A5107961910- 2D Materials and Applications
- MXene and MAX Phase Materials
- Graphene research and applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Gas Sensing Nanomaterials and Sensors
- Boron and Carbon Nanomaterials Research
- Advanced Thermoelectric Materials and Devices
- biodegradable polymer synthesis and properties
- Advanced Photocatalysis Techniques
- Advancements in Battery Materials
- Perovskite Materials and Applications
- Advanced Chemical Physics Studies
- Quantum and electron transport phenomena
- Quantum Dots Synthesis And Properties
- Organic Electronics and Photovoltaics
- Conducting polymers and applications
- DNA and Nucleic Acid Chemistry
- Heusler alloys: electronic and magnetic properties
- Free Radicals and Antioxidants
- Inorganic and Organometallic Chemistry
- Mesoporous Materials and Catalysis
- Reliability and Maintenance Optimization
- GaN-based semiconductor devices and materials
- Silicone and Siloxane Chemistry
Tel Aviv University
2021-2024
National Institute of Technology Kurukshetra
2021-2024
Indian Institute of Technology Delhi
2023
University of Ulsan
2020-2022
Sardar Vallabhbhai National Institute of Technology Surat
2014-2021
Manipal University Jaipur
2020
National Institute of Technology
2020
University of Washington
2020
Dr. Rajendra Prasad Central Agriculture University
2020
Maharshi Dayanand University
2017-2019
Temperature dependent diffuse reflectance spectroscopy measurements were carried out on polycrystalline samples of BaTiO3 across the tetragonal to cubic structural phase transition temperature (TP). The values various optical parameters such as band gap (Eg), Urbach energy (Eu), and focus (E0) estimated in range 300 K 480 K. It was observed that with increasing temperature, Eg decreases shows a sharp anomaly at TP. First principle studies employed order understand change due transition. Near...
Abstract Rechargeable batteries can effectively mitigate the increasing crisis associated with clean energy storage technologies. The alkali metal-ion based rechargeable require a low diffusion barrier, average open-circuit voltage (OCV), and high capacity for their superior performance. Using comprehensive first-principle calculations, we demonstrate that calcium carbide monolayer (Ca 2 C-ML) MXene meets all aforementioned criteria is anode material lithium (Li), sodium (Na), potassium (K)...
We proposed a boron–phosphorus monolayer (BP-ML) and investigated its gas sensing properties by density functional theory including the van der Waals dispersion correction term. Electronic property analysis reveals that BP-ML is semiconductor with an indirect bandgap of 0.54 eV. The adsorption energy calculations nitrogen-containing gases (NCGs) such as N2O, NO2, NH3, NO show these are physisorbed on surface. Among studied NCGs, NO2 molecule exhibits relatively higher charge (0.43 e), which...
Most of the known two-dimensional materials lack a suitable wide-bandgap, and hydrogenation can be effectively utilized to tune bandgap some 2D materials.
First-principles calculations are performed to investigate the approachable application of a two-dimensional SiBi nanosheet as an oxygen-containing gas (OCG) sensor material. Through detailed analysis modifications in electronic parameters, adsorption energies, work function, and charge transfer between surface molecules, physisorption nature CO2, SO2, NO2 on nanosheets is observed via van der Waals force, while chemisorption noticed for O2. The maximum (0.59 e) found gas, which strongly...
Possible photocatalytic mechanisms over BaZrO 3 nanoparticles under visible-light illumination.
A practical approach to recycle glycine as habit modifier produce rhombic dodecahedron shaped NaCl crystals from saturated solution is reported. It also shown that the method applicable solar salt production natural brines. The modified have better flow characteristics than those of their cubic counterparts.
Abstract First‐principles approach based on density functional theory is employed in order to investigate the structural, electronic, and mechanical properties of two‐dimensional Janus group‐III ternary chalcogenide monolayer (G3TCM) semiconductor series, B 2 XY, Al BAlX (X, Y = S, Se, Te; X ≠ Y). The effective masses, band gaps, carrier mobilities entire series G3TCM compounds are evaluated comprehensively examine their feasibility as an ingredient nanoscale electronic device. All proposed...
First principle calculations utilizing density functional theory were carried out to investigate the electronic, transport and optical properties of penta-MP
MoS2based materials are recognized as the promising candidate for multifunctional applications due to its unique physicochemical properties. But presence of lower number active sites, poor electrical conductivity, and less stability 2H 1T MoS2inherits practical applications. Herein, we synthesized Se inserted mixed-phase 2H/1T MoS2nanosheets with abundant defects sites achieve improved overall electrochemical activity. Moreover, chalcogen insertion induces recombination photogenerated...