标题
Exploring Computational Design of Size-Specific Subnanometer Clusters Catalysts
作者
关键词
-
出版物
TOPICS IN CATALYSIS
Volume 55, Issue 5-6, Pages 353-365
出版商
Springer Nature
发表日期
2012-04-25
DOI
10.1007/s11244-012-9804-4
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Descriptor-Based Analysis Applied to HCN Synthesis from NH3 and CH4
- (2011) Lars C. Grabow et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- CO Oxidation as a Prototypical Reaction for Heterogeneous Processes
- (2011) Hans-Joachim Freund et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Formation of oxygen active species in Ag-modified CeO2 catalyst for soot oxidation: A DFT study
- (2011) Gloria Preda et al. CATALYSIS TODAY
- Comparative studies of silver based catalysts supported on different supports for the oxidation of formaldehyde
- (2011) Dan Chen et al. CATALYSIS TODAY
- Nanosized Ag/α-MnO2 catalysts highly active for the low-temperature oxidation of carbon monoxide and benzene
- (2011) Qing Ye et al. CATALYSIS TODAY
- Carbon oxidation with Ag/ceria prepared by self-dispersion of Ag powder into nano-particles
- (2011) Ken-ichi Shimizu et al. CATALYSIS TODAY
- Oxidative Addition of the CαCβ Bond in β-O-4 Linkage of Lignin to Transition Metals Using a Relativistic Pseudopotential-Based ccCA-ONIOM Method
- (2011) Gbenga A. Oyedepo et al. CHEMPHYSCHEM
- Palladium nano-clusters grown on prestructured HOPG substrates
- (2011) Z. Yuan et al. EUROPEAN PHYSICAL JOURNAL D
- Communication: Suppression of sintering of size-selected Pd clusters under realistic reaction conditions for catalysis
- (2011) Feng Yin et al. JOURNAL OF CHEMICAL PHYSICS
- DFT Studies of Palladium Model Catalysts: Structure and Size Effects
- (2011) Ilya V. Yudanov et al. JOURNAL OF CLUSTER SCIENCE
- A first-principles theoretical approach to heterogeneous nanocatalysis
- (2011) Fabio R. Negreiros et al. Nanoscale
- Simultaneous measurement of X-ray small angle scattering, absorption and reactivity: A continuous flow catalysis reactor
- (2011) Sungsik Lee et al. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
- Oxygen adsorption on small PtNi nanoalloys
- (2011) Cono di Paola et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Universal transition state scaling relations for (de)hydrogenation over transition metals
- (2011) S. Wang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Density functional theory in surface chemistry and catalysis
- (2011) J. K. Norskov et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- High-Throughput Discovery of New Chemical Reactions
- (2011) J. Montgomery SCIENCE
- A Simple, Multidimensional Approach to High-Throughput Discovery of Catalytic Reactions
- (2011) D. W. Robbins et al. SCIENCE
- Cleavage of the C–O–C bond on size-selected subnanometer cobalt catalysts and on ALD-cobalt coated nanoporous membranes
- (2010) Weiling Deng et al. APPLIED CATALYSIS A-GENERAL
- Formaldehyde activation by Cu(I) and Ag(I) sites in ZSM-5: ETS-NOCV analysis of charge transfer processes
- (2010) E. Broclawik et al. CATALYSIS TODAY
- Size-dependent selectivity and activity of silver nanoclusters in the partial oxidation of propylene to propylene oxide and acrolein: A joint experimental and theoretical study
- (2010) Luis M. Molina et al. CATALYSIS TODAY
- Overcoming Limitation in the Design of Selective Solid Catalysts by Manipulating Shape and Size of Catalytic Particles: Epoxidation Reactions on Silver
- (2010) Suljo Linic et al. ChemCatChem
- H2-Induced Reconstruction of Supported Pt Clusters: Metal-Support Interaction versus Surface Hydride
- (2010) Christophe Mager-Maury et al. ChemCatChem
- Prototype Supported Metal Cluster Catalysts: Ir4 and Ir6
- (2010) Alper Uzun et al. ChemCatChem
- Metal clusters on supports: synthesis, structure, reactivity, and catalytic properties
- (2010) Apoorva Kulkarni et al. CHEMICAL COMMUNICATIONS
- Assessment of Gaussian-4 theory for energy barriers
- (2010) Larry A. Curtiss et al. CHEMICAL PHYSICS LETTERS
- Clean liquid fuels from direct coal liquefaction: chemistry, catalysis, technological status and challenges
- (2010) Sivakumar Vasireddy et al. Energy & Environmental Science
- Highly energetic nitrogen species: Reliable energetics via the correlation consistent Composite Approach (ccCA)
- (2010) Kameron R. Jorgensen et al. JOURNAL OF HAZARDOUS MATERIALS
- Multireference Correlation Consistent Composite Approach [MR-ccCA]: Toward Accurate Prediction of the Energetics of Excited and Transition State Chemistry†
- (2010) Gbenga A. Oyedepo et al. JOURNAL OF PHYSICAL CHEMISTRY A
- A QM/QM Multilayer Composite Methodology: The ONIOM Correlation Consistent Composite Approach (ONIOM-ccCA)
- (2010) Somak R. Das et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Comparative Density Functional Study of Methanol Decomposition on Cu4and Co4Clusters†
- (2010) F. Mehmood et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Oxidative Decomposition of Methanol on Subnanometer Palladium Clusters: The Effect of Catalyst Size and Support Composition
- (2010) Sungsik Lee et al. Journal of Physical Chemistry C
- Size-Dependent Oxygen Activation Efficiency over Pdn/TiO2(110) for the CO Oxidation Reaction
- (2010) William E. Kaden et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Structure−Reactivity Correlations in Pd−Au Bimetallic Nanoclusters†
- (2010) Elad Gross et al. LANGMUIR
- Highly monodisperse Cu- and Ag-based bimetallic nanocrystals for the efficient utilization of noble metals in catalysis
- (2010) Shuling Shen et al. Nanoscale
- Size-selected clusters as heterogeneous model catalysts under applied reaction conditions
- (2010) Sebastian Kunz et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Simple model explaining and predicting coverage-dependent atomic adsorption energies on transition metal surfaces
- (2010) Nilay İnoğlu et al. PHYSICAL REVIEW B
- Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects
- (2010) Y. Lei et al. SCIENCE
- Selective Propene Epoxidation on Immobilized Au6-10Clusters: The Effect of Hydrogen and Water on Activity and Selectivity
- (2009) Sungsik Lee et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Chemisorption of CO and H on Pd, Pt and Au nanoclusters: a DFT approach
- (2009) L. O. Paz-Borbon et al. EUROPEAN PHYSICAL JOURNAL D
- Constrained density functional theory based configuration interaction improves the prediction of reaction barrier heights
- (2009) Qin Wu et al. JOURNAL OF CHEMICAL PHYSICS
- On the effectiveness of partial oxidation of propylene by gold: A density functional theory study
- (2009) Alberto Roldan et al. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
- Density Functional Investigation of Methanol Dehydrogenation on Pd(111)
- (2009) Ruibin Jiang et al. Journal of Physical Chemistry C
- Density Functional Studies of Methanol Decomposition on Subnanometer Pd Clusters
- (2009) F. Mehmood et al. Journal of Physical Chemistry C
- Potential Energy Surface of Methanol Decomposition on Cu(110)
- (2009) Donghai Mei et al. Journal of Physical Chemistry C
- Trends in CO Oxidation Rates for Metal Nanoparticles and Close-Packed, Stepped, and Kinked Surfaces
- (2009) T. Jiang et al. Journal of Physical Chemistry C
- Unravelling the Nature of Gold Surface Sites by Combining IR Spectroscopy and DFT Calculations. Implications in Catalysis
- (2009) M. Boronat et al. Journal of Physical Chemistry C
- Dispersion interactions in density-functional theory
- (2009) Erin R. Johnson et al. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
- Modeling Ethanol Decomposition on Transition Metals: A Combined Application of Scaling and Brønsted−Evans−Polanyi Relations
- (2009) P. Ferrin et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Bond control in surface reactions
- (2009) Jens K. Nørskov et al. NATURE
- Towards the computational design of solid catalysts
- (2009) J. K. Nørskov et al. Nature Chemistry
- Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane
- (2009) Stefan Vajda et al. NATURE MATERIALS
- A DFT comparative study of carbon adsorption and diffusion on the surface and subsurface of Ni and Ni3Pd alloy
- (2009) F. Cinquini et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Size-dependent oxidation of Pdn (n⩽13) on alumina/NiAl(110): Correlation with Pd core level binding energies
- (2009) Tianpin Wu et al. SURFACE SCIENCE
- Selective Oxidation Catalysis: Opportunities and Challenges
- (2009) Ive Hermans et al. TOPICS IN CATALYSIS
- Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces
- (2008) Eva M. Fernández et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Density Functional Study of the Effects of Strains on the Adsorption of Methoxide and its Decomposed Intermediates on Cu(100) Surface
- (2008) Agnes S. Y. Foo et al. CATALYSIS LETTERS
- Decomposition of methanol by Pd, Co, and bimetallic Co–Pd catalysts: A combined study of well-defined systems under ambient and UHV conditions
- (2008) H BORCHERT et al. JOURNAL OF CATALYSIS
- Towards an understanding of promoter action in heterogeneously catalyzed ethene epoxidation: Why chlorine is the best halogen
- (2008) Daniel Torres et al. JOURNAL OF CATALYSIS
- Effect of Ag Adatoms on High-Coverage Alkanethiolate Adsorption on Au(111)
- (2008) M. H. Fonticelli et al. Journal of Physical Chemistry C
- Density Functional Theory Study of Methanol Decomposition on the CeO2(110) Surface
- (2008) Donghai Mei et al. Journal of Physical Chemistry C
- Hydrogen dissociative chemisorption and desorption on saturated subnano palladium clusters (Pdn, n = 2–9)
- (2008) Chenggang Zhou et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Insights into Current Limitations of Density Functional Theory
- (2008) A. J. Cohen et al. SCIENCE
- The chemistry of chlorine on Ag(111) over the sub-monolayer range: A density functional theory investigation
- (2008) Alberto Roldán et al. SURFACE SCIENCE
- Surface-structure sensitivity of CeO2 for several catalytic reactions
- (2007) Mika Kobune et al. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
- Enhancement of the photocatalytic activity of TiO2through spatial structuring and particle size control: from subnanometric to submillimetric length scale
- (2007) Carmela Aprile et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now