Heavy Water Additive in Formamidinium: A Novel Approach to Enhance Perovskite Solar Cell Efficiency

Heavy water or deuterium oxide (D₂O) comprises deuterium, a hydrogen isotope twice the mass of hydrogen. Contrary to the disadvantages of deuterated perovskites, such as shorter recombination lifetimes and lower/invariant efficiencies, the serendipitous effect of D₂O as a beneficial solvent additive for enhancing the power conversion efficiency (PCE) of triple-A cation (cesium (Cs)/methylammonium (MA)/formaminidium (FA)) perovskite solar cells from ≈19.2% (reference) to 20.8% (using 1 vol% D₂O) with higher stability is reported. Ultrafast optical spectroscopy confirms passivation of trap states, increased carrier recombination lifetimes, and enhanced charge carrier diffusion lengths in the deuterated samples. Fourier transform infrared spectroscopy and solid-state NMR spectroscopy validate the N–H₂ group as the preferential isotope exchange site. Furthermore, the NMR results reveal the induced alteration of the FA to MA ratio due to deuteration causes a widespread alteration to several dynamic processes that influence the photophysical properties. First-principles density functional theory calculations reveal a decrease in PbI₆ phonon frequencies in the deuterated perovskite lattice. This stabilizes the PbI₆ structures and weakens the electron–LO phonon (Fröhlich) coupling, yielding higher electron mobility. Importantly, these findings demonstrate that selective isotope exchange potentially opens new opportunities for tuning perovskite optoelectronic properties.     

Sol–Gel Synthesis of MoO3/SiO2 Composite for Catalytic Application in Condensation of Anisole with Paraformaldehyde

MoO₃/SiO₂ composite with varying amounts of MoO₃ loading (1–20 wt.%) were prepared by sol–gel method and calcined at 500 °C. These catalysts were employed for the liquid phase condensation of anisole with paraformaldehyde. All the catalysts were characterized by N₂ sorption, XRD, and NH₃-TPD. The activities of synthesized MoO₃/SiO₂ catalysts were compared with p-toluene sulfonic acid (p-TSA), the most frequently used catalyst for the condensation reactions, and with a supported metal oxide (WO _x /ZrO₂). Under the similar reaction conditions, synthesized 10 wt.% MoO₃/SiO₂ catalyst calcined at 500 °C was found to be the most active in the condensation of anisole with paraformaldehyde.     

A rule-based fuzzy-logic approach for the measurement of manufacturing flexibility

Manufacturing flexibility is a difficult to quantify concept that defies universal definition. This paper presents a novel fuzzy-logic approach for measuring manufacturing flexibility that exploits linguistic variables for quantifying pertinent factors affecting commonly utilized flexibility types. Towards this end, we identify and measure the contribution of specified state variables towards the assumed flexibility types in order to compute an overall flexibility index for a generic manufacturing system. The suggested framework provides a convenient end user approach amenable to software implementation that is exemplified through the development of a prototypical software tool called “Flexibility Evaluator”.     

Melting treatment of waste asbestos using mixture of hydrogen and oxygen produced from water electrolysis

In this study, we melted four types of waste asbestos containing material such as spread asbestos, plasterboard asbestos, slate asbestos and asbestos 99 wt%, in a melting furnace at 1,450–1,550 that uses a mixture of hydrogen and oxygen (Brown’s gas) as a fuel. More volatile components (CaO, K₂O) are enriched in spread asbestos, plasterboard asbestos, and slate asbestos, while less volatile compounds (SiO₂, Fe₂O₃, MgO) remain in asbestos 99%. Through basicity of raw materials, spread asbestos, plasterboard asbestos, and slate asbestos were found to have more alkalinity, and asbestos 99% was found more acidic. SEM and EDX results revealed that all raw materials had various kinds of asbestos fiber. Spread asbestos, plasterboard asbestos, and slate asbestos were considered as tremolite asbestos, whereas asbestos 99% was considered as chrysotile asbestos. It was further confirmed by SEM and XRD studies that all waste materials contained some crystalline structures which transformed into amorphous glassy structure on melting. Also, in case of added glass cullet during the melting of spread asbestos, it transformed the raw material into a perfect vitrified product having more glassy surface and amorphous in nature     

Multi-Model Approach to Assess the Dynamics of Hydrologic Components in a Tropical Ecosystem

Estimation of terrestrial water budget at global and regional scales are essential for efficient agricultural water management, flood predictions, and, hydrological modeling. In hydrological modeling, it is a challenging task to quantify the major hydrological components like runoff, evapotranspiration (ET), and total water storage (TWS) due to improper and limited availability of detailed meteorological datasets. Furthermore, there has been no consensus to answer a-decade-long critical question that a less data-intensive models can be an alternate to robust data-intensive models in data scarce conditions. This study aims at multi-model approach over the single models usage for representing the hydrological behaviour in the Kangsabati River Basin (KRB), India. It is done by applying the standard model selection criteria over various hydrological models. Two hydrological models are selected, a semi- distributed model, Variable Infiltration Capacity (VIC-3 L), and a conceptually lumped model, Identification of unit Hydrograph and Component flows from Rainfall, Evapotranspiration and Streamflow (IHACRES). Both models were calibrated against the observed daily discharge at the KRB outlet for the period of 2001–2006 and validated for 2008–2010. The results show that both VIC-3 L and IHACRES produce reasonable runoff estimates at daily and monthly time scale in the KRB. The ET estimates show that VIC-3 L and IHACRES captured the seasonal variations with the percent change of 0.4% and 6.6% respectively. As IHACRES is simpler, parsimonious, fewer parameters, and better performances, it can be useful for hydrological modeling in data-scarce regions.

     

Hydrological Response to Agricultural Land Use Heterogeneity Using Variable Infiltration Capacity Model

Hydrological responses corresponding to the agricultural land use alterations are critical for planning crop management strategies, water resources management, and environmental evaluations. However, accurate estimation and evaluation of these hydrological responses are restricted by the limited availability of detailed crop classification in land use and land cover. An innovative approach using state-of-the-art Variable Infiltration Capacity (VIC) model is utilized by setting up the crop-specific vegetation parameterization and analyse the effect of uniform and heterogeneous agricultural land use over the hydrological responses of the basin, in the Kangsabati River Basin (KRB). Thirteen year simulations (1998–2010) based on two different scenarios i.e., single-crop in agricultural land use (SC-ALU) and multi-crop in agricultural land use (MC-ALU) patterns are incorporated in the model and calibrated (1998–2006) and validated (2007–2010) for the streamflow at Reservoir and Mohanpur in the KRB. The results demonstrated that the VIC model improved the estimates of hydrological components, especially surface runoff and evapotranspiration (ET) at daily and monthly timescales corresponding to MC-ALU than SC-ALU (NSC?>?0.7). Grid-scale ET estimates are improved after incorporating heterogeneous agricultural land use (NSC?>?0.55 and R²?>?0.55) throughout the period of 1998–2010. This study improves our understanding on how the change in agricultural land use in the model settings alters the basin hydrological characteristics, and to provide model-based approaches for best management practices in irrigation scheduling, crop water requirement, and management strategies in the absence of flux towers, eddy covariance, and lysimeters in the basin.

     

Defluoridation of groundwater using brick powder as an adsorbent

Defluoridation of groundwater using brick powder as an adsorbent was studied in batch process. Different parameters of adsorption, viz. effect of pH, effect of dose and contact time were selected and optimized for the study. Feasible optimum conditions were applied to two groundwater samples of high fluoride concentration to study the suitability of adsorbent in field conditions. Comparison of adsorption by brick powder was made with adsorption by commercially available activated charcoal. In the optimum condition of pH and dose of adsorbents, the percentage defluoridation from synthetic sample, increased from 29.8 to 54.4% for brick powder and from 47.6 to 80.4% for commercially available activated charcoal with increasing the contact time starting from 15 to 120 min. Fluoride removal was found to be 48.73 and 56.4% from groundwater samples having 3.14 and 1.21 mg l(-1) fluoride, respectively, under the optimized conditions. Presence of other ions in samples did not significantly affect the deflouridation efficiency of brick powder. The optimum pH range for brick powder was found to be 6.0-8.0 and adsorption equilibrium was found to be 60 min. These conditions make it very suitable for use in drinking water treatment. Deflouridation capacity of brick powder can be explained on the basis of the chemical interaction of fluoride with the metal oxides under suitable pH conditions. The adsorption process was found to follow first order rate mechanism as well as Freundlich isotherm.     

Photoelectrochemical analysis of band gap modulated TiO2 for photocatalytic water splitting

In this study the photocatalysis efficiency of titania (TiO₂) is increased by conjugating it with folic acid (FA) molecules through a silane linker (APTMS) layer. Electrochemical testing demonstrated higher negative open circuit potential (OCP) in surface engineered TiO₂ as compared to TiO₂ indicating higher Schottky barrier leading to suppressed electron–hole pair recombination. The photocurrent density under no bias conditions demonstrated 55% increase in modified titania due to lower band gap and suppressed electron hole pair recombination. The mechanism behind higher photocatalytic properties of surface engineered TiO₂ was derived using density functional theory (DFT).