NEW IDEAS - MAIN CONTRIBUTIONS

My major contributions include the following new theoretical methods as proposed (in chronological order) :

• The Periodic Planar Jellium Approximation to the free, chemisorbed or defected metal surface
• The Coupled Hartree-Fock (CHF) approximation to the embedding of atoms in metal surfaces and bulk (at various levels of approximation)
• The implementation of the Quadratic KKR approach to the embedding of single impurities in metals
• An Embedding theory based on the CHF theory and that of the Green's function matching approach
• New computationally efficient methods for calculating transport properties of Single Wall Carbon Nanotubes and molecular electronics
• The theory of defect-originated sp-magnetism in the newly observed magnetism in Carbon-based materials
• The synergetic codoping as a new contributor to the magnetic coupling in Diluted Magnetic Semiconductors (DMSs), Transition Metal Oxides (TMOs), Carbon-based and related materials
• The proposition of the Successive Spin Polarization process as the means of the development of the magnetic coupling in DMSs and TMOs.
• The theoretical discovery and the experimental verification of new catalysts (namely Sb:GaN and Sb:GaP, LaA2Fe3O8 (A = Ca, Sr)) for photoelectrochemical hydrogen production.
• The theoretical discovery of th new two-dimensional material Si2BN , competitor to graphene.