A5101426755- Graphene research and applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Functional Equations Stability Results
- 2D Materials and Applications
- ZnO doping and properties
- Theoretical and Computational Physics
- Statistical Mechanics and Entropy
- Boron and Carbon Nanomaterials Research
- Gas Sensing Nanomaterials and Sensors
- Hydrogen Storage and Materials
- Luminescence Properties of Advanced Materials
- Topological Materials and Phenomena
- Catalytic Processes in Materials Science
- Magnetic and transport properties of perovskites and related materials
- Advanced Thermodynamics and Statistical Mechanics
- Copper-based nanomaterials and applications
- Crystallography and molecular interactions
- Mechanical Engineering and Vibrations Research
- Ion-surface interactions and analysis
- Ammonia Synthesis and Nitrogen Reduction
- Dynamics and Control of Mechanical Systems
- Graphene and Nanomaterials Applications
- Statistical Distribution Estimation and Applications
- Mathematical Inequalities and Applications
Ramakrishna Mission Vivekananda Educational and Research Institute
2023-2024
Raiganj University
2018-2020
National Institute of Science Education and Research
2018
University of Delhi
1972-2016
University of Calcutta
2013-2016
McMaster University
1972-1973
University of California, Riverside
1966
We study here the magnetic properties of two dimensional silicene using spin polarized density functional theory. The were studied by introducing monovacancy and di-vacancy, as well doping phosphorous aluminium into pristine silicene. It is observed that there no magnetism in system, while large significant moment present for di-vacancy system. Besides, numerical computation reveals magnitude more when system doped with than phosphorous. All these theoretical predictions this may shed light...
Abstract Density functional theory (DFT) and kinetic Monte-Carlo (kMC) simulation code has been combinedly used to study the adsorption evolution dynamics of hydrogen molecules over a hexagonal boron nitride (h-BN) monolayer. Maximum energy from van der Waals curve is predicted be around 60 70 meV using two different DFT functionals. Repulsive lateral interaction between plays key role in determining maximum number adsorptions inside one unit cell h-BN. Bader charge analysis, electron...
Room temperature ferromagnetic ordering has been observed in polycrystalline SnO<sub>2</sub>. Defect characterization by positron annihilation technique and <italic>ab initio</italic> calculation indicates that tin vacancies are mainly responsible for inducing magnetic moment oxygen irradiate
Adsorption, desorption, and diffusion dynamics of hydrogen gas molecules over a hexagonal ZnO monolayer have been studied thoroughly in the van der Waals Density Functional Theory (vdW-DFT) framework association with kinetic Monte Carlo (kMC) simulations. Hydrogen can attach to sheet via weak physisorption process limitation maximum attachment three per ring. Pressure temperature are main deciding parameters for overall storage capacity on substrate. kMC simulations performed capture...
Room temperature ferromagnetic ordering has been observed in a rutile TiO2 polycrystalline sample after 4 MeV Ar5+ ion irradiation. The sheet resistance of the irradiated decreases from 107 to 3 × 103 Ω cm−2. Ab initio calculation density-functional theory indicates that both oxygen vacancy (VO) and titanium (VTi) can lead ferromagnetism. However, drastic lowering change colour (from white black) indicate formation VO. Experimental results along with theoretical suggest presence VO plays...
Abstract The effect of the substitutional and vacancy type defects on H 2 adsorption energy over a monolayer hexagonal boron nitride (h-BN) substrate has been studied by using van der Waals density functional theory calculations. Carbon doping at site or formation can be an effective way to increase value pristine h-BN substrate. repulsive lateral interaction present in between two molecules plays vital role case multiple molecule Also, carbon cluster during have favorable overall storage capacity
Effective magnetic moment for Zn<sub>54</sub>O<sub>53</sub>X (X = B, C, N, F, Al, Si, P, Cl, Ga, Ge, As) system.
In organic-inorganic perovskite semiconductor methylammonium lead iodide the occurrence of magnetism has been confirmed from magnetization and $^{1}\mathrm{H}$ nuclear magnetic resonance (NMR) measurements. From room temperature down to 4 K, is a combination weak ferromagnetism paramagnetism. NMR spectra at low temperatures also reveal two components, one with small chemical shift characteristic in nonmetals, other much larger $\ensuremath{\sim}\ensuremath{-}100$ ppm that ascribed material....
We investigate a novel (d + 1)-dimensional discrete erosion model for d = 1, 2 and 3. The dynamics of the is controlled by physically motivated mechanism. coarse grained nature this process has been well compared with Kardar–Parisi–Zhang (KPZ) equation. kinetic roughening shows same scaling behavior as that KPZ equation in dimensions 2. Moreover, present (3 1)-dimension almost smooth interface obtained vanishingly small roughness exponent, indicating belongs to weak coupling regime...
Abstract The general solutions of a sum form functional equation have been obtained. importance its in relation to the entropies and some moments discrete random variable has discussed.
The general solutions of a sum form functional equation have been obtained.The importance its in relation to the entropies and some moments discrete random variable has discussed.