Transition-metal‐doped ceria carried on two-dimensional vermiculite for selective catalytic reduction of NO with CO: Experiments and density functional theory

Constructing active copper species in Cu-zeolites for coal-gas-SCR and elucidating the synergistic catalytic function of CuO and Cu2+ ion species

“…9 Therefore, in an attempt to overcome the inherent shortcomings of NH 3 -SCR catalysts, whether some other better reductants can replace ammonia to reduce NO x has been studied over decades. SCR by hydrogen (H 2 -SCR), 10,11 hydrocarbons (HC-SCR), 12,13 and carbon monoxide (CO-SCR) [14][15][16] has attracted extensive attention in recent years. However, previous studies indicated that H 2 -SCR, CO-SCR, and HC-SCR exhibited low catalytic performance under oxygen rich conditions, which made these technologies still far away from industrial application.…”

The Unique CO Activation Effects for Boosting NH3 Selective Catalytic Oxidation over CuOx–CeO2

“…There are six images between the initial (IS) and final (FS) states. The minimum energy path is used to discretize each fundamental response, and the TS is identified by the maximum amplitude image along the minimum energy path …”

“…The minimum energy path is used to discretize each fundamental response, and the TS is identified by the maximum amplitude image along the minimum energy path. 22 The reaction (ΔE) and activation (E a ) energies were calculated by the Born−Oppenheimer energy difference between IS, TS, and FS: where E IS , E TS , and E FS are the energies of the IS, TS, and FS, respectively, and the equation for calculating E ads is given as follows:…”

Cation Concavities Induced d-Band Electronic Modulation on Co/FeOx Nanostructure to Activate Molecular and Interfacial Oxygen for CO Oxidation

“…There are six images between the initial (IS) and final (FS) states. 26 The minimum energy path is used to discretize each basic response, and the transmission system is identified by the maximum amplitude image along the minimum energy path.…”