Distribution of Active Site Types on Au Nanoparticles with Different Structures: Study of Thermal Dependence

For gold nanoparticles dependencies of low-coordinated atoms count and areas of different faces from nanoparticle size, shape and structure and temperature have been studied. The following recommendations for catalyst developers are proposed: for catalysis of reactions that occur on (111) face icosahedral nanoparticles smaller than 400 atoms must be preferred; reaction that occur on (100) and (110) faces and near low-coordinated atoms, should be better catalyzed by FCC nanoparticles; it should be taken into account, that temperature growth decreases amount of atoms on (111) and (110) faces, and, increases number of low-coordinated atoms and an area of (100) faces.