Related references
Note: Only part of the references are listed.CO2-ZrO2 interaction in CDRM: A combined experimental and theoretical study
Ali Uzun et al.
SURFACE SCIENCE (2022)
An in situ FTIR-DRIFTS study on CDRM over Co-Ce/ZrO2: Active surfaces and mechanistic features
A. Ipek Paksoy et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2020)
Role of oxygen vacancy in the adsorption and dissociation of the water molecule on the surfaces of pure and Ni-doped rutile (110): a periodic full potential DFT study
Hajar Heydari et al.
SURFACE SCIENCE (2019)
Disentangling the role of oxygen vacancies on the surface of Fe3O4 and γ-Fe2O3
Wei Jian et al.
INORGANIC CHEMISTRY FRONTIERS (2019)
Iron oxides with a reverse spinel structure: impact of active sites on molecule adsorption
Wei Jian et al.
INORGANIC CHEMISTRY FRONTIERS (2019)
Nature of Sintering-Resistant, Single-Atom Ru Species Dispersed on Zirconia-Based Catalysts: A DFT and FTIR Study of CO Adsorption
Ho Viet Thang et al.
CHEMCATCHEM (2018)
The effects of Co/Ce loading ratio and reaction conditions on CDRM performance of Co Ce/ZrO2 catalysts
A. Ipek Paksoy et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2018)
Density Functional Theory Calculations of Oxygen Vacancy Formation and Subsequent Molecular Adsorption on Oxide Surfaces
Yoyo Hinuma et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Understanding Structure and Stability of Monoclinic Zirconia Surfaces from First-Principles Calculations
Andrey S. Bazhenov et al.
TOPICS IN CATALYSIS (2017)
Oxygen Vacancy Formation, Mobility, and Hydrogen Pick-up during Oxidation of Zirconium by Water
Mikaela Lindgren et al.
OXIDATION OF METALS (2017)
Structural, electronic and optical properties of non-compensated and compensated models of yttrium stabilized zirconia
Sahar Ramin Gul et al.
MATERIALS RESEARCH EXPRESS (2017)
First-principles study the behavior of oxygen vacancy on the surface of ZrO2 and Zr0.97M0.03O2
Hongchun Luo et al.
COMPUTATIONAL CONDENSED MATTER (2017)
Effect of support composition on the origin and reactivity of carbon formed during dry reforming of methane over 5 wt% Ni/Ce1-xMxO2-δ (M = Zr4+, Pr3+) catalysts
M. M. Makri et al.
CATALYSIS TODAY (2016)
A DFT study of the acid-base properties of anatase TiO2 and tetragonal ZrO2 by adsorption of CO and CO2 probe molecules
Hsin-Yi Tiffany Chen et al.
SURFACE SCIENCE (2016)
A study on characterization and methane dry reforming performance of Co-Ce/ZrO2 catalyst
A. Ipek Paksoy et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2015)
A first-principle study of oxygen reduction reaction on monoclinic zirconia ((1)over-bar11), ((1)over-bar01) and (110) surfaces
Guangjin Wang et al.
CATALYSIS COMMUNICATIONS (2015)
CO2 methanation of Ni catalysts supported on tetragonal ZrO2 doped with Ca2+ and Ni2+ ions
H. Takano et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2015)
Review: monoclinic zirconia, its surface sites and their interaction with carbon monoxide
Sonja Kouva et al.
CATALYSIS SCIENCE & TECHNOLOGY (2015)
A Comprehensive DFT Investigation of Bulk and Low-Index Surfaces of ZrO2 Polymorphs
Chiara Ricca et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2015)
CO2 Capture by TiO2 Anatase Surfaces: A Combined DFT and FTIR Study
Lorenzo Mino et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Water and carbon oxides on monoclinic zirconia: experimental and computational insights
Sonja Kouva et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Carbon dioxide activation and dissociation on ceria (110): A density functional theory study
Zhuo Cheng et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Revealing the Surface Reactivity of Zirconia by Periodic DFT Calculations
Olga A. Syzgantseva et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Catalytic activity and effect of modifiers on Ni-based catalysts for the dry reforming of methane
Maria Martha Barroso-Quiroga et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2010)
Oxygen vacancy formation and migration in Ce1-xZrxO2 catalyst: A DFT plus U calculation
Hsin-Tsung Chen et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Effect of the Y2O3-ZrO2 support composition on nickel catalyst evaluated in dry reforming of methane
Jorge D. A. Bellido et al.
APPLIED CATALYSIS A-GENERAL (2009)
Influence of composition of MgAl2O4 supported NiCeO2ZrO2 catalysts on coke formation and catalyst stability for dry reforming of methane
Steven Corthals et al.
CATALYSIS TODAY (2008)
Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements
Gianfranco Pacchioni
JOURNAL OF CHEMICAL PHYSICS (2008)
Structure and Stability of Formates and Carbonates on Monoclinic Zirconia: A Combined Study by Density Functional Theory and Infrared Spectroscopy
Satu T. Korhonen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
Electron localization determines defect formation on ceria substrates
F Esch et al.
SCIENCE (2005)
First principles methods using CASTEP
SJ Clark et al.
ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2005)
Ligand Depot: a data warehouse for ligands bound to macromolecules
ZK Feng et al.
BIOINFORMATICS (2004)
Structure and electrical levels of point defects in monoclinic zirconia
AS Foster et al.
PHYSICAL REVIEW B (2001)
The effects of synthesis and pretreatment conditions on the bulk structure and surface properties of zirconia
KT Jung et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2000)
Share Paper
