A5065669114- Graphene research and applications
- Boron and Carbon Nanomaterials Research
- Advanced Photocatalysis Techniques
- Gas Sensing Nanomaterials and Sensors
- Metal-Organic Frameworks: Synthesis and Applications
- Advanced oxidation water treatment
- 2D Materials and Applications
- Electric Motor Design and Analysis
- Adsorption and biosorption for pollutant removal
- Fuel Cells and Related Materials
- Graphene and Nanomaterials Applications
- Fullerene Chemistry and Applications
- Aluminum Alloys Composites Properties
- Livestock Management and Performance Improvement
- Radioactive element chemistry and processing
- Microfluidic and Capillary Electrophoresis Applications
- Materials Engineering and Processing
- Enzyme Production and Characterization
- Protein purification and stability
- Nanopore and Nanochannel Transport Studies
- Animal Diversity and Health Studies
- Aquaculture disease management and microbiota
- Concrete Corrosion and Durability
- MXene and MAX Phase Materials
- Nanomaterials for catalytic reactions
University of Science and Technology
2022-2025
Indian Institute of Technology Kharagpur
2018-2024
Jadavpur University
2010-2024
Sardar Vallabhbhai Patel University of Agriculture & Technology
2024
Comilla Medical College
2024
Mugda Medical College
2024
Jahangirnagar University
2020-2021
Khulna University
2013
Monash University
2001-2002
Kanazawa University
2000-2002
Abstract Tetragonal graphene nano-capsule (TGC), a novel stable carbon allotrope of sp 2 hybridization is designed and doped with phosphorus (P) to study the O 3 SO gas sensitivity via density functional theory calculation. Real frequencies verified natural existence both TGC P-doped (PTGC). Both PTGC suffer structural deformations due interaction gases. The amount charge transfer from adsorbent molecule significantly greater for adsorption than adsorption. energies + complexes are − 3.46...
This study focuses on the geometrical, electronic, and optical properties of γ-graphyne-like novel γ-SiC nanoflake γ-silicon carbide (SiC) monolayer using density functional theory calculations. was revealed to be a stable semiconducting confirmed by negative cohesive energy, real vibrational frequencies, 1.749 eV energy gap. The adsorption COCl
The sensitivity of a RbSnCl 3 perovskite 2D layer toward NH , SO 2 and NO toxic gases has been studied via DFT analysis.
Graphene has accomplished huge notoriety and interest from the universe of science considering its exceptional mechanical physical thermal properties. is an allotrope carbon having one atom thick size planar sheets thickly stuffed in a lattice structure resembling honeycomb structure. Numerous methods to prepare graphene have been created throughout limited span time. Due fascinating properties, it found some extensive applications wide variety fields. So, we believe there necessity produce...
Abstract The adsorption properties of different Carbon allotropes (i.e., graphene, γ -graphyne, Mobius and R-graphyne) their corresponding Boron (N) Nitrogen incorporated BCN nanostructures toward carbon monoxide (CO) gas are studied via density functional theory calculation. All the adsorbents demonstrated negative formation energies real frequencies, i.e., can be synthesized have dynamical stability. increased due to B N incorporation, although still comparatively low for practical...
The direct Z-scheme NH 2 -MIL-125(Ti)@MIL-53(Fe/Co) exhibits excellent photocatalytic carbamazepine degradation and peroxymonosulfate activation capability under visible light irradiation, with extraordinary activity in contaminated surface water.
We conducted theoretical calculations to examine the energetic stability of pristine aluminum nitride (AlN) and N-defected AlN nanosheets, along with their structural, electronic, optical properties, utilizing density functional theory. Furthermore, we explored adsorption properties BF3 ClF3 toxic gases on both nanosheets. Our findings reveal that N-defect nanosheet enhances gas energies (−1.354 −13.263 eV) compared nanosheet. Additionally, absolute value bandgap for increases 3.032 eV,...
In this research, we studied pristine (PGs) and Al, Ti, Cr-doped graphene (DGs) via density functional theory calculations for adsorption of OF2 O3 gas. Changes in the structural, electronic, optical properties due to Cr-doping as well gas have been studied. After doping with Cr atoms, cohesive energies were −8.787, −8.754, −8.768 eV, respectively, where negative values indicate structural stability doped sheets. The adsorbed on complexes PGs, Ti-DGs, Cr-DGs, Al-DGs showed strong...
Heavy metal (HM) toxicity has become one of the major issues nowadays. In this research, we have studied adsorption approach for HM ion (HMI) detection and removal applications from wastewater. A novel quantum dot (QD) tricarbon diboride (C3B2) is designed geometrically relaxed using density functional theory (DFT) calculations. The QD possesses a cohesive energy -4.41 eV with 2.44 gap. No imaginary vibrational frequencies are observed, making C3B2 (CBQD) thermodynamically stable geometry....
MIL-100(Fe)/Bi 2 S 3 has excellent activity towards RhB degradation.