Substrate surface Green function

Stepanyuk et al. [471] have applied local approximation of the density-functional theory and the Korringa-Kohn-Rostoker (KKR) Green s function method to determine the energy of Co adatoms located at the ideal Au(lOO) surface. Total-energy calculations have shown that Co atoms and small Co clusters are preferably embedded inside the substrate. 

The most comprehensive description of the tunneling problem is based either on a self-consistent solution of the Lippman-Schwinger equation [3] or on the non-equilibrium Green s function approach [4-8]. Inelastic effects within e.g. a molecule-surface interface can be included by considering multiple electron paths from the vacuum into the surface substrate [9], The current between two leads with the chemical potentials /ja and hb is given by the energy integral ... 

Hydrophilicity is an important criterion for the use of synthetic polymers. Existing methods for surface modihcation of synthetic hbers are costly and complex. Therefore, the enzymatic surface modihcation of synthetic hbers is a new and green approach to synthesize polymers with improved surface properties. Use of enzymes for surface modihcation of polymers will not only minimize the use of hazardous chemicals but also minimize the environment pollution load. Besides these, the enzyme-modihed polymers can also immobilize those enzymes which can only bind to the selective functional groups present on the polymeric surface such as —COOH and —NH2. Similarly, substrates can immobilize on the solid matrix (or polymer), which will be easily accessible to the enzymes. Genetic engineering can be employed for the modihcation of active sites of enzymes for better polymer catalysis. 

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