Influence of Subsurface Defects on the Surface Reactivity of TiO 2 : Water on Anatase (101)
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December 2009 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Density-functional calculation of effective Coulomb interactions in metals
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April 1991 |
Projector augmented-wave method
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December 1994 |
Effects of subnanometer silver clusters on the AgBr(110) photocatalyst surface: a theoretical investigation
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January 2015 |
A surface science perspective on TiO2 photocatalysis
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June 2011 |
The effect of the morphology of supported subnanometer Pt clusters on the first and key step of CO 2 photoreduction
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January 2015 |
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
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October 2011 |
Role of Four-Fold Coordinated Titanium and Quantum Confinement in CO 2 Reduction at Titania Surface
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December 2012 |
Size-Selective Reactivity of Subnanometer Ag 4 and Ag 16 Clusters on a TiO 2 Surface
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March 2017 |
The electronic structure effect in heterogeneous catalysis
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April 2005 |
Effect of TiO2 support on the structural and electronic properties of PdmAgn clusters: a first-principles study
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January 2012 |
Single-atom catalysis of CO oxidation using Pt1/FeOx
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July 2011 |
A Theoretical Study of CO 2 Anions on Anatase (101) Surface
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November 2010 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Computational screening of dopants for photocatalytic two-electron reduction of CO2 on anatase (101) surfaces
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January 2012 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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December 2000 |
Directly converting CO2 into a gasoline fuel
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May 2017 |
Carbon dioxide activation and dissociation on ceria (110): A density functional theory study
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January 2013 |
Morphological effects of Au 13 clusters on the adsorption of CO 2 over anatase TiO 2 (101)
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March 2017 |
Anatase shows its reactive side
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August 2008 |
Magic Number Pt 13 and Misshapen Pt 12 Clusters: Which One is the Better Catalyst?
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August 2013 |
Photocatalytic Process for CO 2 Emission Reduction from Industrial Flue Gas Streams
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April 2006 |
Interplay between Subnanometer Ag and Pt Clusters and Anatase TiO 2 (101) Surface: Implications for Catalysis and Photocatalysis
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February 2014 |
Surface Phases of TiO 2 Nanoparticles Studied by UV Raman Spectroscopy and FT-IR Spectroscopy
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April 2008 |
Increased Silver Activity for Direct Propylene Epoxidation via Subnanometer Size Effects
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April 2010 |
Adsorption CO2 on the perfect and oxygen vacancy defect surfaces of anatase TiO2 and its photocatalytic mechanism of conversion to CO
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October 2011 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Infrared Spectroscopic Study of the Photoinduced Activation of CO2 on TiO2 and Rh/TiO2 Catalysts
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July 1994 |
Charging Effects on Bonding and Catalyzed Oxidation of CO on Au8 Clusters on MgO
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January 2005 |
Activation of CO 2 by supported Cu clusters
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January 2017 |
Special points for Brillouin-zone integrations
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June 1976 |
Morphological Effects of Gold Clusters on the Reactivity of Ceria Surface Oxygen
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March 2015 |
CO 2 Adsorption on Anatase TiO 2 (101) Surfaces in the Presence of Subnanometer Ag/Pt Clusters: Implications for CO 2 Photoreduction
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November 2014 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
CO 2 adsorption on TiO 2 (101) anatase: A dispersion-corrected density functional theory study
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September 2011 |
Adsorption of Pt and Bimetallic PtAu Clusters on the Partially Reduced Rutile (110) TiO 2 Surface: A First-Principles Study
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February 2012 |
Optimization methods for finding minimum energy paths
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April 2008 |
Photocatalytic Reduction of CO 2 on TiO 2 and Other Semiconductors
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June 2013 |
Photoinduced activation of CO2 on Ti-based heterogeneous catalysts: Current state, chemical physics-based insights and outlook
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January 2009 |
Toward Solar Fuels: Photocatalytic Conversion of Carbon Dioxide to Hydrocarbons
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February 2010 |
CO 2 adsorption on anatase TiO 2 (101) surfaces: a combination of UHV-FTIRS and first-principles studies
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January 2017 |
Improved grid-based algorithm for Bader charge allocation
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January 2007 |
Towards the computational design of solid catalysts
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April 2009 |
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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December 2000 |
CO 2 Capture by TiO 2 Anatase Surfaces: A Combined DFT and FTIR Study
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October 2014 |
Quantum Chemical Modeling of Ground States of CO 2 Chemisorbed on Anatase (001), (101), and (010) TiO 2 Surfaces
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July 2008 |
Structural, Electronic, and Impurity-Doping Effects in Nanoscale Chemistry: Supported Gold Nanoclusters
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March 2003 |
First principles theoretical study of the hole-assisted conversion of CO to CO 2 on the anatase TiO 2 (101) surface
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March 2011 |
Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane
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February 2009 |
A theoretical study of CO2 adsorption on TiO2
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November 1996 |
A Density Functional Theory and Experimental Study of CO 2 Interaction with Brookite TiO 2
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September 2012 |
Plasmonic-metal nanostructures for efficient conversion of solar to chemical energy
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November 2011 |
Strong metal-support interactions
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November 1987 |
Structural, Electronic, and Impurity-Doping Effects in Nanoscale Chemistry: Supported Gold Nanoclusters.
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May 2003 |
High-resolution X-ray luminescence extension imaging
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February 2021 |
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
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February 2020 |
Lead palladium titanate: A room temperature nanoscale multiferroic thin film
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February 2020 |