Surface chemistry of late transition metal oxides
JF Weaver - Chemical reviews, 2013 - ACS Publications
The surface chemistry of late transition metal oxides is scientifically interesting and can play
a central role in commercial applications of heterogeneous catalysis. The late transition …
a central role in commercial applications of heterogeneous catalysis. The late transition …
CatMAP: a software package for descriptor-based microkinetic mapping of catalytic trends
Descriptor-based analysis is a powerful tool for understanding the trends across various
catalysts. In general, the rate of a reaction over a given catalyst is a function of many …
catalysts. In general, the rate of a reaction over a given catalyst is a function of many …
Boosting RuO2 Surface Reactivity by Cu Active Sites over Ru/Cu-SSZ-13 for Simultaneous Catalytic Oxidation of CO and NH3
Catalytic removal of CO from industrial flue gases has been an increasing concern. One
attempt is utilizing the tail part of an SCR unit to oxidize abundant CO and trace “slip NH3” …
attempt is utilizing the tail part of an SCR unit to oxidize abundant CO and trace “slip NH3” …
First-Principles Study of NO Reduction by CO on Cu2O(110) and Pd1/Cu2O(110) Surfaces
H Wen, J Liu - The Journal of Physical Chemistry C, 2021 - ACS Publications
Selective catalytic reduction of NO by CO (CO-SCR) is considered as one of the most
effective methods for simultaneous removal of two pollutants. The main challenge to achieve …
effective methods for simultaneous removal of two pollutants. The main challenge to achieve …
Momentum for Catalysis: How Surface Reactions Shape the RuO2 Flat Surface State
The active (110) surface of the benchmark oxygen evolution catalyst RuO2 spans a flat-band
surface state (FBSS) between the surface projections of its Dirac nodal lines (DNLs) that …
surface state (FBSS) between the surface projections of its Dirac nodal lines (DNLs) that …
LDA+ U evaluation of the stability of low-index facets of LaCoO3 perovskite
We report ab initio calculations at the LDA+U level to examine the atomic configurations and
stabilities of different terminations of the perovskite LaCoO 3. Results of cleavage energies …
stabilities of different terminations of the perovskite LaCoO 3. Results of cleavage energies …
Theoretical insights into the reaction mechanisms of NO oxidation catalyzed by Cu2O (1 1 1)
BZ Sun, XL Xu, WK Chen, LH Dong - Applied surface science, 2014 - Elsevier
The NO oxidation on Cu 2 O (1 1 1) with molecular oxygen, dissociated oxygen, and lattice
O, was studied by using periodic density functional theory. Cu 2 O could promote NO …
O, was studied by using periodic density functional theory. Cu 2 O could promote NO …
Electrochemical Reduction of CO2 on IrxRu(1–x)O2(110) Surfaces
High overpotentials and low faradic efficiencies plague metal catalysts for direct conversion
of CO2 to methanol and other liquid fuels. RuO2-based electrocatalysts have been observed …
of CO2 to methanol and other liquid fuels. RuO2-based electrocatalysts have been observed …
Role of CO* as a Spectator in CO2 Electroreduction on RuO2
RuO2-based electrocatalysts are found to be active at low overpotential toward direct
electrochemical reduction of CO2 to formic acid and methanol. RuO2 can circumvent the …
electrochemical reduction of CO2 to formic acid and methanol. RuO2 can circumvent the …
Simulations of the thermodynamics and kinetics of NH3 at the RuO2 (110) surface
E Erdtman, M Andersson, AL Spetz, L Ojamäe - Surface Science, 2017 - Elsevier
Abstract Ruthenium (IV) oxide (RuO 2) is a material used for various purposes. It acts as a
catalytic agent in several reactions, for example oxidation of carbon monoxide. Furthermore …
catalytic agent in several reactions, for example oxidation of carbon monoxide. Furthermore …