Research on heterogeneous single-atom catalysts (SACs) has become an emerging frontier
in catalysis science because of their advantages in high utilization of noble metals, precisely …

The support plays an important role for supported metal catalysts by positioning itself as a
macromolecular ligand, which conditions the nature of the active site and contributes …

Graphene, the reincarnation of a surface, offers new opportunities in catalytic applications,
not only because of its peculiar electronic structure, but also because of the ease of …

Graphene-based catalysts are important in various applications ranging from hydrogen
production to fuel cells and gas conversion reactions, due to their high surface area, low …

Single-metal catalysts have attracted particular interests in recent years due to their
outstanding catalytic activity in CO oxidation reaction. In the present study, periodic DFT …

Density functional theory calculations have been carried out to investigate the adsorption of
methanol on the surface of Ga and Ge-doped graphene clusters and in order to explore the …

Carbon monoxide (CO) is the most harmful pollutant in the air, causing environmental issues
and adversely affecting humans and the vegetation and then raises global warming …

The competitive adsorption of sulfur dioxide and water molecules will degrade the
performance for CO oxidation catalyst in some processes such as automobile exhaust …

The non-noble transition metals (Sc, Ti, V, Cr, Mn) embedded in graphene as single-atom
catalysts have been comprehensively screened for CO oxidation using density functional …

In order to find an excellent sensing material for dissolved gases in transformer oil, the
adsorption structures of intrinsic graphene (IG), Ge-doped graphene (GeG), and Cr-doped …