Towards accurate prediction of catalytic activity in IrO2 nanoclusters via first principles-based variable charge force field
出版年份 2015 全文链接
标题
Towards accurate prediction of catalytic activity in IrO2 nanoclusters via first principles-based variable charge force field
作者
关键词
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出版物
Journal of Materials Chemistry A
Volume 3, Issue 37, Pages 18970-18982
出版商
Royal Society of Chemistry (RSC)
发表日期
2015-08-11
DOI
10.1039/c5ta04678e
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers
- (2015) Federico Calle-Vallejo et al. Nature Chemistry
- Identifying Potential BO2 Oxide Polymorphs for Epitaxial Growth Candidates
- (2014) Prateek Mehta et al. ACS Applied Materials & Interfaces
- Towards a Molecular Level Understanding of the Multi-Electron Catalysis of Water Oxidation on Metal Oxide Surfaces
- (2014) Miao Zhang et al. CATALYSIS LETTERS
- XSEDE: Accelerating Scientific Discovery
- (2014) John Towns et al. COMPUTING IN SCIENCE & ENGINEERING
- Orientation-Dependent Oxygen Evolution Activities of Rutile IrO2 and RuO2
- (2014) Kelsey A. Stoerzinger et al. Journal of Physical Chemistry Letters
- Solar energy: Springtime for the artificial leaf
- (2014) Jessica Marshall NATURE
- Identification of an iridium-containing compound with a formal oxidation state of IX
- (2014) Guanjun Wang et al. NATURE
- Effect of spin orbit coupling and HubbardUon the electronic structure of IrO2
- (2014) S. K. Panda et al. PHYSICAL REVIEW B
- Characterization of an Amorphous Iridium Water-Oxidation Catalyst Electrodeposited from Organometallic Precursors
- (2013) James D. Blakemore et al. INORGANIC CHEMISTRY
- On the properties of binary rutile MO2 compounds, M = Ir, Ru, Sn, and Ti: A DFT study
- (2013) Gerard Novell-Leruth et al. JOURNAL OF CHEMICAL PHYSICS
- Domain structure for an amorphous iridium-oxide water-oxidation catalyst characterized by X-ray pair distribution function analysis
- (2013) Jier Huang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Complex orbital state stabilized by strong spin-orbit coupling in a metallic iridium oxide IrO2
- (2013) Yasuyuki Hirata et al. PHYSICAL REVIEW B
- Approaching chemical accuracy with density functional calculations: Diatomic energy corrections
- (2013) Scott Grindy et al. PHYSICAL REVIEW B
- 5d iridium oxide as a material for spin-current detection
- (2013) Kohei Fujiwara et al. Nature Communications
- New software tools for the calculation and display of isolated and attached interfacial-energy minimizing particle shapes
- (2012) Rachel V. Zucker et al. JOURNAL OF MATERIALS SCIENCE
- Theoretical Study of Structure, Stability, and the Hydrolysis Reactions of Small Iridium Oxide Nanoclusters
- (2012) Xin Zhou et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Synthesis and Activities of Rutile IrO2 and RuO2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions
- (2012) Youngmin Lee et al. Journal of Physical Chemistry Letters
- Artificial photosynthesis for solar water-splitting
- (2012) Yasuhiro Tachibana et al. Nature Photonics
- Direct Observation of a Hydroperoxide Surface Intermediate upon Visible Light-Driven Water Oxidation at an Ir Oxide Nanocluster Catalyst by Rapid-Scan FT-IR Spectroscopy
- (2011) Narayanappa Sivasankar et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Structure sensitivity and nanoscale effects in electrocatalysis
- (2011) Marc T. M. Koper Nanoscale
- A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles
- (2011) J. Suntivich et al. SCIENCE
- Light-Induced Water Splitting with Hematite: Improved Nanostructure and Iridium Oxide Catalysis
- (2010) S. David Tilley et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Nanosized IrO2 electrocatalysts for oxygen evolution reaction in an SPE electrolyzer
- (2010) J. C. Cruz et al. JOURNAL OF NANOPARTICLE RESEARCH
- CHARMM: The biomolecular simulation program
- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Electrogenerated IrOxNanoparticles as Dissolved Redox Catalysts for Water Oxidation
- (2009) Takaaki Nakagawa et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Powering the planet with solar fuel
- (2009) Harry B. Gray Nature Chemistry
- Solar to fuel
- (2009) Andrea Listorti et al. NATURE MATERIALS
- Electrochemical investigation of electrocatalysts for the oxygen evolution reaction in PEM water electrolyzers
- (2008) Shidong Song et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
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