The toxic chemical warfare agents (CWAs) are extremely harmful to the living organisms.
Their efficient detection and removal in a limited time span are essential for the human …

Selective oxidation of H2S to sulfur is an efficient process for industrial applications and
environmental requirement to reduce the residual H2S in the Claus technology to an …

Writing scientific literature reviews is highly challenging, especially for broad topics like
“heterogeneous catalysis” due to the explosion of knowledge. In this article, we introduce a …

Bimetallic nanoparticles (NPs) have been shown to exhibit certain advantages over pure
NPs in catalysis due to a synergistic effect. It is common to disperse NPs in a polymer matrix …

NO reduction by CO over ac-ZrO 2 (110) ultrathin film covering a Cu (110) surface (ZrO
2/Cu) has been examined by means of density-functional theory calculations. Spontaneous …

Accurate gas phase formation enthalpies, Δ H f, of metal oxides and halides are critical for
the prediction of the stability of high temperature materials used in the aerospace and …

Composite oxides of copper and manganese are widely used in oxidation reactions, and the
main active component is copper-manganese spinel, whereas the copper oxide and …

In a previous publication [Catal. Lett. 147 (2017) 1827], zirconia-coated copper (Cu@ ZrO 2)
was proposed as a potential automotive catalyst on the basis of density-functional theory …

Density functional theory calculations have been used to investigate the mechanism of
intramolecular hydroamination of unactivated alkenes by using primary amines on gold …

Significant progress has been made in understanding the reactivity and catalytic activity of
gas-phase and loaded gold clusters for CO oxidation. However, little research has focused …