Among fundamental diatomic molecules, the adsorption of carbon monoxide (CO) and nitric
oxide (NO) on metal surfaces has been a subject of intensive research in the surface …

Generally, the catalytic transformation of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) at
heterogeneous metal surfaces follows a Langmuir–Hinshelwood (L–H) mechanism when …

Disentangling the mechanistic details of a chemical reaction pathway is a hard problem that
often requires a considerable amount of chemical intuition and a component of luck …

Understanding the interaction of water and graphene is crucial for various applications such
as water purification, desalination, and electrocatalysis. Experimental and theoretical studies …

We have studied the adsorption of small nitric oxide (NO) clusters [(NO) n (n= 1–3)] on Cu
(111), by means of the van der Waals density functional. We have found that a single NO …

The reaction of nitric oxide (NO) on Cu (100) is studied by scanning tunneling microscopy,
electron energy loss spectroscopy and density functional theory calculations. The NO …

Surface formation markedly influences the stability and properties of nanoalloys. The surface
states of nanoalloys are sensitive to the constituent elements and to the surrounding …

In the present study, we first propose the grain-boundary termination of the MgO (0 0 1)
surface (referred as GB@ MgO (0 0 1)) as the substrate to support a series of Rh n clusters …

The nitric oxide (NO) reduction by H2 on the pure Ni (110) and single-atom Ir-doped Ni
(110)(Ir/Ni (110)) surfaces are investigated by density functional theory calculations coupled …

We have studied the NO reduction reaction on several Cu surfaces over a wide range of
temperatures, with two dissociation pathways considered: monomer dissociation and dimer …