Atomic dispersion of metal species has attracted attention as a unique phenomenon that
affects adsorption properties and catalytic activities and that can be used to design so-called …

Effective detecting toxic gases and the clean energy hydrogen is urgently necessary in
industrial production and our daily life. Here, the sensing properties of Au-adsorbed/doped …

The adsorption behavior of NO gas on the pristine graphitic carbon nitride (gCN) and
transition metal atoms (TM)‒embedded gCN systems (TM= Fe, Ru, and Os atoms) was …

Density functional theory calculations are performed to analyze the structure and stability of
Cu and Cu‐K clusters with 3 to 9 atoms. The results indicate that the stability of the clusters …

A facile strategy was employed to pretreat Pd/SSZ-13 zeolite obtained via the initial-
impregnated method under a microwave field, aiming to greatly enhancing the NO x storage …

In this study, glucose was used in the synthesis of SSZ-13 zeolites; it acted as a zeolite
growth regulator to successfully change the morphology of SSZ-13 zeolites. The particle size …

The NO adsorption and dissociation on neutral, charged and Ni-doped Pd 13 clusters were
studied by using density functional calculations. Our results revealed that NO always prefers …

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 effect of zeolitic particle size on the NOx adsorption and desorption was investigated by
synthesizing ZSM-11 zeolites with different particle sizes (0.5∼ 0.8, 1∼ 2, and 5∼ 6 μm) for …

The role played by the metal− support (MSI) and metal− metal (MMI) interactions on two
important processes in controlling the catalyst performance—nucleation and molecular …