A5085440170- Electrocatalysts for Energy Conversion
- Nuclear physics research studies
- Advanced battery technologies research
- Magnetic Properties of Alloys
- Machine Learning in Materials Science
- ZnO doping and properties
- Fuel Cells and Related Materials
- Magnetic properties of thin films
- Nonlinear Dynamics and Pattern Formation
- Electrochemical Analysis and Applications
- Advancements in Battery Materials
- Quantum Chromodynamics and Particle Interactions
- Chaos control and synchronization
- Gas Sensing Nanomaterials and Sensors
- Molecular Junctions and Nanostructures
- Quantum Dots Synthesis And Properties
- Copper-based nanomaterials and applications
- Graphene research and applications
- Advanced Battery Materials and Technologies
- Hydrogen Storage and Materials
- Extraction and Separation Processes
- Advanced Photocatalysis Techniques
- Nuclear reactor physics and engineering
- Supercapacitor Materials and Fabrication
- Rare-earth and actinide compounds
University of Illinois Chicago
2023-2024
National Institute for Materials Science
2024
CEA Grenoble
2021-2022
Commissariat à l'Énergie Atomique et aux Énergies Alternatives
2021-2022
Institut Nanosciences et Cryogénie
2021
Université Grenoble Alpes
2021
Manonmaniam Sundaranar University
2018-2020
Central Electrochemical Research Institute
1987-2019
Academy of Scientific and Innovative Research
2016-2019
Ulsan National Institute of Science and Technology
2017-2019
Abstract The most efficient electrocatalyst for the hydrogen evolution reaction (HER) is a Pt‐based catalyst, but its high cost and nonperfect efficiency hinder wide‐ranging industrial/technological applications. Here, an of both ruthenium (Ru) single atoms (SAs) N‐doped‐graphitic(G N )‐shell‐covered nitrided‐Ru nanoparticles (NPs) (having Ru‐N x shell) embedded on melamine‐derived G matrix { 1 : [Ru(SA)+Ru(NP)@RuN @G ]/G }, which exhibits superior HER activity in acidic basic media,...
A high performance and durable electrocatalyst for the cathodic hydrogen evolution reaction (HER) in anion exchange membrane (AEM) water electrolyzers is crucial emerging economy. Herein, we synthesized Pt–C core-shell nanoparticles (core: Pt nanoparticles, shell: N-containing carbon) were uniformly coated on hierarchical MoS2/GNF using pyrolysis of h-MoS2/GNF with a Pt-aniline complex. The core-shell@h-MoS2/GNF (with 11.3 % loading) showed HER activity lower overpotential 30 mV at 10 mA...
Molybdenum trioxide (MoO3) is a well-known electrochromic material. In the present work, n-type α-MoO3 thin films with both direct and indirect band gaps were fabricated by varying laser repetition (ablation) rate in pulsed deposition (PLD) system at constant reactive O2 pressure. The properties of are compared correlated to microstructure molecular-level coordination. Mixed amorphous textured crystallites evolve microstructural level. At molecular level, using NMR EPR, we show that change...
A systematic study on the room temperature ferromagnetism (RTFM) in undoped and Mn-doped ZnO nanoparticles (NPs) prepared by coprecipitation method has been reported. The neutral singly ionized zinc vacancy defects exhibited results of photoluminescence (PL), micro-Raman spectroscopy, electron paramagnetic resonance (EPR) studies are found to be ferromagnetic origin bare ZnO, it confirmed that Mn2+ ions substitutionally enter at Zn2+ sites wurtzite ZnO. positron annihilation coincidence...
We report a highly efficient and cost-effective binder-free catalyst for the hydrogen evolution reaction (HER) using V<sub>2</sub>O<sub>5</sub> particles on nickel foam (NF) (V<sub>2</sub>O<sub>5</sub>/Ni(OH)<sub>2</sub>@NF).
In article number 1900931, Jitendra N. Tiwari, Miran Ha, Kwang S. Kim, and co-workers report a hydrothermal/pyrolysis process to synthesize ruthenium single atoms (SAs) N-doped-graphitic(GN)-shell-covered nitrided-Ru nanoparticles (NPs) planted on melamine-derived GN matrix {[Ru(SA)+Ru(NP)@RuNx@GN]/GN}, exhibiting superior hydrogen evolution reaction activity outstanding durability in both acidic basic media.
Li-CO$_2$ batteries show promise as energy storage solutions, offering high theoretical density and CO$_2$ fixation. Their performance relies on the formation decomposition of Li$_2$CO$_3$/C during discharge charge cycles, respectively. We used a multiscale modeling framework that integrates Density Functional Theory (DFT), Ab-Initio Molecular Dynamics (AIMD), classical (MD), Finite Element Analysis (FEA) to investigate atomic cell-level properties. The battery consists lithium metal anode,...
SARS-CoV-2 spreads through inhalation or contact with infected individuals, its receptor-binding domain (RBD) facilitating cell entry and causing severe effects. In order to identify a better ailment for this disease, the current study has been made using In-silico tools predict interaction of natural ligand C-1: N-(4-Hydroxyphenyl)-2-methoxy-2-phenyl-acetamide C-2: N-(4-Hydroxy-phenyl)-2-phenyl-N-phenylacetyl-acetamide Nerium indicum as it is concerned antiviral property. The target...
We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered Li$_3$TiCl$_6$ cathode at six different temperatures, ranging from 25$^\mathrm{o}$C 100$^\mathrm{o}$C. In this work, deep neural network method and data generated by $ab-initio$ (AIMD) were deployed build high-fidelity MLFF. Radial distribution functions, mean square displacements (MSD), diffusion coefficients, ionic...
In this Letter, we report on the role of Se incorporation in increased efficiency recently measured alloyed cadmium telluride (CdTe) absorbers. This is done by means density functional theory calculations following an extensive exploration all possible diffusion paths Se. We identify a unique two-step mechanism that accounts for bulk chalcogenide interstitials CdTe, explaining experiments. The interaction diffusing interstitial with Cd vacancy and Te antisite further analyzed order to...
We study here the ternary-fission mass distribution of $^{252}\mathrm{Cf}$ nucleus for a fixed third fragment $^{48}\mathrm{Ca}$ using level-density approach within framework statistical theory. For evaluation nuclear level densities, single-particle energies finite-range droplet model are used. Our results temperatures $T=1$ and 2 MeV reproduce qualitatively experimental expectation ternary fragmentation...
A fully non-PGM alkaline membrane fuel cell with “highest activity” was achieved using a hierarchically shape-tuned, small, surface-active, support-free, worm-shaped nano-structured silver oxygen reduction reaction electro-catalyst.
Excitation-dependent emission colour tuning in single host lattice phosphors by local symmetry changes due to reorganization of highly strained oxygen.