Adsorption of hydrogen on Au@Pd nanoparticles: DFT study

M. SANDOVAL; C. R. LUNA; E. A. GONZALEZ; A. O. PEREIRA; C.R. MIRANDA; P. V. JASEN; A. JUAN

Simposio; mESC-IS 2015, International Symposium on Materials for Energy Storage and Conversion; 2015

With the pass of time, the global warming and shrinking fossil fuel supplies have become a concern matter. Thereby,there is a more and more evident need for find an alternative environment-friendly energy carrier. Hydrogen is a good candidate for this purpose like vector energy. The search for storage materials that provides high H2 storage density and good H2 sorption properties is relevant to a better advantage. Bimetallic nanomaterials have attracted much attention due to their potential applications in numerous fields of science and technology.1-2 Many experimental and theoretical researchers have been found that bimetallic nanoparticles (NPs) have interesting properties due to their structure, like size,composition, chemical composition among others.