Double Transfer Research Articles

Numerical investigation of reaction driven magneto-convective flow of Sisko fluid

In many geothermal engineering applications involving exothermic chemical reactions, gravity, and buoyancy forces significantly enhance yields, especially during the thermal and catalytic cracking involving high temperature and concentration differences of some heavy hydrocarbons. This investigation deals with the numerical examination of nonlinear double convective flow, heat, and mass transfer of reactive Sisko fluid based on chemical kinetics theory for fluid flowing through a nondeformable porous medium. The governing equations are formulated and made dimensionless, and numerical results are obtained by applying the Spectral Chebyshev Collocation Method and validated with the Shooting-RK4 method. The effects of several parameters on the flow, heat, mass transfer, and thermal stability of the combustible fluid are documented in graphical and tabular forms, with detailed explanations. The computation reveals that buoyancy forces and Frank–Kamenetskii parameters encourage a velocity and temperature distribution rise. This analysis gives an insight into friction reduction in many heat and mass transfer thermophysical systems such as automobiles, power generations, and lots more.

Unraveling the Role of Humic Acid in the Oxidation of Phenolic Contaminants by Soluble Manganese Oxo-Anions.

Humic acid (HA) is ubiquitous in natural aquatic environments and effectively accelerates decontamination by permanganate (Mn(VII)). However, the detailed mechanism remains uncertain. Herein, the intrinsic mechanisms of HA's impact on phenolics oxidation by Mn(VII) and its intermediate manganese oxo-anions were systematically studied. Results suggested that HA facilitated the transfer of a single electron from Mn(VII), resulting in the sequential formation of Mn(VI) and Mn(V). The formed Mn(V) was further reduced to Mn(III) through a double electron transfer process by HA. Mn(III) was responsible for the HA-boosted oxidation as the active species attacking pollutants, while Mn(VI) and Mn(V) tended to act as intermediate species due to their own instability. In addition, HA could serve as a stabilizer to form a complex with produced Mn(III) and retard the disproportionation of Mn(III). Notably, manganese oxo-anions did not mineralize HA but essentially changed its composition. According to the results of Fourier-transform ion cyclotron resonance mass spectrometry and the second derivative analysis of Fourier-transform infrared spectroscopy, we found that manganese oxo-anions triggered the decomposition of C-H bonds on HA and subsequently produced oxygen-containing functional groups (i.e., C-O). This study might shed new light on the HA/manganese oxo-anion process.

Preparation of a functional monomer containing polymerisable double bonds and chain transfer sulfhydryl groups

ABSTRACT Methacrylate functional monomers containing polymerisable double bonds and sulphhydryl group were synthesised using (methyl) hydroxyethyl (propyl) acrylate and mercaptopropionic acid as precursors with benzene (toluene, ethyl acetate, ether) as solvent and aqueous agent, p-toluene sulphonic acid as catalyst, hydroquinone as polymerisation inhibitor. The yield of methacrylate functional monomers was more than 90%. The structure and purity of methacrylate functional monomers was characterised by proton nuclear magnetic resonance (1H-NMR) and liquid chromatography–mass spectrometry (LC-MS). The precursor material source is of low cost and widely available, and the product did not need to be purified by a special method, which means that it can be directly used for the synthesis of vinyl branched polymer. Therefore, the price of vinyl branched polymer can be greatly reduced and the application range of vinyl branched polymer can be greatly expanded.

Double S-scheme Cu2−xSe/twinned-Cd0.5Zn0.5S homo-heterojunctions with surface plasmon effects for efficient photocatalytic H2 evolution

The enhancement of charge separation and utilization efficiency in both the bulk phase and interface of semiconductor photocatalysts, as well as the expansion of light absorption range, are crucial research topics in the field of photocatalysis. To address this issue, twinned Cd0.5Zn0.5S (T-CZS) homojunctions consisting of wurtzite Cd0.5Zn0.5S (WZ-CZS) and zinc blende Cd0.5Zn0.5S (ZB-CZS) were synthesized via a hydrothermal method to facilitate the bulk-phase charge separation. Meanwhile, Cu2−xSe with localized surface plasmon resonance effect (LSPR) generated by Cu vacancies was also obtained through a hydrothermal process. Due to their opposite electronegativity, a solvent evaporation strategy was employed to combine Cu2−xSe and T-CZS by intermolecular electrostatic. After optimization, the photocatalytic hydrogen (H2) evolution rate of 5 wt% Cu2−xSe/T-CZS reached an impressive value of 60 mmol∙h−1∙g−1, which was 4.6 and 66.6 times higher than that of pure Cu2−xSe and T-CZS, respectively. Furthermore, this composites demonstrated a remarkable rate of 0.46 mmol∙h−1∙g−1 under near-infrared (NIR) wavelength (>800 nm). The enhanced performance observed in Cu2−xSe/T-CZS can be attributed to its unique and efficient double S-scheme charge transfer mechanism which effectively suppresses rapid recombination of electron-hole pairs both within the bulk phase and at the surface interfaces; this conclusion is supported by Density Functional Theory (DFT) calculations as well as electron paramagnetic resonance spectroscopy analysis. Moreover, incorporation of Cu2−xSe enables effective utilization ultraviolet visible-near infrared (UV–Vis-NIR) light by the composites while facilitating injection “hot electrons” into T-CZS for promoting photocatalytic reactions. This study provides a potential strategy for achieving efficient solar energy conversion through synergistic integration of non-stoichiometric plasmonic materials with photocatalysts with twinned-twinned structures.

(1RS,3SR)-1-(4-Methylbenzyl)-7-phenyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-one

The previously unknown cyclopropane spiro-fused with isoxazol-5-one ((1RS,3SR)-1-(4-methylbenzyl)-7-phenyl-5-oxa-6-azaspiro[2.4]hept-6-en-4-one) was synthesized from benzylideneisoxazol-5-one in 34% yield via double methylene transfer from diazomethane. The structure of the compound was established based on 1H, 13C, and 2D NMR spectroscopy and high-resolution mass spectrometry, and confirmed by X-ray diffraction analysis.

Delayed nerve reconstruction for brachial plexus injuries: is the risk worth the reward?

Nerve reconstruction after 6 months of denervation time in brachial plexus injuries (BPIs) can be inconsistent. A dilemma exists when the use of critical donor nerves for nerve transfers may lead to unreliable outcomes that would waste the donor nerve. The purpose of this study was to evaluate the long-term outcomes of elbow and shoulder function in patients with BPIs receiving nerve reconstruction in the delayed setting (i.e., 6-12 months after injury). Data from patients with delayed BPIs who received a nerve transfer (including proximal and distal nerve transfer/grafting) at a tertiary medical center were retrospectively collected from January 1999 to March 2020. Demographics, extent of injury, mechanism of injury, and reconstructive methods were collected. Patients were categorized into two groups: non-pan-plexus BPI (C5-6, C5-7, and C5-8) and pan-plexus BPI (C5-T1). Acceptable outcome was defined as elbow flexion ≥ M3 status or shoulder abduction ≥ 60°. Sixty-four patients were included in the study. The average time from injury to nerve reconstruction was 236 (range 180-441) days, and the average follow-up time was 66 months. In the non-pan-plexus BPI group (n = 43 patients), 74.4% of patients demonstrated M3 elbow flexion, and 48.8% of patients demonstrated M4 elbow flexion. Double fascicular transfer yielded better results and faster recovery than a single fascicular transfer. In the pan-plexus BPI group (n = 21 patients), 38.1% of patients reached M3 elbow flexion and 23.8% attained M4 elbow flexion. In the non-pan-plexus BPI group, the recovery rate of acceptable shoulder abduction was 53.5%, but only 23.5% of pan-plexus patients with BPI achieved acceptable shoulder abduction. Nerve reconstruction can effectively restore functional elbow flexion and acceptable shoulder abduction in non-pan-plexus patients with BPI in the delayed setting. However, neither acceptable elbow flexion nor shoulder abduction could be consistently achieved in pan-plexus BPI. Judicious use of the donor nerves in pan-plexus injuries is required, in addition to preserving a donor nerve for a backup plan such as free-functioning muscle transplantation or tendon transfers.

Investigating double-diffusive natural convection in a sloped dual-layered homogenous porous-fluid square cavity

This article investigates natural convection with double-diffusive properties numerically in a vertical bi-layered square enclosure. The cavity has two parts: one part is an isotropic and homogeneous porous along the wall, and an adjacent part is an aqueous fluid. Adiabatic, impermeable horizontal walls and constant and uniform temperatures and concentrations on other walls are maintained. To solve the governing equations, the finite element method (FEM) employed and predicted results shows the impact of typical elements of convection on double diffusion, namely the porosity thickness, cavity rotation angle, and thermal conductivity ratio. Different Darcy and Rayleigh numbers effects on heat transfer conditions were investigated, and the Nusselt number in the border of two layers was obtained. The expected results, presented as temperature field (isothermal lines) and velocity behavior in X and Y directions, show the different effects of the aforementioned parameters on double diffusion convective heat transfer. Also results show that with the increase in the thickness of the porous layer, the Nusselt number decreases, but at a thickness higher than 0.8, we will see an increase in the Nusselt number. Increasing the thermal conductivity ratio in values less than one leads to a decrease in the average Nusselt number, and by increasing that parameter from 1 to 10, the Nusselt values increase. A higher rotational angle of the cavity reduces the thermosolutal convective heat transfer, and increasing the Rayleigh and Darcy numbers, increases Nusselt. These results confirm that the findings obtained from the Finite Element Method (FEM), which is the main idea of this research, are in good agreement with previous studies that have been done with other numerical methods.

The effect of an extended culture period on birth weight among singletons born after single or double vitrified embryo transfer.

To evaluate the effect of an extended culture period on birth weight among singletons born after vitrified-warmed embryo transfer. A retrospective cohort study was performed among 12400 women who gave birth to 1015, 1027, 687, and 9671 singletons after single blastocyst transfer, single cleavage-stage embryo transfer, double blastocyst transfer, and double cleavage-stage embryo transfer, respectively. The unadjusted birth weight of singletons born after vitrified blastocyst transfer were heavier than those born after cleavage-stage transfer (β=30.28, SE=13.17, P=0.022), as were the adjusted birth weights (β=0.09, SE=0.03, P=0.007). In addition, there was a 37% increased odd of having an infant with high birth weight after vitrified blastocyst transfer compared with vitrified cleavage stage transfer (OR=1.37, 95% CI:1.07-1.77). The unadjusted and adjusted birth weight and odds of having an infant with high birth weight significantly increased after blastocyst transfer compared with cleavage-stage embryo transfer in vitrified-warmed cycles.

Electrocatalytically enhanced Cu(II)/peroxymonosulfate (PMS) oxidation: Focus on electrically-induced sustained Cu(II)/Cu(I)/Cu(III) cycling and suppression of singlet oxygen (1O2) production

Numerous azo dyes are discharged into industrial wastewater annually, posing significant threats to ecology and human health. In this study, an applied electric field was implemented in a trace copper-activated peroxymonosulfate system (EC/Cu(II)/PMS), achieving high removal efficiency (95.40 %) of Congo red (CR). The electron-donating effect of the cathode greatly enhanced the redox cycling of Cu(II)/Cu(I). Almost complete activation of PMS occurred during the entire reaction with an electrical consumption of merely 0.85 kWh/m3. Using electron paramagnetic resonance (EPR), quenching experiments, and chemical probes, the reactive substance that dominate CR removal, including Cu(III), sulfate radical (SO4•−), hydroxyl radical (HO∙), and singlet oxygen (1O2), were investigated. Cu(III) was identified as the main reactive substance, contributing over 90 %, and was primarily formed through double electron transfer of Cu(I). HO∙ can emerge as a secondary oxide of Cu(III). SO4•− originated mainly from the electroactivation of PMS. It was noted that 1O2 can be physically quenched by water, and thus 1O2 was considered as a side reaction product of PMS. Applying an electric field lowered the overall production of 1O2 and markedly mitigated the inefficient consumption of PMS. Moreover, the degradation pathways proposed for CR, based on mass spectrometry analysis, were in agreement with the predictions made by density functional theory (DFT). The toxicological characteristics of both CR and its intermediates were comprehensively analyzed as well. The study presents a straightforward and efficient strategy for PMS activation with versatile application potential for dye wastewater treatment.

A photoelectrochemical aptasensor based on double Z-scheme α-Fe2O3/MoS2/Bi2S3 ternary heterojunction for sensitive detection of circulating tumor cells.

A novel photoelectrochemical (PEC) aptasensor based on a dual Z-scheme α-Fe2O3/MoS2/Bi2S3 ternary heterojunction for the ultrasensitive detection of circulating tumor cells (CTCs) was developed. The α-Fe2O3/MoS2/Bi2S3 nanocomposite was prepared via a step-by-step route, and the photoproduced electron/hole transfer path was speculated by conducting trapping experiments of reactive species. α-Fe2O3/MoS2/Bi2S3-modified electrodes exhibited greatly enhanced photocurrent under visible light due to the double Z-scheme charge transfer process, which met the requirement of the PEC sensor for detecting larger targets. After the aptamer was conjugated on the photoelectrode through chitosan (CS) and glutaraldehyde (GA), when MCF-7 cells were presented and captured, the photocurrent of the PEC biosensing system decreased due to steric hindrance. The current intensity had a linear relationship with the logarithm of MCF-7 cell concentration ranging from 10 to 1×105 cellsmL-1, with a low detection limit of 3 cellmL-1 (S/N = 3). The dual Z-scheme α-Fe2O3/MoS2/Bi2S3 ternary heterojunction-modified PEC aptasensor exhibited high sensitivity and excellent specificity and stability. Additionally, MCF-7 cells in human serum were determined by this PEC aptasensor, exhibiting great potential as a promising tool for clinical detection.

Synthesis of Dihydroquinoxalinones from Biomass-Derived Keto Acids and o-Phenylenediamines.

A novel catalyst-free cascade amination/cyclization/reduction reaction was developed for the synthesis of various Dihydroquinoxalinones under mild conditions from accessible biomass-derived keto acids and 1,2-phenylenediamines with ammonia borane as a hydrogen donor. This single-step approach enables a simple and eco-friendly route toward the direct synthesis of 12 kinds of Dihydroquinoxalinones in moderate to excellent yields in the green solvent dimethyl carbonate. The results of deuterium-labeling experiments and density function calculations demonstrate that the reductive process proceeds along a double hydrogen transfer pathway. An acceptable yield of Dihydroquinoxalinone can be afforded in a gram-scale experiment, illustrating the practicality of the as-reported reaction system.

Finite element based computational analysis to study the effects of baffle and fin on the performance assessment of solar collector

The present work aims to develop an ideal solar collector layout through a finite element-based parametric study. The thermohydraulic performance factor of the solar collector was investigated with the placement of baffles and fins on the absorber plate. The cross-flow, channel, and twist designs of three alternative baffle/fin configurations were parametrised, and the heat transfer throughout the collector was analysed using COMSOL Multiphysics software. The parametrised design for cross-flow was the angle of solid baffle as 30°, 35° and 40°; whereas, for channel and twist design, the distance between the fins was varied at 50, 100 and 150 mm. The simulated result manifested that channel design had highest convective heat transfer coefficient of 21–27 W m−2 K−1, followed by cross-flow and twist design. Contrarily, twist and cross-flow design had lowest pressure drops of 0.6–1.27 Pa and 0.60–1.06 Pa, respectively, while channel design showed maximum pressure loss (35–467 Pa). The average overall thermal efficiency for cross-flow, channel, and twist design was 76.16 %, 74.26 %, and 70.65 %, respectively. The average thermohydraulic performance factor for cross flow and twist design was 11.25 % and 0.48 % higher, whereas 248.22 % lower for channel design compared to flat plate collector. The performance of the cross-flow 30 design was best out of all the designs in terms of the thermohydraulic performance factor, outlet temperature, pressure drop, and flow homogeneity inside the collector. Cross-flow 30 demonstrated a minimum friction factor of 0.004, comparable to a flat plate collector and had a double heat transfer coefficient.

Blasius–Rayleigh–Stokes nanofluid dusty flow influenced by Cattaneo–Christov double diffusion and melting heat transfer — application of response surface methodology

This paper focuses on the study of Blasius–Rayleigh–Stokes nanofluid dusty flow with generalized Fourier and Fick laws under the influence of a transitive magnetic field. The Blasius–Rayleigh–Stokes nanofluid dusty flow has significant applications in various fields, including the design of heat exchangers, microfluidic devices and industrial processes involving the transportation of suspended particles in fluids. This paper considers the impact of melting heat transfer at the surface boundary. By employing relevant transformations, the mathematical model is transformed into a system of self-similar equations. The solution to this set of highly nonlinear equations is obtained using the bvp4c numerical method in combination with the response surface methodology (RSM) statistical approach. The results are presented through graphical illustrations and numerically calculated tabulated values. It is observed that the fitted model for the skin friction coefficient [Formula: see text] optimal. Moreover, the model parameters [Formula: see text], Q, [Formula: see text], M and L are linearly and quadratically significant in explaining the variation presented for skin friction coefficient [Formula: see text]. This indicates the response skin friction coefficient [Formula: see text] is minimized to 0.005 at [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text] and [Formula: see text] and is maximized to 1.387 at [Formula: see text], [Formula: see text], [Formula: see text], [Formula: see text] and [Formula: see text].

Single versus double blastocyst transfer in first and second frozen-thawed embryo transfer cycle in advance-aged women: a two-center retrospective cohort study.

The present evidence is deficient for the trade-offs between the pros and cons of single blastocyst transfer (SBT) versus double blastocyst transfer (DBT) in frozen-thawed embryo transfer cycles for women in advanced reproductive age, especially in the second cycle. The current study aimed to investigate the impact of transferred blastocyst numbers on pregnancy outcomes in the first and second embryo transfer for women ≥ 35 years. This was a retrospective cohort study including 1284 frozen-thawed blastocyst transfer (FBT) cycles from two reproductive centers. We analyzed the pregnancy outcomes after SBT and DBT in the first and second FBT cycles. Moreover, stratified analysis was conducted by maternal age. In the first FBT cycle, the LBR was higher in the DBT group than that in the SBT group [52.3% vs. 33.9%; adjusted odds ratio (aOR), 1.65; 95% confidence interval (CI), 1.26-2.15, P < 0.001]. However, the LBR of the DBT group showed no remarkable difference compared with that of the SBT group in the second cycle of FBT (44.3% vs. 33.3%; aOR, 1.30; 95% CI, 0.81-2.08; P = 0.271). Furthermore, stratified analysis by age showed a higher LBR for the DBT group than the SBT group in patients aged 38-42 years (43.1% vs. 33.9%; aOR, 2.27; 95% CI, 1.05-4.90; P = 0.036). The present study demonstrated that the SBT regimen is a better choice for both, the first and second frozen-thawed embryo transfer cycles, for women aged 35-37 years. Additionally, the DBT regimen is still recommended to achieve a high LBR in women aged 38-42 years in the second FBT cycle. These findings may be beneficial for deciding the embryo transfer regimens in women of advanced reproductive age.

Heat and Mass Transfer on Unsteady MHD Chemically Reacting Rotating Flow of Jeffrey Fluid Past an Inclined Plates under the Impact of Hall Current, Diffusion Thermo and Radiation Absorption

An analytical solution for two dimensional unsteady MHD free convective double diffusive heat and mass transfer rotating flow of viscous incompressible optically thin non Newtonian fluid (jeffrey fluid) past a semi-infinite porous plate in the presence of generation of heat absorption with hall current, radiation absorption and Dufour effects are presented in this paper. Lorentz force is applied perpendicular direction to the plate with a first-order chemical reaction. The governing PDEs transformed into ODEs by applying the perturbation technique. The effects of various physical parameters like Hall current, heat absorption, radiation parameter, radiation absorption parameter, Grashof number, modified Grashof number, Dufour effect, magnetic field parameter, inclined angle, chemical reaction parameter, etc., are studied with graphically. Temperature profile is increased by raising the values of Dufour effect, radiation absorption parameter and reverse effect of the heat absorption parameter and also concentration profile distribution is downfall by raising the values of Schmited number, chemical reaction parameter. Another significant finding of the current study is that the numerical data are displayed with the use of Matlab programmes to investigate the outcomes of the skin friction solution. the rate of heat and mass transfer at the wall rising under the influence of Dufour effect. Tables, graphs, and reports can be used to display the impact of all pertinent parameters.

Graphdiyne (g-CnH2n-2) nanosheets encapsulated Cu-Co Prussian blue Analogues formed double S-scheme heterojunction for wide spectrum photocatalytic H2 evolution

The frontier of sustainable energy research includes the advancement and creation of stable and efficient photocatalysts for the process of photocatalytic hydrogen evolution (PHE). Graphdiyne (GDY), an innovative carbon allotrope, demonstrates a narrow band gap and exceptional photogenerated charge mobility, making it extremely promising in the field of photocatalysis. In addition, Prussian Blue Analogues (PBA) are a unique category of metal–organic frameworks (MOFs) with open framework structures and strong stability. Compounds formed by ligands and various metal ions in PBA materials exhibit excellent performance. This work primarily enhances wide spectrum PHE by in situ growing GDY nanosheets onto Cu-Co PBA to construct a double S-scheme Cu-Co PBA@GDY/CuI (CCGC) heterojunction. The amorphous GDY can provide abundant active sites for photocatalytic hydrogen evolution reaction. Furthermore, the nanosheet properties of GDY were confirmed using Atomic Force Microscopy (AFM). The highest PHE rate of Cu-Co PBA@GDY/CuI-10 (CCGC-10) reaches 12947.8 μmol h−1 g−1 with a apparent quantum efficiency (AQE) of is 4.37 % at 520 nm, and exhibits good cycling stability. Based on the bandgap matching theory, the spatial behavior of photogenerated carriers in GDY, CuI, and Cu-Co PBA was effectively controlled, resulting in a close interface with a double S-scheme heterojunction charge transfer in Cu-Co PBA@GDY/CuI. The S-scheme photogenerated charge transfer pathway in CCGC was further confirmed through in-situ XPS, electron spin resonance (ESR) and work function (Wf). This work proposes a novel approach for the synthesis of solar energy conversion composite photocatalysts based on GDY and PBA.

MOF-mediated dual energy transfer nanoprobe integrated with exonuclease III amplification strategy for highly sensitive detection of DNA.

Accurate quantitative detection of DNA is an advanced strategy in various fields (such as disease diagnosis and environmental monitoring), but the classical DNA detection method usually suffers from low sensitivity, expensive thermal cyclers, or strict annealing conditions. Herein, a MOF-ERA platform for ultrasensitive HBV-DNA detection is constructed by integrating metal-organic framework (MOF)-mediated double energy transfer nanoprobe with exonuclease III (Exo III)-assisted target recycling amplification. The proposed double energy transfer containing a donor and two receptors is simply composed of MOFs (UiO-66-NH2, a well-studied MOF) modified with a signal probe formed by the hybridization of carboxyuorescein (FAM)-labeled DNA (FDNA) and black hole quencher (BHQ1)-terminated DNA (QDNA), resulting in low fluorescence signal. After the addition of HBV-DNA, Exo III degradation to FDNA is activated, leading to the liberation of the numerous FAM molecules, followed by the generation of a significant fluorescence signal owing to the negligible binding of MOFs with free FAM molecules. The results certify that the MOF-ERA platform can be successfully used to assay HBV-DNA in the range of 1.0-25.0 nM with a detection limit of 97.2 pM, which is lower than that without BHQ1 or Exo III. The proposed method with the superiorities of low background signal and high selectivity holds promise for early disease diagnosis and clinical biomedicine applications.

Design of an efficient energy based dual level co-operative route protocols in multiple hop WSNs

The design and implementation of an energy efficient dual stage cooperative routing protocol (DSCR) in multiple hop wireless nets is discussed in this paper in brief, with the goal of improving network life-time, boosting dependability, and reducing energy consumption. This contribution’s major goal is to propose an enhanced version of the double stage data transfer system that computes the routing path utilizing cooperative mechanisms and the notion of reduced node energy. The work presented here also includes talks, discussion and graphical representations of the various outcomes achieved for all of the test scenarios, as well as the relevant observations and explanations. The research paper comes to a close with the multiple hop networks’ overall conclusions remarks.

Computationally aided design of defect-appended aliphatic amines for CO2 activation within UiO-66.

The introduction of aliphatic amine groups in metal-organic frameworks (MOFs) can improve their ability to capture CO2 at low pressures, driven by chemisorptive formation of C-N bonds. Understanding the chemistry of amine-CO2 interaction within the confined porous space in MOFs is key to design and develop effective CO2 adsorbents. Here, we report a computational study of CO2 adsorption and subsequent formation of carbamic acid within defective UiO-66 functionalised with a series of four amino acids of varying aliphatic chain length (glycine, beta-alanine, gamma-aminobutyric acid and 5-aminovaleric acid). Periodic density functional theory (DFT) calculations suggest that CO2 can be activated by the aliphatic amines only when they are sufficiently close to each other to form hydrogen bonds and stabilise the adduct with CO2, a condition met only by UiO-66 functionalised with gamma-aminobutyric acid and 5-aminovaleric acid. The proposed mechanism involves the formation of a carbamate zwitterionic intermediate, which evolves via a simultaneous double hydrogen transfer with a proximal amine group to a carbamic acid. For the 5-aminovaleric acid case, it is suggested that even the functionalisation of just 16% of the available defective sites can be sufficient to form the CO2-amine adduct. Finally, we also investigate the effect of a possible protonation of the amine groups by the hydroxyl groups in the clusters, finding that this could lead to even more favourable interaction with CO2.

Double charge transfer processes enable a green multiple resonance-induced thermally activated delayed fluorescence emitter for an efficient narrowband OLED.

Benefitting from short-range charge transfer (SR-CT) and through-space charge transfer (TSCT) effects, an efficient green narrowband emitter, BNDCN, was developed. Owing to the synergistic effect of double CT processes, a BNDCN-based organic light-emitting diode showed a high external quantum efficiency of 32.3%.