After carbon, hydrogen, and oxygen, nitrogen is the next most abundant element in the
human body. Inorganic and organic compounds of nitrogen feature prominently in many …

The adsorption of several atomic (H, O, N, S, and C) and molecular (N2, HCN, CO, NO, and
NH3) species and molecular fragments (CN, CNH2, NH2, NH, CH3, CH2, CH, HNO, NOH …

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 …

Since Au turned out to be an active catalyst for CO oxidation at low temperatures, CO
adsorption on various Au surfaces has been in the scope of numerous surface science …

We performed density functional theory calculations with van der Waals corrections to
elucidate diamond oxidation mechanism on the atomic-level which could lead to insights …

Pt is the most common catalyst for NO oxidation to NO2, a key reaction in NO x remediation
chemistry. In this work, density functional theory calculations and plane-wave supercell …

Ab initio density-functional calculations have been used to investigate the molecular
adsorption of NO on the close-packed surfaces of late transition metals (Co, Ni, Ru, Rh, Pd …

Density functional theory (DFT) calculations of energetic, geometric, vibrational, and
electrostatic properties of different arrangements of CO and NO at quarter and half …

We present a combined in situ Fourier transform infrared reflection− absorption
spectroscopy and voltammetric study of the reduction of saturated and subsaturated NO …

The surface chemistry and physics of oxide ferroelectric surfaces with a fixed polarization
state have been studied experimentally for some time. Here, we discuss the possibility of …