Research Interests

 

• My research interests are focused generally in the fields of computational condensed matter physics and materials science. In particular, we employ Density Functional Theory, Monte Carlo and Molecular Dynamics Simulations, and other related methods to study the fundamental properties of various types of materials, to design new materials, and to simulate the physical processes related to materials synthesis.
  
  For instance, using state-of-the-art computational approaches, we designed a new material that we named it as “graphone”. It is derived from an existing material known as graphene by saturating half of its carbon atoms with hydrogen. This one-atom-thick planar sheet of sp2 & sp3 alternately bonded carbon atoms in a honeycomb crystal lattice can be ferromagnetic, while neither graphene nor “graphane” (graphene sheet fully saturated with hydrogen) are. This new form of functionalized graphene provides a simple pathway to tailor magnetism. The implication is that there are many possibilities for engineering new functional materials simply by changing their composition and structure. This finding was published in Nano Letters 9, 3867 (2009), is guiding researchers to discover this ferromagnetic material in laboratory and to explore its potential technological applications. This work has been cited over 100 times so far.
  
  
• My current research interest includes study of the electronic, optical, and magnetic properties of graphene-based nanostructures and their assembled 2D periodic structures to design advanced materials.
  
  
• I am also interested in dilute magnetic semiconductors, 2p-electron magnetic systems for spintronics applications.
  
  
• Our research work requires a good grasp of the theories including classical and quantum mechanics, atomic physics, solid state physics, thermodynamics and statistical mechanics, electronic structure and interatomic forces, etc. as we apply fundamental physics to understand and predict the structure and properties of materials of technological significance. We have developed new concepts and undertaken pioneering simulations for materials at the atomic and nanostructural levels, which have made a lasting impact.