Carbon dioxide(CO2)has been recognized as a greenhouse gas causing global warming.CO2 activation and conversion has attracted the great interest due to their scientific and industrial importance.
Chemical bonding is one of the most important concepts in chemistry.Basically,the properties of materials are defined by the type of atoms they contain and how they are bonded together.
The main goal of this work is to study the charge transfer at the interface of graphene enhanced dye sensitized TiO2 solar cell system by using first-principles calculations based on density functiona
Density functional theory calculations were performed to elucidate the mechanism of the methylation reaction of N,N-dimethylaminopyridine(DMAP)-modified meta-phenylene ethynylene foldamer with eight m
Electric field is an effective route to tune the performance of catalysts.Here,we have probed the change of CO/O2 adsorption,the reaction mechanism of CO oxidation on Mn-doped graphene as a result of
Compared with the traditional silicon-based solar cells,the dye-sensitized solar cells(DSSCs)have the characteristics of high photoelectric conversion efficiency and low production cost,so it has a wi