Graphdiyne as a promising substrate for stabilizing Pt nanoparticle catalyst

Graphdiyne as a promising material for detecting amino acids

The adsorption of glycine, glutamic acid, histidine and phenylalanine on single-layer graphdiyne/graphene is investigated by ab initio calculations. The results show that for each amino acid molecule, the adsorption energy on graphdiyne is larger than the adsorption energy on graphene and dispersion interactions predominate in the adsorption. Molecular dynamics simulations reveal that at room t...

Camphor as a promising insecticude for control

Graphdiyne as a metal-free catalyst for low-temperature CO oxidation.

The oxidation of CO has attracted great interest in recent years because of its important role in enhancing the catalyst durability in fuel cells and in solving the growing environmental problems caused by CO emission. The usually used noble metal nanocatalysts are costly and require high reaction temperature for efficient operation. We report here a density functional theory (DFT) study of low...

Be12O12 Nano-cage as a Promising Catalyst for CO2 Hydrogenation

An efficient conversion of CO2 into valuable fuels and chemicals has been hotly pursued recently. Here, for the first time, we have explored a series of M12x12 nano-cages (M = B, Al, Be, Mg; X = N, P, O) for catalysis of CO2 to HCOOH. Two steps are identified in the hydrogenation process, namely, H2 activation to 2H*, and then 2H* transfer to CO2 forming HCOOH, where the barriers of two H* tran...

Introducing Pt/ZnO as a new non carbon substrate electro catalyst for oxygen reduction reaction at low temperature acidic fuel cells

Gas diffusion electrode was used for providing better conditions in fuel cell systems for oxygen reduction reaction (ORR). Because the slow kinetics of the oxygen reduction reaction at the proton exchange membrane fuel cell cathode restricts fuel cell efficiency. To this end, researchers have used platinum-coated carbon. In the present study, due to the reduction of carbon corrosion, Zinc oxide...