Neena S. John

Bio: Neena S. John is an academic researcher from Jawaharlal Nehru Centre for Advanced Scientific Research. The author has contributed to research in topics: Graphene & Nanoparticle. The author has an hindex of 16, co-authored 73 publications receiving 956 citations. Previous affiliations of Neena S. John include University of Manchester & DST Systems.

Morphology-dependent zeolite intergrowth structures leading to distinct internal and outer-surface molecular diffusion barriers.

Abstract: Zeolites play a crucial part in acid–base heterogeneous catalysis. Fundamental insight into their internal architecture is of great importance for understanding their structure–function relationships. Here, we report on a new approach correlating confocal fluorescence microscopy with focused ion beam–electron backscatter diffraction, transmission electron microscopy lamelling and diffraction, atomic force microscopy and X-ray photoelectron spectroscopy to study a wide range of coffin-shaped MFI-type zeolite crystals differing in their morphology and chemical composition. This powerful combination demonstrates a unified view on the morphology-dependent MFI-type intergrowth structures and provides evidence for the presence and nature of internal and outer-surface barriers for molecular diffusion. It has been found that internal-surface barriers originate not only from a 90∘ mismatch in structure and pore alignment but also from small angle differences of 0.5∘–2∘ for particular crystal morphologies. Furthermore, outer-surface barriers seem to be composed of a silicalite outer crust with a thickness varying from 10 to 200 nm. Characterizing the internal architecture of zeolites is crucial for understanding their structure–function relationships, and for acid–base heterogeneous catalysis. Using a unique combination of diffraction and microscopy techniques provides a unified picture of the morphology of intergrowth structures and confirmation of surface barriers for molecular diffusion.

Competing Effect of Co3+ Reducibility and Oxygen-Deficient Defects Toward High Oxygen Evolution Activity in Co3O4 Systems in Alkaline Medium

Abstract: In Co3O4 systems, the oxygen vacancy is reported to improve the oxygen evolution reaction (OER) activity because of higher Co2+/Co3+ surface ratio. In situ studies have revealed Co3+—site reducibil...

Low cost, catalyst free, high performance supercapacitors based on porous nano carbon derived from agriculture waste

Abstract: The present work exhibits experimental results obtained from the analysis of porous nano carbon synthesized from agriculture waste for the evaluation of high-performance supercapacitors. The material has been prepared by pyrolysis at different temperatures. All the synthesized materials were characterized using EDS, FE-SEM, TEM, FTIR, XPS, and Raman spectroscopy. Porous nature was determined from N2 sorption experiments. The electrochemical studies were done in three and two electrode setups. The maximum specific capacitance obtained was 174 F/g at 0.1 A/g in 4.0 M KOH electrolyte. The symmetric supercapacitor exhibited a specific capacitance of 119.2 F/g at 0.1 A/g and a specific energy of 32.6 Wh/kg. The device exhibited impeccable stability for 25,000 charge-discharge cycles, with 97.8% coulombic efficiency. Capacitance retention of 93% was observed even at the end of 10000th cycles, suggesting the huge capacity of biomass-derived non-activated carbon nanomaterials for efficient, stable high-performance electrodes in electrochemical energy storage applications.

Hybrid films of reduced graphene oxide with noble metal nanoparticles generated at a liquid/liquid interface for applications in catalysis

Abstract: Free-standing ultra-thin hybrid films of reduced graphene oxide (rGO) with Au, Ag and Pd nanoparticles are generated at an aqueous/organic interface by in situ chemical reduction and spontaneous assembly. The reduction is initiated at a ‘bare’ interface or a ‘modified’ interface in a single step or two-step synthetic strategy. The hybrid materials are characterized by UV-visible, infra-red and Raman spectroscopies, X-ray diffraction, scanning electron (SEM), transmission electron (TEM) and atomic force microscopies (AFM). UV-visible spectra confirm the presence of isolated metal nanoparticles grafted on to rGO layers and Raman spectra signal a charge transfer across the constituent metal nanoparticles and rGO in the hybrid material. SEM and AFM studies show that the morphology of the hybrid films constitutes a homogeneous dispersion of metal nanoparticles and rGO for reduction at the ‘bare’ interface, and a random grafting of metal nanoparticles on rGO for reduction at the ‘modified’ interface. A mechanism for the formation of the films is proposed that involves a simultaneous transport and reduction of GO sheets and metal precursor at the interface or a directed reduction of metal precursor on rGO surface, facilitated by external aids. The utility of these hybrid films as catalysts is exemplified in p-nitrophenol reduction. Our method provides a fast, simple and inexpensive route to obtain free-standing hybrid films of rGO with metal nanoparticles for various applications.

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

Abstract: : The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Magnetically Separable Nanocatalysts: Bridges between Homogeneous and Heterogeneous Catalysis

Abstract: Recovery and reuse of expensive catalysts after catalytic reactions are important factors for sustainable process management. The aim of this Review is to highlight the progress in the formation and catalytic applications of magnetic nanoparticles and magnetic nanocomposites. Directed functionalization of the surfaces of nanosized magnetic materials is an elegant way to bridge the gap between heterogeneous and homogeneous catalysis. The introduction of magnetic nanoparticles in a variety of solid matrices allows the combination of well-known procedures for catalyst heterogenization with techniques for magnetic separation.

Applications of dip-pen nanolithography.

Abstract: The ability to tailor the chemical composition and structure of a surface at the sub-100-nm length scale is important for studying topics ranging from molecular electronics to materials assembly, and for investigating biological recognition at the single biomolecule level. Dip-pen nanolithography (DPN) is a scanning probe microscopy-based nanofabrication technique that uniquely combines direct-write soft-matter compatibility with the high resolution and registry of atomic force microscopy (AFM), which makes it a powerful tool for depositing soft and hard materials, in the form of stable and functional architectures, on a variety of surfaces. The technology is accessible to any researcher who can operate an AFM instrument and is now used by more than 200 laboratories throughout the world. This article introduces DPN and reviews the rapid growth of the field of DPN-enabled research and applications over the past several years.

Controlling Zeolitic Imidazolate Framework Nano- and Microcrystal Formation: Insight into Crystal Growth by Time-Resolved In Situ Static Light Scattering

Abstract: We report on a simple and straightforward method that enables the rapid room-temperature production of nanocrystals (finely tuned in size between ∼10 and 65 nm) and microcrystals (∼1 μm) of the prototypical microporous zeolitic imidazolate framework (ZIF) material ZIF-8. Control of crystal size is achieved in a novel approach by employing an excess of the bridging bidentate ligand and various simple auxiliary monodentate ligands with different chemical functionalities (carboxylate, N-heterocycle, alkylamine). The function of the monodentate ligands can be understood as a modulation of complex formation and deprotonation equilibria during crystal nucleation and growth. Using time-resolved static light scattering, the functioning of modulating ligands is monitored for the first time by in situ experiments, which offered significant insight into the crystal growth processes. Formation of nanocrystals is characterized by continuous, comparatively slow nucleation and fast crystal growth occurring on a time sca...