Systematic DFT studies of CO-Tolerance and CO oxidation on Cu-doped Ni surfaces

Boosting the performance of alkaline direct ethanol fuel cell with low-Pd-loading nickel foam electrode via mixed acid-etching

(2022) Jiajia Zhang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Facile hydrothermal deposition of Copper-Nickel Sulfide nanostructures on Nickel foam for enhanced electrochemical performance and kinetics of charge storage

(2021) Aviraj M. Teli et al.   APPLIED SURFACE SCIENCE

Nickel-manganese double hydroxide mixed with reduced graphene oxide electrocatalyst for efficient ethylene glycol electrooxidation and hydrogen evolution reaction

(2021) Mahmoud A. Hefnawy et al.   SYNTHETIC METALS

Catalytic CO oxidation by Fe doped penta-graphene: A density functional study

(2019) Donglin Li et al.   Molecular Catalysis

Atomic and Molecular Adsorption on Cu(111)

(2018) Lang Xu et al.   TOPICS IN CATALYSIS

CO Oxidation on a Au/TiO2 Nanoparticle Catalyst via the Au-Assisted Mars–van Krevelen Mechanism

(2018) Philomena Schlexer et al.   ACS Catalysis

Unveiling the CO adsorption on Cu Surfaces: New Insights from Molecular Orbital Principles

(2018) Kareem M Gameel et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT investigation of Ni-doped graphene: catalytic ability to CO oxidation

(2016) Xian-Yan Xu et al.   NEW JOURNAL OF CHEMISTRY

Water-Mediated Mars–Van Krevelen Mechanism for CO Oxidation on Ceria-Supported Single-Atom Pt1 Catalyst

(2016) Chunlei Wang et al.   ACS Catalysis

Density functional theory (DFT) studies of CO oxidation reaction on M13 and Au18M clusters (M = Au, Ag, Cu, Pt and Pd): the role of co-adsorbed CO molecule

(2016) Wenping Zeng et al.   RSC Advances

Enhanced Chemical Reactivity of Pristine Graphene Interacting Strongly with a Substrate: Chemisorbed Carbon Monoxide on Graphene/Nickel(1 1 1)

(2015) Marco Smerieri et al.   ChemCatChem

Single Pt atom stabilized on nitrogen doped graphene: CO oxidation readily occurs via the tri-molecular Eley–Rideal mechanism

(2015) Xilin Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT-GGA errors in NO chemisorption energies on (111) transition metal surfaces

(2013) Xu Huang et al.   SURFACE SCIENCE

CO oxidation over graphene supported palladium catalyst

(2012) Yingzhi Li et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Hybrid DFT and hyper-GGA DFT studies of the CO adsorption on Pt nanoclusters: Effects of the cluster size and better CO LUMO description

(2010) Yu-Wei Huang et al.   CHEMICAL PHYSICS LETTERS

Adsorption of CO on Cu (110) and (100) surfaces using COSMO-based DFT

(2009) Zhijun Zuo et al.   JOURNAL OF MOLECULAR MODELING

Advances in Correlated Electronic Structure Methods for Solids, Surfaces, and Nanostructures

(2007) Patrick Huang et al.   Annual Review of Physical Chemistry