Department of Mechanical and Materials Engineering,
fields and interests:
Nanoscience and nanoengineering with emphasis on computational modeling, 2D nanomaterials processing and characterization, sensors, materials for renewable energy, inelastic response, nano- and molecular-electronics, nanoelectromechanical systems, electronic and thermal quantum transports. Some of the recent topics include:
· Ab initio characterization and design of materials
· Coherent and incoherent quantum electronic and thermal transports
· 2D nanomaterials processing and thermodynamics
· Nanoelectronic-based electrochemical and electromechanical sensors
· Nanostructured fluids: Phase transition and electrorheology
· Nanostructured composites: Mechanical properties
· Renewable energy applications of nanostructured materials
- Nanomaterials for renewable energy applications
- Quantum electronic and thermal transports
- 2D nanomaterials exfoliation
- Nano- and
Nano Research 7, 945 (2014)
- Hydrogen-containing nanocages
Hydrogen-containing nanocages provide novel solutions to the hydrogen storage problem, which is essential in using hydrogen as a renewable and clean source of energy. Simulating the properties of such systems requires accurate electronic structure and molecular dynamics methods.
- Nanostructured fluids phase transition and electrorheology
Nanostructured fluids possess novel characteristics and immense potentials. Controlling phase transition in nanostructured fluids is a key to their application. Phase transition in nanotube suspensions, e.g., can be controlled by applying electric field. A wide range of applications can be considered, for example superior dampers, heat and charge transfer , as well as cancer therapy.
When the unique electronic and transport properties of nanoscale systems are combined with their affinity for various molecules, nanosensor functionality will be the natural result. Changes in electronic transport properties of nanotubes as a result of gas molecules adsorption, e.g., are shown to provide superior sensor potentials.
- Nanoelectromechanical systems
properties of nanometer scale systems exhibit unique features which can be exploited
for novel applications. Seamless and reversible bending of systems such as
nanotubes can be used together with their transport
properties in order to design
- Activated processes
Some of the most important processes which occur in nature or in labs are activated; i.e., they do not proceed without an activating force, as the reactants and products are separated by an energy barrier. Simulating such physical and chemical processes requires especial considerations, to effectively map their minute/hour time scales to the femtosecond/picosecond domain of accurate molecular dynamics studies.
Incorporating nanoparticles, nanotubes, nanoribbons, etc. within material matrices can significantly enhance their mechanical, transport and optical properties. Same kinds of significant changes occur in nanoscale systems when they are doped with individual atoms and ions or with atomic clusters.
Phys. Chem. C. 116, 22916 (2012)