On the properties of binary rutile MO2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study
Published 2013 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
On the properties of binary rutile MO2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 138, Issue 19, Pages 194706
Publisher
AIP Publishing
Online
2013-05-21
DOI
10.1063/1.4803854
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Surface Chemistry of Ruthenium Dioxide in Heterogeneous Catalysis and Electrocatalysis: From Fundamental to Applied Research
- (2012) Herbert Over CHEMICAL REVIEWS
- Highly Single Crystalline IrxRu1–xO2 Mixed Metal Oxide Nanowires
- (2012) Yumin Lee et al. Journal of Physical Chemistry C
- In situ surface coverage analysis of RuO2-catalysed HCl oxidation reveals the entropic origin of compensation in heterogeneous catalysis
- (2012) Detre Teschner et al. Nature Chemistry
- State-of-the-art and challenges in theoretical simulations of heterogeneous catalysis at the microscopic level
- (2012) Núria López et al. Catalysis Science & Technology
- Size effects in Atomic-Level Epitaxial Redistribution Process of RuO2 over TiO2
- (2012) Guolei Xiang et al. Scientific Reports
- Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution
- (2011) Mónica García-Mota et al. ChemCatChem
- Promoters in the hydrogenation of alkynes in mixtures: insights from density functional theory
- (2011) Núria López et al. CHEMICAL COMMUNICATIONS
- Advanced Nanoarchitectures for Solar Photocatalytic Applications
- (2011) Anna Kubacka et al. CHEMICAL REVIEWS
- Synthesis of Rutile-Phase SnxTi1–xO2Solid-Solution and (SnO2)x/(TiO2)1–xCore/Shell Nanoparticles with Tunable Lattice Constants and Controlled Morphologies
- (2011) Lena Trotochaud et al. CHEMISTRY OF MATERIALS
- Energy levels, charge injection, charge recombination and dye regeneration dynamics for donor–acceptor π-conjugated organic dyes in mesoscopic TiO2 sensitized solar cells
- (2011) Miquel Planells et al. Energy & Environmental Science
- An integrated approach to Deacon chemistry on RuO2-based catalysts
- (2011) Detre Teschner et al. JOURNAL OF CATALYSIS
- Atomic Layer Deposition of Aluminum Oxide on TiO2 and Its Impact on N3 Dye Adsorption from First Principles
- (2011) Ville Mäkinen et al. Journal of Physical Chemistry C
- Electronic basis of visible region activity in high area Sn-doped rutile TiO2 photocatalysts
- (2011) Freddy E. Oropeza et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Theoretical study of the (110) surface of Sn1-xTixO2 solid solutions with different distribution and content of Ti
- (2011) Konstanze R. Hahn et al. SURFACE SCIENCE
- Development of RuO2/Rutile-TiO2 Catalyst for Industrial HCl Oxidation Process
- (2010) Kohei Seki CATALYSIS SURVEYS FROM ASIA
- Structural analyses of RuO2–TiO2/Ti and IrO2–RuO2–TiO2/Ti anodes used in industrial chlor-alkali membrane processes
- (2010) Yoshio Takasu et al. JOURNAL OF APPLIED ELECTROCHEMISTRY
- Titania-water interactions: a review of theoretical studies
- (2010) Chenghua Sun et al. JOURNAL OF MATERIALS CHEMISTRY
- Bidimensional versus tridimensional oxygen vacancy diffusion in SnO2−x under different gas environments
- (2010) N. López et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Charge Localization Dynamics Induced by Oxygen Vacancies on theTiO2(110)Surface
- (2010) Piotr M. Kowalski et al. PHYSICAL REVIEW LETTERS
- Study of IrxRu1−xO2 oxides as anodic electrocatalysts for solid polymer electrolyte water electrolysis
- (2009) Jinbin Cheng et al. ELECTROCHIMICA ACTA
- First-principle calculations of structural and electronic properties of rutile-phase dioxides (MO2), M = Ti, V, Ru, Ir and Sn
- (2009) B. A. Hamad EUROPEAN PHYSICAL JOURNAL B
- Reduced and n-Type Doped TiO2: Nature of Ti3+ Species
- (2009) Cristiana Di Valentin et al. Journal of Physical Chemistry C
- Formation energies of rutile metal dioxides using density functional theory
- (2009) J. I. Martínez et al. PHYSICAL REVIEW B
- Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces
- (2008) Eva M. Fernández et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Mechanism of HCl oxidation (Deacon process) over RuO2
- (2008) Núria López et al. JOURNAL OF CATALYSIS
- Density Functional Theory Study on the Structural and Electronic Properties of Low Index Rutile Surfaces for TiO2/SnO2/TiO2and SnO2/TiO2/SnO2Composite Systems†
- (2008) A. Beltrán et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Surface segregation energies in low-index open surfaces of bimetallic transition metal alloys
- (2008) Anand Udaykumar Nilekar et al. SURFACE SCIENCE
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search