Catalysis: Role and Challenges for a Sustainable Energy
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April 2009 |
Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes
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January 2013 |
Transformation of Carbon Dioxide with Homogeneous Transition-Metal Catalysts: A Molecular Solution to a Global Challenge?
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August 2011 |
Computational Approaches to the Chemical Conversion of Carbon Dioxide
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May 2013 |
A review of the aqueous electrochemical reduction of CO2 to hydrocarbons at copper
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August 2006 |
Fe and Pt carbon nanotubes for the electrocatalytic conversion of carbon dioxide to oxygenates
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May 2009 |
Electrochemical reduction of carbon dioxide at various series of copper single crystal electrodes
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May 2003 |
Recent progress in the electrochemical conversion and utilization of CO2
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January 2012 |
Prospects of CO2 Utilization via Direct Heterogeneous Electrochemical Reduction
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December 2010 |
Towards Solar Fuels from Water and CO 2
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February 2010 |
Photochemical and Photoelectrochemical Reduction of CO 2
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May 2012 |
Electrocatalytic and homogeneous approaches to conversion of CO 2 to liquid fuels
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January 2009 |
New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces
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January 2012 |
A new mechanism for the selectivity to C1 and C2 species in the electrochemical reduction of carbon dioxide on copper electrodes
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January 2011 |
How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels
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January 2010 |
Adsorption of CO accompanied with simultaneous charge transfer on copper single crystal electrodes related with electrochemical reduction of CO2 to hydrocarbons
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July 1995 |
Theoretical Considerations on the Electroreduction of CO to C 2 Species on Cu(100) Electrodes
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June 2013 |
Electroreduction of carbon dioxide on platinum single crystal electrodes: electrochemical and in situ FTIR studies
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November 1990 |
Atomic arrangement dependence of reduction rates of carbon dioxide on iridium single crystal electrodes
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January 1995 |
CO2 Reduction on Rh single crystal electrodes and the structural effect
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October 1995 |
Electrochemical Reduction of CO2 Using Supported Cu2O Nanoparticles
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August 2013 |
Aligned carbon nanotube/copper sheets: a new electrocatalyst for CO 2 reduction to hydrocarbons
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January 2014 |
Aqueous CO 2 Reduction at Very Low Overpotential on Oxide-Derived Au Nanoparticles
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November 2012 |
Carbon dioxide conversion into hydrocarbon fuels on defective graphene-supported Cu nanoparticles from first principles
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January 2014 |
Electroreduction of Carbon Dioxide to Methane on Copper, Copper–Silver, and Copper–Gold Catalysts: A DFT Study
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April 2013 |
Controlling Catalytic Selectivities during CO 2 Electroreduction on Thin Cu Metal Overlayers
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July 2013 |
CO2 Reduction at Low Overpotential on Cu Electrodes Resulting from the Reduction of Thick Cu2O Films
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April 2012 |
Formation of Nanoarchitectures Including Subnanometer Palladium Clusters and Their Use as Highly Active Catalysts
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February 2005 |
Oxidative Decomposition of Methanol on Subnanometer Palladium Clusters: The Effect of Catalyst Size and Support Composition
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May 2010 |
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
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February 2011 |
CO Oxidation by Subnanometer Ag x Au 3– x Supported Clusters via Density Functional Theory Simulations
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July 2012 |
Oxidative Dehydrogenation of Cyclohexane on Cobalt Oxide (Co 3 O 4 ) Nanoparticles: The Effect of Particle Size on Activity and Selectivity
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September 2012 |
Size-Dependent Subnanometer Pd Cluster (Pd 4 , Pd 6 , and Pd 17 ) Water Oxidation Electrocatalysis
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June 2013 |
Catalytic Activities of Subnanometer Gold Clusters (Au 16 –Au 18 , Au 20 , and Au 27 –Au 35 ) for CO Oxidation
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September 2011 |
Exploring Computational Design of Size-Specific Subnanometer Clusters Catalysts
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April 2012 |
Density Functional Studies of Methanol Decomposition on Subnanometer Pd Clusters
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December 2009 |
Comparative Density Functional Study of Methanol Decomposition on Cu 4 and Co 4 Clusters †
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November 2010 |
Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane
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February 2009 |
Methane bond activation by Pt and Pd subnanometer clusters supported on graphene and carbon nanotubes
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May 2012 |
Particle Size Effects in the Catalytic Electroreduction of CO 2 on Cu Nanoparticles
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May 2014 |
Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects
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April 2010 |
Strong Effects of Cluster Size and Air Exposure on Oxygen Reduction and Carbon Oxidation Electrocatalysis by Size-Selected Pt n ( n ≤ 11) on Glassy Carbon Electrodes
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February 2013 |
Experimental and Computational Investigation of Au 25 Clusters and CO 2 : A Unique Interaction and Enhanced Electrocatalytic Activity
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June 2012 |
Reaction Mechanism of the Reverse Water–Gas Shift Reaction Using First-Row Middle Transition Metal Catalysts L′M (M = Fe, Mn, Co): A Computational Study
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September 2011 |
Theoretical Studies on the Catalysis of the Reverse Water−Gas Shift Reaction Using First-Row Transition Metal β-Diketiminato Complexes
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June 2010 |
CO 2 Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis
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February 2012 |
Photoredox Reactions and the Catalytic Cycle for Carbon Dioxide Fixation and Methanogenesis on Metal Oxides
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March 2012 |
Role of Water and Carbonates in Photocatalytic Transformation of CO 2 to CH 4 on Titania
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March 2011 |
Computational screening of dopants for photocatalytic two-electron reduction of CO2 on anatase (101) surfaces
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January 2012 |
A Theoretical Study of CO 2 Anions on Anatase (101) Surface
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November 2010 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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January 1988 |
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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July 2007 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
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February 1997 |
Toward reliable density functional methods without adjustable parameters: The PBE0 model
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April 1999 |
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
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February 1982 |
An improved 6-31G* basis set for first-row transition metals
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May 2003 |
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
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January 1985 |
Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals
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January 1985 |
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
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January 1985 |
Natural hybrid orbitals
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September 1980 |
Natural bond orbital analysis of near‐Hartree–Fock water dimer
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March 1983 |
Natural population analysis
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July 1985 |
Natural localized molecular orbitals
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August 1985 |
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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September 1988 |
Analysis of the geometry of the hydroxymethyl radical by the “different hybrids for different spins” natural bond orbital procedure
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August 1988 |
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
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November 2004 |
Activity Descriptors for CO 2 Electroreduction to Methane on Transition-Metal Catalysts
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January 2012 |
First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)
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January 2009 |
The oxygen reduction reaction mechanism on Pt(111) from density functional theory calculations
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November 2010 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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May 1994 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Carbon-supported Pd-Co bimetallic nanoparticles as electrocatalysts for the oxygen reduction reaction
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May 2007 |
Reduction of carbon dioxide into carbon by freshly reduced CoFe2O4 nanoparticles
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September 2006 |
Fabrication of bimetallic Pt–M (M=Fe, Co, and Ni) nanoparticle/carbon nanotube electrocatalysts for direct methanol fuel cells
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March 2009 |