Multi-atom cluster catalysts have turned out to be novel heterogeneous catalysts with atomic
dispersion for electrochemical energy applications. Beyond a simple combination of single …

Nitric oxides (NO x, which mainly include more than 90% NO) are one of the major air
pollutants leading to a series of environmental problems, such as acid rain, haze …

Nitrogen oxide (NO) is a major worldwide environmental pollutant, which can be eliminated
effectively by catalytic oxidation. However, conventional catalysts generally suffer from poor …

Among the many pollutants emitted from coal-fired power plants, elemental mercury (Hg 0)
and nitrogen oxides (NO x) are widely concerned and regarded as a global environmental …

The green conversion of renewable biomass to high-value-added products and green
hydrogen will lend itself to achieve carbon neutrality. Moreover, the use of solid …

A systematic density functional theory (DFT) calculations are performed on pure as well as
doped Au 3 trimer clusters to study the catalytic oxidation of NO to NO 2 using the M06L …

Nitric oxide (NO) can pose a severe threat to human health and the environment. Many
catalytic materials that contain noble metals can oxidize NO into NO2. Therefore, the …

Developing an efficient catalyst for NO oxidation and reduction at ambient temperature is a
significant challenge. Recent studies have suggested that the N-coordinated transition metal …

A comprehensive density functional theory (DFT) investigation of the catalytic oxidation of
NO to NO2 on neutral and charged [Pt2] 0,±dimers has been considered employing …

The purpose of this study is to reveal the adsorption mechanism of oxygen molecules on
gold clusters. density functional theory is employed to investigate the low-energy structure of …