A5054211185- 2D Materials and Applications
- Graphene research and applications
- MXene and MAX Phase Materials
- Adsorption and biosorption for pollutant removal
- Topological Materials and Phenomena
- Quantum and electron transport phenomena
- Supercapacitor Materials and Fabrication
- Perovskite Materials and Applications
- Machine Learning in Materials Science
- Electrochemical Analysis and Applications
- Advancements in Battery Materials
- Electrochemical sensors and biosensors
- Spectroscopy and Quantum Chemical Studies
- Conducting polymers and applications
- Advanced Thermoelectric Materials and Devices
- Fluid Dynamics and Heat Transfer
- Nanomaterials for catalytic reactions
- Chalcogenide Semiconductor Thin Films
- Pickering emulsions and particle stabilization
- Molecular Junctions and Nanostructures
- Boron and Carbon Nanomaterials Research
- Environmental remediation with nanomaterials
- Advanced Photocatalysis Techniques
- Quantum Dots Synthesis And Properties
- nanoparticles nucleation surface interactions
Indian Institute of Science Bangalore
2022-2024
National Institute of Science Education and Research
2021-2022
Istituto Nanoscienze
2021
Tezpur University
2016-2020
Abstract Carbon doping can induce unique and interesting physical properties in hexagonal boron nitride (h‐BN). Typically, isolated carbon atoms are doped into h‐BN. Herein, however, the insertion of nanometer‐scale graphene quantum dots (GQDs) is demonstrated as whole units h‐BN sheets to form h‐CBN. The h‐CBN prepared by using GQDs seed nucleations for epitaxial growth along edges without assistance metal catalysts. resulting possess a uniform distrubution plane high porosity...
This study investigates the removal of As(V) from aqueous media using water stable UiO-66-NDC/GO prepared via solvothermal procedure. The synthesized material was analyzed by Raman spectroscopy, UV-visible, X-ray powder diffraction (XRD), Transmission electron microscopy (TEM), Fourier Transform Infrared spectroscopy (ATR-FTIR), scanning (SEM), and Brunauer-Emmett-Teller (BET) support its applicability as a super-adsorbent for adsorption ions solutions. effect various parameters, including...
Abstract In this research, a solvothermal approach is introduced to synthesize metal-organic frameworks (MOFs) nanocomposite (GO/UiO-66-NDC) for the removal of Cr(VI) from water. A comprehensive analysis was performed understand physical, chemical, and structural properties MOF nanocomposite. The adsorption behavior investigated by changing various parameters, such as pH, dosage, concentration, determine isotherms, thermodynamics, kinetics. results showed that had high tolerance pH thermal...
The magnetic proximity effect is an imperative tool to comprehend the valley contrasting quantum anomalous Hall (QAH) in van der Waals (vdW) heterostructure. introduction of exchange and spin orbit interaction together enables realize topological phases, with a particular emphasis on interface can be envisioned towards dissipationless electronics. Herein, coupled QAH predicted vdW heterostructure consisting graphene ferromagnetic (FM) semiconductor ${\mathrm{CrBr}}_{3}$ implication...
Abstract Interfaces in perovskite solar cells (PSCs) play a pivotal role determining device performance by influencing charge transport and recombination. Understanding the physical processes at these interfaces is essential for achieving high‐power conversion efficiency PSCs. Particularly, involving oxide‐based layers are susceptible to defects like dangling bonds, excess oxygen, or oxygen deficiency. To address this issue, surface of NiO x passivated using octadecylphosphonic acid (ODPA),...
Organometallic halide perovskites have garnered considerable attention in recent times due to their promising optoelectronic attributes, particularly within the realm of solar photovoltaics (PV). How perovskite films form is utmost significance shaping structural and functional characteristics. In this context, application methylamine vapour during precursor deposition subsequent treatment film formation stages emerges as crucial for development high-quality cell applications. The...
Abstract Single-atom catalysts (SACs) have garnered significant interest due to their ability reduce metal particles the atomic scale, enabling finely tunable local environments and enhanced catalytic properties in terms of reactivity selectivity. Despite this potential, application has largely been confined small-molecule transformations as metal-catalyzed reaction. In study, we present a diverse single-atom nickel (Ni) catalyst established via nanoporous carbon (NPC) supported practice....
ABSTRACT Organometallic halide perovskites have received significant attention due to their promising optoelectronic properties, particularly in photovoltaics. The formation process of perovskite films is crucial determining structural and functional characteristics. In this study, the effects methylamine vapour treatment vacuum annealing on enhancing crystallinity, morphology integrity are examined. Methylammonium lead iodide (MAPI)–based investigated, with a focus crystallographic...
We report on first-principle calculations magnetic proximity effect in a van der Waals heterostructure formed by graphene monolayer induced its interaction with two-dimensional (2D) ferromagnet (chromium tribromide, CrBr3). observe that the arising from spin-dependent interlayer coupling depends sensitively electronic configuration. The results spin polarization of orbital up to 63.6 %, together miniband splitting band gap about 73.4 meV and 8% enhancement moment (3.47${\mu}$B/cell)...
Portable miniaturized energy storage micro-supercapacitors have attracted significant attention due to their power source and capacity, replacing batteries in ultra-small electronic devices. Fabrication with porous 2D graphitic nanomaterials high conductivity surface area leads high-performance micro-supercapacitors. In order satisfy the fast-growing demands for next generation, we report performance design of a heterostructured EDLC (g-C3N4) pseudocapacitor (FeNi3) resulting short ionic...
Abstract Engineering 2D heterostructure using proximitized interfaces is an effective approach to attain high efficiency photocatalytic performance toward dye degradation. Strong interfacial interaction and abundant coupled 2D/2D face‐to‐face contact facilitate efficient charge separation contributing activity. In this aspect, for the first time authors have analyzed band alignment of heterojunction, Perdew–Burke–Ernzerhof semilocal meta‐generalized‐gradient approximation case...
A novel series of benzimidazole-based molecules mimicking biological receptors, which exhibit selective coordination with zinc ions, were designed and synthesized. The photochromic behavior these derivatives various metal ions suggests a interaction one the receptors 2-(pyridin-2-yl)-4,7-di(thiophen-2-yl)-3H-benzo[d]imidazole (2c) ion. lower limit detection by photoluminescence quenching was determined to be 16 nM. mechanism complexation elucidated 1H nuclear magnetic resonance titrations...
Electric field induced field-effect mobility and nontrivial <italic>Z</italic><sub>2</sub> topological phase transition in graphene sandwiched by h-BN bilayers.
Abstract Improved efficiency of N‐doped graphene in van der Waals heterostructure (vdW) for hydrogen evolution reaction (HER) can complement future economy. The local electronic environment layered graphene/MoS 2 interface is significantly influenced by doping with foreign atoms. Moreover, electrochemical robust at basal planes vdW and the underneath atomic‐scale mechanism yet to be realised. We have investigated substitutional N‐doping its catalytic towards HER process on basis density...
We propose a one-electron self-interaction-free correlation energy functional compatible with the order-of-limit problem-free Tao–Mo (TM) semilocal (regTM) [J. Tao and Y. Mo, Phys. Rev. Lett. 117, 073001 (2016) Patra et al., J. Chem. 153, 184112 (2020)] to be used for general purpose condensed matter physics quantum chemistry. The assessment of proposed large classes chemical systems shows its improvement in most cases compared TM functional, e.g., when applied relative difference MnO2...
Abstract The Pauli kinetic energy enhancement factor α = ( τ − W )/ unif is an important density ingredient, used to construct many meta-generalized gradient approximations (meta-GGA) exchange–correlation (XC) functionals, including the very successful strongly constrained and appropriately normed (SCAN) semilocal functional. Another meta-GGA functional, known as MGGAC (2019 Phys. Rev. B 100 155140), also proposed in recent time depending only on ingredient based generalization of...
The graph shows vdW gap values for TaS 2 's 1T and 2H phases using different XC functionals, compared with experimental data. It evaluates the performance of these functionals TMDs, including AB2 (A = Nb, Ta; B S, Se, Te).