A5019355179- Graphene research and applications
- Boron and Carbon Nanomaterials Research
- MXene and MAX Phase Materials
- Advancements in Battery Materials
- 2D Materials and Applications
- Advanced Chemical Physics Studies
- Chalcogenide Semiconductor Thin Films
- Supercapacitor Materials and Fabrication
- Quantum Dots Synthesis And Properties
- nanoparticles nucleation surface interactions
- Machine Learning in Materials Science
- Advanced Chemical Sensor Technologies
- Gas Sensing Nanomaterials and Sensors
- Advanced biosensing and bioanalysis techniques
- Optical properties and cooling technologies in crystalline materials
- ZnO doping and properties
- Fullerene Chemistry and Applications
- Semiconductor Quantum Structures and Devices
- Electrochemical sensors and biosensors
- Boron Compounds in Chemistry
- Advanced Battery Materials and Technologies
- Inorganic Chemistry and Materials
- Nanowire Synthesis and Applications
- Gold and Silver Nanoparticles Synthesis and Applications
Florida Institute of Technology
2022-2024
Jahangirnagar University
2017-2024
Baylor University
2020-2022
BN doped reduced graphene oxide (BN-rGO) as promising anode candidate for Li/Na ion batteries.
The geometric, electronic, and thermodynamic properties of ring-shaped beryllium oxide (BeO)n (n = 3–5) clusters along with changes in these characteristics after doping transition metals—scandium, titanium, vanadium—have been investigated based on density functional theory (B3LYP/LanL2DZ) calculations. It has observed that have become more stable effective due to metals, this stability is better for the bigger clusters. In addition, from IR spectroscopy analysis, it both pristine doped are...
Since high capacity small rechargeable ion storage batteries are greatly required due to the increasing development of mobile technologies, search for new types electrode materials with superior electrochemical properties being explored. From its synthesis, graphene and derivatives have been hypothesised as potential candidates anode material Li-ion (LIB) their excellent electronic properties. In this work, first-principles simulation has performed investigate structural, electronic,...
The geometric, electronic, thermodynamic, optical, and magnetic properties of Sn5 Sn6 clusters after doping with transition metals (TM) – Gold, Platinum, Iridium have been investigated. This investigation has performed by employing density functional theory B3LYP hybrid using LanL2DZ SDD basis sets. It was observed that Pristine / gain more stability effectiveness in middle side positions. TM doped are stable chemically energetically than whereas Sn4-Au-M cluster is other clusters. Imaginary...
Abstract Breast cancer is one of the most basilisk cancers for women due to its high mortality rate which can be prevented drastically with early-stage detection. In this work, adsorption mechanism two volatile organic compounds that are present in breath breast patients, 2-Methyloctane and 3, 3-Dimethylpentane, has been investigated on aluminum phosphide nanotubes (AlPNT) gallium (GaPNT) order understand their feasibility as sensor materials diagnosis at early stage. We have used quantum...
Schematic diagram of prospective targeted drug delivery approach for ifosfamide using nitride-based nanocage.
Finding suitable doping locations on a nanocluster for particular dopant is one of the major considerations that need to be completed before efficient can take place. The electric, thermodynamic and structural properties pure As <inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">15</inf> along with TM-doped variants in two distinct positions are investigated. investigation confirms side-position more than front-position doping. Also, transition...
Borophene, a new addition in 2D nanomaterial family, has recently gain huge interest because of its superior band engineering properties unlike counterpart, graphene. We have investigated various and also some important physical indices as represented by the B6 nanocluster, compare undoped Germanium-doped motif using DFT method with SDD basis set B3LYP level theory. For studying charge transfer between nanocluster dopant, we calculated Mulliken for two different doped-structures namely,...
Metal Borides have been studied for several decades and recently emerge as promising superhard ultra-incompressible materials with diverse applications. doped boron nanoclusters are also interesting its properties can be engineered various In this study we investigated the property of B <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</sub> cluster which is formed in borophene (B xmlns:xlink="http://www.w3.org/1999/xlink">36</sub> ) nanocluster...
This present research investigation reports various properties of doped and undoped boron cluster (B <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">6</sub> ) such as charge distribution, stability, adsorption energy, dipole moment, reactivity, vibrational frequency, optical property, orbital analysis etc. on the basis B motif, which is actually hexagonal vacancy borophene xmlns:xlink="http://www.w3.org/1999/xlink">36</sub> cluster. We have used...
There has been always a persistent search for creating cheaper and efficient energy storage devices. After its discovery Li+ ion device become the most preferred choice due to high density. However, an that can use Ca <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> + ions instead of ions, will be much owing higher abundance calcium. Realizing need developing novel devices, present study aims investigate hexagonal boron (B <inf...