Publications by authors named "P Sreelakshmi Raghunath"

Double-atom site catalysts (DASs) have emerged as a recent trend in the oxygen reduction reaction (ORR), thereby modifying the intermediate adsorption energies and increasing the activity. However, the lack of an efficient dual atom site to improve activity and durability has limited these catalysts from widespread application. Herein, the nitrogen-coordinated iron and tin-based DASs (Fe-Sn-N/C) catalyst are synthesized for ORR.

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A series of calix[4]arenes with upper-rim sulfanylpropyl and -methoxyphenylazo groups (compounds -) were synthesized and found to be effective chromogenic sensors for selectively detecting Hg, Hg, and Ag ions among 18 screened metal perchlorates. In comparison to previously reported diallyl- and dithioacetoxypropyl-substituted calix[4]arenes (, , , , and ) and the newly synthesized compound , the distal (5,17)-disulfanylpropyl-substituted di--methoxyphenylazocalix[4]arene demonstrated superior performance with a limit of detection of 0.028 μM for Hg ions in a chloroform/methanol (v/v = 399/1) cosolvent.

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Novel two-dimensional melamine lead iodide perovskite (2D-CHNPbI) is synthesized to investigate its crystallinity, optical band gap and broadband emission properties and to make comparisons with 2D-CHNPbCl/2D-CHNPbBr perovskites. Both experimental and density functional theory (DFT) interrogations on 2D-CHNPbX (X = Cl, Br and I) are conducted. The crystal structure, morphology and percentile of Pb and halide elements are confirmed using scanning electron microscope (SEM), and energy dispersive spectrum (EDS), powder/single crystal X-ray diffraction (PXRD/SXRD), DFT and X-ray crystallography simulations.

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Atomically dispersed iron sites on nitrogen-doped carbon (Fe-NC) are the most active Pt-group-metal-free catalysts for oxygen reduction reaction (ORR). However, due to oxidative corrosion and the Fenton reaction, Fe-NC catalysts are insufficiently active and stable. Herein, w e demonstrated that the axial Cl-modified Fe-NC (Cl-Fe-NC) electrocatalyst is active and stable for the ORR in acidic conditions with high H O tolerance.

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Article Synopsis
  • The electrochemical reduction of oxygen into hydrogen peroxide (H2O2) in acidic conditions is a greener, energy-efficient alternative to the traditional anthraquinone process but faces challenges like high overpotential and low production rates.
  • A new approach mimics a metalloenzyme-like structure using carbon-based single-atom electrocatalysts, specifically CoNOC, which shows over 98% selectivity for H2O2 production in an acidic medium.
  • The study employs X-ray absorption spectroscopy and density functional theory calculations to analyze the optimal structural characteristics of the CoNOC active site, achieving high selectivity and mass activity for H2O2 synthesis.
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