Andrews Nirmala Grace

Bio: Andrews Nirmala Grace is an academic researcher from VIT University. The author has contributed to research in topics: Graphene & Cyclic voltammetry. The author has an hindex of 31, co-authored 97 publications receiving 3183 citations.

A novel CuO–N-doped graphene nanocomposite-based hybrid electrode for the electrochemical detection of glucose

Abstract: We report a catalyst of N-doped graphene CuO nanocomposite, for the non-enzymatic electrocatalytic oxidation of glucose. The hybrid nanocomposite was synthesized by copper sulfate, cetyl ammonium bromide and graphite as starting materials. The synthesized composites were characterized with the techniques like X-ray diffraction, field emission scanning electron microscopy, transmission electron microscope to study the crystalline phase and morphological structure. Based on this composite, a non-enzymatic glucose sensor was constructed. Cyclic voltammetry and chronoamperometry methods were done to investigate the electrocatalytic properties of glucose in alkaline medium. For glucose detection, the fabricated sensor showed a linear response over a wide range of concentration from 3 to 1000 µM, with sensitivity of 2365.7 µA mM−1 cm−2 and a fast response time of 5 s. The designed sensor exhibited negligible current response to the normal concentration of common interferents in the presence of glucose. All these favorable advantages of the fabricated glucose sensor suggest that it may have good potential application in biological samples, food and other related areas.

Phosphorene, antimonene, silicene and siloxene based novel 2D electrode materials for supercapacitors-A brief review

Abstract: In the past decade, 2D materials such as graphitic carbon nitride, transition metal dichalcogenides, layered metal oxides and hydroxides, hexagonal boron nitride and MXenes have garnered a great attention with the discovery of graphene. Very recently, novel 2D materials analogous to graphene such as phosphorene, antimonene, silicene, siloxene, germanene etc., were discovered and are emerging as strong competitors to the existing 2D materials. These materials pose explicit properties making them suitable for various applications. This article reviews the properties, synthesis techniques and the supercapacitive nature of phosphorene, antimonene, silicene and siloxene while briefing the properties of other 2D materials viz. germanene, stanene, arsenene and bismuthene. With the successful implementation of phosphorene as supercapacitor electrode, research is progressing in exploring the supercapacitive nature of other novel 2D materials. The investigations on these materials are still in its infancy and most of the properties lack experimental evidence. The current research trends on these novel materials are discussed in this review.

Anomalous magnetic behavior in nanocomposite materials of reduced graphene oxide-Ni/NiFe2O4

Abstract: Magnetic Reduced Graphene Oxide-Nickel/NiFe2O4 (RGO-Ni/NF) nanocomposite has been synthesized by one pot solvothermal method. Respective phase formations and their purities in the composite are confirmed by High Resolution Transmission Electron Microscope and X Ray Diffraction, respectively. For the RGO-Ni/NF composite material finite-size effects lead to the anomalous magnetic behavior, which is corroborated in temperature and field dependent magnetization curves. Here, we are reporting the behavior of higher magnetization values for Zero Field Cooled condition to that of Field Cooled for the RGO-Ni/NF nanocomposite. Also, the observed negative and positive moments in Hysteresis loops at relatively smaller applied fields (100 Oe and 200 Oe) are explained on the basis of surface spin disorder.

Hydrothermal Synthesis and Electrochemical Properties of CoS2–Reduced Graphene Oxide Nanocomposite for Supercapacitor Application

Abstract: A Cobalt disulfide–reduced graphene oxide (CoS2-RGO) nanocomposite was prepared by a simple hydrothermal method and the prepared nanocomposite was characterized using various techniques like XRD, SEM and FTIR. The results of these techniques indicated the uniform deposition of CoS2 nanoparticles on Graphene sheets. Further, the prepared nanocomposites were tested for its activity towards energy storage and the test results showed a specific capacitance of 28F/g in an aqueous 20% KOH electrolyte at a current density of 0.5A/g. All these materials showed highly reversible charge–discharge cycles. The overall electrochemical performance of this composite is shown to be drastically improved when compared to bare CoS2 nanoparticles. Thus with the good electrochemical properties, CoS2–RGO nanocomposites could be effectively used as an electrode material for supercapacitors.

I and i

Abstract: There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality. Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

Fast parallel algorithms for short-range molecular dynamics

Abstract: Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Mn3O4-Graphene Hybrid as a High Capacity Anode Material for Lithium Ion Batteries

Abstract: We developed two-step solution-phase reactions to form hybrid materials of Mn3O4 nanoparticles on reduced graphene oxide (RGO) sheets for lithium ion battery applications. Mn3O4 nanoparticles grown selectively on RGO sheets over free particle growth in solution allowed for the electrically insulating Mn3O4 nanoparticles wired up to a current collector through the underlying conducting graphene network. The Mn3O4 nanoparticles formed on RGO show a high specific capacity up to ~900mAh/g near its theoretical capacity with good rate capability and cycling stability, owing to the intimate interactions between the graphene substrates and the Mn3O4 nanoparticles grown atop. The Mn3O4/RGO hybrid could be a promising candidate material for high-capacity, low-cost, and environmentally friendly anode for lithium ion batteries. Our growth-on-graphene approach should offer a new technique for design and synthesis of battery electrodes based on highly insulating materials.

Recent Advances in Inorganic Heterogeneous Electrocatalysts for Reduction of Carbon Dioxide

Abstract: In view of the climate changes caused by the continuously rising levels of atmospheric CO2 , advanced technologies associated with CO2 conversion are highly desirable. In recent decades, electrochemical reduction of CO2 has been extensively studied since it can reduce CO2 to value-added chemicals and fuels. Considering the sluggish reaction kinetics of the CO2 molecule, efficient and robust electrocatalysts are required to promote this conversion reaction. Here, recent progress and opportunities in inorganic heterogeneous electrocatalysts for CO2 reduction are discussed, from the viewpoint of both experimental and computational aspects. Based on elemental composition, the inorganic catalysts presented here are classified into four groups: metals, transition-metal oxides, transition-metal chalcogenides, and carbon-based materials. However, despite encouraging accomplishments made in this area, substantial advances in CO2 electrolysis are still needed to meet the criteria for practical applications. Therefore, in the last part, several promising strategies, including surface engineering, chemical modification, nanostructured catalysts, and composite materials, are proposed to facilitate the future development of CO2 electroreduction.