole, deviations in leaf morphology, such as surface carunculations, is best known among representatives of other crassuloid genera, including Echeveria (Crassulaceae subfam. Sempervivoideae). Such deviations, too, have given rise to the selection and description of numerous horticulturally popular cultivars, for example derived from E. gibbiflora. The development of leaf carunculations is for the first time reported from K. neglecta and K. nyikae, which are endemic to southern and East Africa, respectively. We provide a review of variable and deviating vegetative and reproductive morphologies in Kalanchoe species, nothospecies, and cultivars popular among plant breeders.

Thermodynamic analysis of sensible heat storage based double pass hybrid solar air heater with and without reflector

Thermodynamic analysis of sensible heat storage based double pass hybrid solar air heater with and without reflector

Tungsten-Based Hybrid Composite Shield for Medical Radioisotope Defense.

The shielding performance of shielding clothing is typically improved by increasing the shielding material content, but this lowers the tensile strength of the material. The weight and wearability of the shielding suit are also adversely affected. Important considerations when developing shielding fabric are thickness and flexibility to allow the wearer sufficient mobility. Insufficient thickness lowers the shielding performance, whereas excessive thickness decreases the flexibility of the garment. This study aimed to develop a composite shield that reproduces the shielding performance and meets the flexibility of the process technology. The new shield was manufactured by combining two layers: the shielding fabric fabricated from tungsten wire and a shielding sheet produced by mixing a polymer (PDMS) with tungsten powder. These two shields were bonded to develop a double hybrid composite. Compared with the existing shielding sheet (produced from lead equivalent of 0.55 mmPb), the shielding performance of the hybrid composite shield improved by approximately 17% on average and the tensile strength was 53% higher. The hybrid composite shield has a thickness of 1.35 ± 0.02 mm and delivers the same shielding performance as the lead equivalent. The new hybrid composite shield offers higher wearer mobility while shielding against radiation exposure in medical institutions.

Do any types of double-hybrid models render the correct order of excited state energies in inverted singlet-triplet emitters?

Organic emissive materials with the inverted singlet-triplet energy gaps, where in violation of Hund's multiplicity rule the lowest triplet excited-state is higher in energy than the lowest singlet excited-state, have recently come into the limelight. This unique feature is of important relevance, where the emitters meeting the singlet-triplet inversion have potential to usher in the next generation of organic light emitting diodes (OLEDs). Since experimental data in this context are currently sparse, necessity of the cost-effective theoretical tools able to provide reliable results seems to be evident. Following our recent endeavors on the spin-component-scaled (SCS), spin-opposite-scaled (SOS), and SOS-range separated exchange (SOS-RSX) double-hybrids (DHs) as well as other efforts revealing the superior performances of such models for time-dependent computations, in the present work, we develop and validate several models based on the SOS-configuration interaction singles with perturbative doubles correction [SOS-CIS(D)] devoid of any fitting procedure for describing the singlet-triplet inversion. Taking a series of emitters with the available reference values for the inverted singlet-triplet energy gaps as working models, it is unveiled that the extremes of the same-spin and opposite-spin parameters included in the direct and indirect terms of the SOS-CIS(D) correlation energy as well as the nonlocal exchange and correlation contributions do not necessarily work well for the inverted gaps, but particular proportions among them are needed to achieve a reliable accuracy. Perusing the results of our developed methods, the best one based on the Perdew-Burke-Ernzerhof (PBE) exchange and correlation terms and the quadratic integrand model, denominated as SOS0-CIS(D)-PBE-QIDH, is shown to be highly efficient and robust for computations of the inverted singlet-triplet energy gaps. Furthermore, through detailed comparisons, we have also evaluated the performances of a variety of the recently presented DHs, including parameterized, parameter-free, RSX, as well as spin-component and spin-opposite scaling models for the purpose. Dissecting all the findings, it is disclosed that the results of any type of the DHs cannot be reliable, leading to positive energy gaps in most cases. Nonetheless, there are still some approximations, including SCS-PBE-QIDH, dispersion corrected spin-component scaled double-hybrids (DSD) of DSD-PBEP86 and DSD-BLYP, SOS-PBE-QIDH, SOS-ωPBEPP86, and SOS-RSX-QIDH, that can predict the negative singlet-triplet energy gaps for all the considered emitters and provide comparable performances with respect to our proposed model. To wrap up, among the large panel of different families of DHs on the market, the newly proposed model herein alongside these latter functionals can be recommended as the currently best affordable methods for subsequent applications on the inverted singlet-triplet emitters in OLED materials.

Accurate Spectral Properties within Double-Hybrid Density Functional Theory: A Spin-Scaled Range-Separated Second-Order Algebraic-Diagrammatic Construction-Based Approach.

Our second-order algebraic-diagrammatic construction [ADC(2)]-based double-hybrid (DH) ansatz (J. Chem. Theory Comput.2019, 15, 4440. DOI: 10.1021/acs.jctc.9b00391) is combined with range-separation techniques. In the present scheme, both the exchange and the correlation contributions are range-separated, while spin-scaling approaches are also applied. The new methods are thoroughly tested for the most popular benchmark sets including 250 singlet and 156 triplet excitations, as well as 80 oscillator strengths. It is demonstrated that the range separation for the correlation contributions is highly recommended for both the genuine and the ADC(2)-based DH approaches. Our results show that the latter scheme slightly but consistently outperforms the former one for single excitation dominated transitions. Furthermore, states with larger fractions of double excitations are assessed as well, and challenging charge-transfer excitations are also discussed, where the recently proposed spin-scaled long-range corrected DHs fail. The suggested iterative fourth-power scaling RS-PBE-P86/SOS-ADC(2) method, using only three adjustable parameters, provides the most robust and accurate excitation energies within the DH theory. In addition, the relative error of the oscillator strengths is reduced by 65% compared to the best genuine DH functionals.

Chalcogen···Chalcogen Bonding in Molybdenum Disulfide, Molybdenum Diselenide and Molybdenum Ditelluride Dimers as Prototypes for a Basic Understanding of the Local Interfacial Chemical Bonding Environment in 2D Layered Transition Metal Dichalcogenides

An attempt was made, using computational methods, to understand whether the intermolecular interactions in the dimers of molybdenum dichalcogenides MoCh2 (Ch = chalcogen, element of group 16, especially S, Se and Te) and similar mixed-chalcogenide derivatives resemble the room temperature experimentally observed interactions in the interfacial regions of molybdenites and their other mixed-chalcogen derivatives. To this end, MP2(Full)/def2-TVZPPD level electronic structure calculations on nine dimer systems, including (MoCh2)2 and (MoChCh′2)2 (Ch, Ch′ = S, Se and Te), were carried out not only to demonstrate the energetic stability of these systems in the gas phase, but also to reproduce the intermolecular geometrical properties that resemble the interfacial geometries of 2D layered MoCh2 systems reported in the crystalline phase. Among the six DFT functionals (single and double hybrids) benchmarked against MP2(full), it was found that the double hybrid functional B2PLYPD3 has some ability to reproduce the intermolecular geometries and binding energies. The intermolecular geometries and binding energies of all nine dimers are discussed, together with the charge density topological aspects of the chemical bonding interactions that emerge from the application of the quantum theory of atoms in molecules (QTAIM), the isosurface topology of the reduced density gradient noncovalent index, interaction region indicator and independent gradient model (IGM) approaches. While the electrostatic surface potential model fails to explain the origin of the S···S interaction in the (MoS2)2 dimer, we show that the intermolecular bonding interactions in all nine dimers examined are a result of hyperconjugative charge transfer delocalizations between the lone-pair on (Ch/Ch′) and/or the π-orbitals of a Mo–Ch/Ch′ bond of one monomer and the dπ* anti-bonding orbitals of the same Mo–Ch/Ch′ bond in the second monomer during dimer formation, and vice versa. The HOMO–LUMO gaps calculated with the MN12-L functional were 0.9, 1.0, and 1.1 eV for MoTe2, MoSe2 and MoS2, respectively, which match very well with the solid-state theoretical (SCAN-rVV10)/experimental band gaps of 0.75/0.88, 0.90/1.09 and 0.93/1.23 eV of the corresponding systems, respectively. We observed that the gas phase dimers examined are perhaps prototypical for a basic understanding of the interfacial/inter-layer interactions in molybdenum-based dichalcogenides and their derivatives.

Sample size for canonical correlation analysis in corn

The canonical correlation analysis has been successfully used in many areas aiming to extract important information from a pair of data sets. Thus, the objective of this work was to determine the sample size (number of plants) required to estimate the canonical correlations in corn characteristics. Six characteristics were measured in 361, 373, and 416 plants, respectively, of the single, three-way and double cross hybrids of the 2008/2009 crop year and in 1,777, 1,693, and 1,720 plants, respectively, of the single, three-way, and double cross hybrids (2009/2010 crop) (six cases). The canonical correlation analyses were carried out between characteristics group of the plant architecture (plant height at harvest and ear insertion height) versus grain production (hundred grains mass and grains mass per plant) (scenario 1), and dimensions of ear (ear length and ear diameter) versus grain production (hundred grains mass and grains mass per plant) (scenario 2). The sample size (number of plants) for the estimation of canonical correlations was determined by resampling with replacement and application of the model linear response with plateau. Measuring 270 plants is sufficient to estimate the canonical correlation between groups with two characteristics in each group for corn. This sample size can be used as reference for reliable canonical correlation analysis.

Test and Analysis of TIG-MIG Hybrid Welding Are

A high-speed camera is used to observe the arc starting and arc stabilization process of the TIG-MIG hybrid welding system. Paschen’s law is used to analyze the path of TIG welding arc breakdown under the condition of the conductive channel provided by the MIG welding arc, and the arc starting process of the double arc hybrid welding is determined. The study found that when the electrode spacing is less than 8.5 mm, two molten pools can form a common molten pool after arc initiation of MIG welding; when the spacing is 10 mm, the two molten pools after arc initiation form a “8” shape; When the distance is 12 mm, there is a low temperature zone between the two arcs, which is separated.

S66x8 noncovalent interactions revisited: new benchmark and performance of composite localized coupled-cluster methods.

The S66x8 noncovalent interactions benchmark has been re-evaluated at the "sterling silver" level, using explicitly correlated MP2-F12 near the complete basis set limit, CCSD(F12*)/aug-cc-pVTZ-F12, and a (T) correction from conventional CCSD(T)/sano-V{D,T}Z+ calculations. The revised reference values differ by 0.1 kcal mol-1 RMS from the original Hobza benchmark and its revision by Brauer et al., but by only 0.04 kcal mol-1 RMS from the "bronze" level data in Kesharwani et al., Aust. J. Chem., 2018, 71, 238-248. We then used these to assess the performance of localized-orbital coupled cluster approaches with and without counterpoise corrections, such as PNO-LCCSD(T) as implemented in MOLPRO, DLPNO-CCSD(T1) as implemented in ORCA, and LNO-CCSD(T) as implemented in MRCC, for their respective "Normal", "Tight", and "very Tight" settings. We also considered composite approaches combining different basis sets and cutoffs. Furthermore, in order to isolate basis set convergence from domain truncation error, for the aug-cc-pVTZ basis set we compared PNO, DLPNO, and LNO approaches with canonical CCSD(T). We conclude that LNO-CCSD(T) with veryTight criteria performs very well for "raw" (CP-uncorrected), but struggles to reproduce counterpoise-corrected numbers even for veryveryTight criteria: this means that accurate results can be obtained using either extrapolation from basis sets large enough to quench basis set superposition error (BSSE) such as aug-cc-pV{Q,5}Z, or using a composite scheme such as Tight{T,Q} + 1.11[vvTight(T) - Tight(T)]. In contrast, PNO-LCCSD(T) works best with counterpoise, while performance with and without counterpoise is comparable for DLPNO-CCSD(T1). Among more economical methods, the highest accuracies are seen for dRPA75-D3BJ, ωB97M-V, ωB97M(2), revDSD-PBEP86-D4, and DFT(SAPT) with a TDEXX or ATDEXX kernel.

Δ-Machine learning-driven discovery of double hybrid organic–inorganic perovskites

The anisotropy of organic cations and Δ-machine learning were considered in predicting bandgaps of double hybrid organic–inorganic perovskites (DHOIPs). 19 promising DHOIPs with appropriate bandgaps for solar cells were screened out from 78 400 DHOIP.

Híbridos duplos experimentais de milho verde cultivado sob baixa e alta disponibilidade de fósforo

ABSTRACT A serious problem in fresh corn growing regions is the low availability of phosphorus (P), especially in the Cerrado (Brazilian Savanna) biome. This study aimed to evaluate the performance of experimental double hybrids of fresh corn intended to in natura consumption grown under low and high P availability. A randomized blocks experimental design was used, in a 2 × 21 factorial arrangement, consisting of two P availabilities (37.5 and 75 mg dm−3 of P2O5) and 21 corn hybrids, with 9 replications. The following variables were evaluated: ear insertion height, plant height, male and female flowering, ear length and diameter, grain weight, husked and unhusked ear weight. The best quality and yield for the corn market focused on in natura consumption were observed for the experimental double hybrids DH94 and DH102 under low P availability and for DH71 and DH81 under high P availability. The DH81 hybrid performs better for the consumer market, regardless of the P availability, and, therefore, has versatility and aptitude for this market and for different technological levels.

Accurate predictions of the electronic excited states of BODIPY based dye sensitizers using spin-component-scaled double-hybrid functionals: a TD-DFT benchmark study.

The vertical excitation energies of 13 BODIPY based dye sensitizers are benchmarked by means of TD-DFT, using 36 functionals from different DFT rungs. Most TD-DFT results were found to overestimate the excitation energies, and show mean absolute error (MAE) values in the range 0.2–0.5 eV. The dispersion-corrected, spin-component-scaled, double-hybrid (DSD) functionals DSD-BLYP and DSD-PBEP86 were found to have the smallest MAE values of 0.083 eV and 0.106 eV, respectively, which is close to the range of average errors found in the more expensive coupled-cluster methods. Moreover, DSD-BLYP and DSD-PBEP86 functionals show excellent consistency and quality of results (standard deviation = 0.048 eV and 0.069 eV respectively). However, the range separated hybrid (RSH) and the range separated double hybrid (RSDH) functionals were found to provide the best predictability (linear determination coefficient R2 > 0.97 eV).

Systematic Evaluation of Modern Density Functional Methods for the Computation of NMR Shifts of 3d Transition-Metal Nuclei.

A wide range of density functionals from all rungs of Jacob's ladder have been evaluated systematically for a set of experimental 3d transition-metal NMR shifts of 70 complexes encompassing 12 × 49Ti, 10 × 51V, 10 × 53Cr, 11 × 55Mn, 9 × 57Fe, 9 × 59Co, and 9 × 61Ni shift values, as well as a diverse range of electronic structure characteristics. The overall 39 functionals evaluated include one LDA, eight GGAs, seven meta-GGAs (including their current-density-functional─CDFT─versions), nine global hybrids, four range-separated hybrids, eight local hybrids, and two double hybrids, and we also include Hartree-Fock and MP2 calculations. While recent evaluations of the same functionals for a very large coupled-cluster-based benchmark of main-group shieldings and shifts achieved in some cases aggregate percentage mean absolute errors clearly below 2%, the best results for the present 3d-nuclei set are in the range between 4 and 5%. Strikingly, the overall best-performing functionals are the recently implemented CDFT versions of two meta-GGAs, namely cM06-L (4.0%) and cVSXC (4.3%), followed by cLH14t-calPBE (4.9%), B3LYP (5.0%), and cLH07t-SVWN (5.1%), i.e., the previously best-performing global hybrid and two local hybrids. A number of further functionals achieve aggregate deviations in the range 5-6%. Range-separated hybrids offer no particular advantage over global hybrids. Due to the overall poor performance of Hartree-Fock theory for all systems except the titanium complexes, MP2 and double-hybrid functionals are unsuitable for these 3d-nucleus shifts and provide large errors. Global hybrid functionals with larger EXX admixtures, such as BHLYP or M06-2X, also perform poorly, and some other highly parametrized global hybrids also are unsuitable. For many functionals depending on local kinetic energy τ, their CDFT variants perform much better than their "non-CDFT" versions. This holds notably also for the above-mentioned M06-L and VSXC, while the effect is small for τ-dependent local hybrids and can even be somewhat detrimental to the agreement with experiment for a few other cases. The separation between well-performing and more poorly performing functionals is mainly determined by their results for the most critical nuclei 55Mn, 57Fe, and 59Co. Here either moderate exact-exchange admixtures or CDFT versions of meta-GGAs are beneficial for the accuracy. The overall deviations of the better-performing global or local hybrids are then typically dominated by the 53Cr shifts, where triplet instabilities appear to disfavor exact-exchange admixture. Further detailed analyses help to pinpoint specific nuclei and specific types of complexes that are challenges for a given functional.

An Integrated Double Hybrid Fusion Approach for Image Smoothing

Often in practice, during the process of image acquisition, the acquired image gets degraded due to various factors like noise, motion blur, mis-focus of a camera, atmospheric turbulence, etc. resulting in the image unsuitable for further analysis or processing. To improve the quality of these degraded images, a double hybrid restoration filter is proposed on the two same sets of input images and the output images are fused to get a unified filter in combination with the concept of image fusion. First image set is processed by applying deconvolution using Wiener Filter (DWF) twice and decomposing the output image using Discrete Wavelet Transform (DWT). Similarly, second image set is also processed simultaneously by applying Deconvolution using Lucy–Richardson Filter (DLR) twice followed by the above procedure. The proposed filter gives a better performance as compared to DWF and DLR filters in case of both blurry as well as noisy images. The proposed filter is compared with some standard deconvolution algorithms and also some state-of-the-art restoration filters with the help of seven image quality assessment parameters. Simulation results prove the success of the proposed algorithm and at the same time, visual and quantitative results are very impressive.

Azepine- or Oxepine-embedded Double Saddle-Helix Nanographenes.

The azepine- and oxepine-embedded polycyclic aromatic hydrocarbons (PAH) 1-3, as the hexa-peri-hexabenzocoronene (HBC)-based nanographenes (NG) were designed and synthesized by Diels-Alder reaction of cyclic alkene with tetrachlorothiophene-S,S-dioxide, followed by Suzuki-Miyaura cross-coupling and Scholl-type cyclodehydrogenation. Due to the strained seven-membered ring and the inherent structural pattern, heteroatom-doped NGs 1-3 show Cs symmetrical, double saddle-helix hybrid conformation, which represents a new shape for HBC based nanographenes. The calculation studies reveal the low aromaticity of the 8π heterocycles themselves and the heterocycles also decrease the electron delocalization of benzenes surrounding them. Dynamics-based calculation suggests the Cs symmetry would maintain druing the saddle-inversion process. Meanwhile, we show property perturbation by doping with different heteroatoms.

Fragmentation efficiency of phenethylamines in electrospray ionization source estimated by theoretical chemistry calculation.

Small molecules with polar functional groups, including substituted phenethylamines, are commonly analyzed by liquid chromatography-mass spectrometry (LC-MS) with electrospray ionization (ESI). Analyte molecules are mostly detected in protonated and cation-adducted forms through positive-ion electrospray ionization-mass spectrometry (ESI-MS). However, the ESI of substituted phenethylamines commonly provides an intense signal of fragment ions by ESI in-source collision-induced dissociation (IS-CID), which hinders the unambiguous identification of phenethylamines. This phenomenon was approximated as a unimolecular dissociation model, and the dissociation efficiency was evaluated by various quantum chemistry calculations to determine the ESI IS-CID efficiency. The calculated results were consistent with the experimental data, when the dissociation threshold energy of phenethylamines was calculated using the post-Hartree-Fock (post-HF) method, CCSD(t)/cc-pVTZ//MP2(full)/6-311++G(d,p). In contrast to post-HF methods, the utilization of density functional theory calculations with a suitable functional is recognized as an accurate and competitive low-cost approach. In particular, ωB97-XD, M06-2X-D3, and recently developed Minnesota functionals, such as M11, MN12-SX, and MN15, provided reliable results, as in the case of the post-HF method. The results obtained by the recently developed double hybrid functionals, DSD-PEBP86-D3(BJ), PBE0-DH, and PBE-QIDH, were also reliable. The consideration of ESI IS-CID can facilitate the identification of analyte molecules because most phenethylamines, except for N-methylated analogs, provide an intense signal in the ESI mass spectrum.

Constructing nickel cobaltate @nickel-manganese layered double hydroxide hybrid composite on carbon cloth for high-performance flexible supercapacitors

Flexible supercapacitors have received considerable interest owing to their potential application in wearable electronics. Designing subtle hybridization of active materials and constructing smart electrode architectures are effective strategies for developing high-performance flexible supercapacitors. Herein, a hierarchically hybrid electrode is engineered by integrating nanoneedle-like structural NiCo2O4 and NiMn layered double hydroxide (NiMn-LDH) composite on highly conductive carbon cloth (CC). This architecture can endow abundant active sites, rapid electron collection pathways and efficient ion transport channels. The resultant hybrid electrode delivers high areal capacitance of 4010.4 mF cm−2, excellent cyclic stability and good rate performance. Furthermore, by pairing with an activated carbon (AC)/CC anode, a flexible solid-state asymmetric supercapacitor (ASC) is assembled, which exhibits the high areal energy/power density of 0.78 mWh cm−2/40.4 mW cm−2 and superior capacitive stability at bending deformation. Meanwhile, the assembled ASC possesses outstanding cycling stability with 97.7% capacitance retention after 10,000 cycles. This work presents the effects of rational design of hybrid electrode with high electrochemical properties and flexibility, holding great potential for flexible energy storages.

Regularized Second-Order Møller-Plesset Theory: A More Accurate Alternative to Conventional MP2 for Noncovalent Interactions and Transition Metal Thermochemistry for the Same Computational Cost.

Second-order Møller-Plesset theory (MP2) notoriously breaks down for π-driven dispersion interactions and dative bonds in transition metal complexes. Herein, we investigate three physically justified forms of single-parameter, energy-gap dependent regularization which can yield high and transferable accuracy for a variety of noncovalent interactions (including S22, S66, and L7 test sets) and (mostly closed shell) transition metal thermochemistry. Regularization serves to damp overestimated pairwise additive contributions, renormalizing first-order amplitudes such that the effects of higher-order correlations are incorporated. The optimal parameter values for the noncovalent and transition metal sets are 1.1, 0.7, and 0.4 for κ, σ, and σ2 regularizers, respectively. However, such regularization slightly degrades the accuracy of conventional MP2 for some small-molecule test sets, most of which have relatively large average frontier energy gaps. Our results suggest that appropriately regularized MP2 models may improve double hybrid density functionals, at no additional cost over conventional MP2.

An experimental investigation on passive and hybrid roof cooling systems with a double skin envelope

ABSTRACT Indoor air temperatures and energy consumption of residential building is increasing at an alarming rate. The design and development of passive and hybrid roof cooling systems with effective cooling techniques play a vital role in improving the thermal performance especially in arid regions. This study investigates the energy efficiency of five laboratory models of double skin passive and hybrid roof cooling systems. A comparative study on the thermal performance of these five systems reveals a highest 14.5°C (41%) and 69oC (79%) reduction in the room and roof surface temperature with double skinned evaporative cooling roof system with forced convection. Similarly, significant reduction in room air and roof surface temperatures are also observed with the other types of double skin passive and hybrid roof cooling systems in comparison with the reference system. The studies have conclusively proven that the double skin passive and hybrid roof cooling systems can appreciably reduce the indoor air and roof surface temperature of residential and commercial buildings. Abbreviations RM: Reference Model; SAV: Standard air ventilated; CAV: Composite insulator air ventilated; FAV: Cooling fan air ventilated; EAV: Evaporative cooling air ventilated; ERAV: Evaporative cooling with radiation reflector Air ventilated

Photocatalytic Water Oxidation by Phosphotungstate and Mg-Al Layered Double Hydroxide Hybrid

Abstract Immobilization of phosphotungstate ([PW12O40]3−) in the interlayer space of a Mg-Al layered double hydroxide (LDH) resulted in an absorption edge at ∼350 nm, different from the pristine LDH or the POM (either in aqueous solution or in the solid state). The obtained hybrid showed enhanced photocatalytic activity for water oxidation in the presence of Ag+ as an electron acceptor.