Insight into Room-Temperature Catalytic Oxidation of Nitric oxide by Cr2O3: A DFT Study
Cr-based catalysts have drawn attention as promising room-temperature NO oxidation
catalysts. However, the intrinsic active component and reaction mechanism at the atomic …
catalysts. However, the intrinsic active component and reaction mechanism at the atomic …
Revealing the tunable effects of single metal atoms supported on nitrogen-doped carbon nanotubes during NO oxidation from microkinetic simulation
C Si, M Yang, B Li - The Journal of Physical Chemistry C, 2022 - ACS Publications
NO oxidation is one of the most used catalytic routes for NO x removal, which is a pressing
environmental issue. As an emerging new class of catalysts, single atom catalysts (SACs) …
environmental issue. As an emerging new class of catalysts, single atom catalysts (SACs) …
Catalytic Oxidation of NO on [Au–M]− (M = Pd and Pt) Bimetallic Dimers: An Insight from Density Functional Theory Approach
Escalation of nitrogen monoxide (NO) concentration into the atmosphere has caused severe
environmental problems. So, it is important to prepare or design a suitable catalytic system …
environmental problems. So, it is important to prepare or design a suitable catalytic system …
Promotion mechanism of CeO 2 addition on the low temperature SCR reaction over MnO x/TiO 2: A new insight from the kinetic study
S Xiong, Y Liao, H Dang, F Qi, S Yang - RSC Advances, 2015 - pubs.rsc.org
CeO2 addition showed a notable improvement on the low temperature selective catalytic
reduction (SCR) performance of MnOx/TiO2. In this work, a new insight into the promotion …
reduction (SCR) performance of MnOx/TiO2. In this work, a new insight into the promotion …
Termolecular Eley–Rideal pathway for catalytic oxidation of nitric oxide on [Pt2]0,± dimers using O2
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 …
NO to NO2 on neutral and charged [Pt2] 0,±dimers has been considered employing …
O2 activation by AuAg clusters on a defective (100) MgO surface
F Buendía, AT Anzaldo, C Vital… - The Journal of Chemical …, 2020 - pubs.aip.org
In the present work, we discuss the electronic properties of supported dispersed bimetallic
clusters with respect to their size, geometry, and Au n/Ag m (n+ m= 6) composition. We have …
clusters with respect to their size, geometry, and Au n/Ag m (n+ m= 6) composition. We have …
Theoretical investigation of oxidation of NO (NO+ ½ O2→ NO2) on surfaces of nickel-doped nanocages (Ni–C60 and Ni–B30N30)
H Niu, L Sun, Y Xu, M Najafi - Journal of Molecular Graphics and Modelling, 2019 - Elsevier
In present study, the NO oxidation on Ni-carbon nanocage and Ni-boron nitride nanocage
surfaces was investigated. The Ni–C 60 and Ni–B 30 N 30 catalysts can oxidize the NO …
surfaces was investigated. The Ni–C 60 and Ni–B 30 N 30 catalysts can oxidize the NO …