a catalytic surface is a surface of a catalyst
a catalyst is a substance that facilitates a chemical reaction, making it happen faster, at a lower temperature and/or more selectively
density functional theory is a type of calculation of quantum mechanics where you calculate chemical properties from the interacting wavefunctions of each of the electrons of each of the atoms involved
a wavefunction can be thought of as the mathematical expression of the probability of an electron being at any location; integrated over all space/infinitiy it would be one because the electron has to be somewhere