Adsorption and desorption of CO on Ru(0001): A comprehensive analysis
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journal
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December 2005 |
Adsorption and desorption of CO on Pt(111): a comprehensive analysis
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November 2003 |
A review of theoretical models of adsorption, diffusion, desorption, and reaction of gases on metal surfaces
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July 1991 |
Phase diagrams and critical behavior in Ising square lattices with nearest- and next-nearest-neighbor interactions
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March 1980 |
Isosteric heat of adsorption for repulsive interactions
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December 1991 |
Rare-gas thermal desorption from flat and stepped platinum surfaces: Lateral interactions and the influence of dimensionality
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February 1998 |
Multilayer adsorption and desorption: Au and Cu on Mo(110)
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January 1996 |
First-principles reaction site model for coverage-sensitive surface reactions: Pt(111)–O temperature programmed desorption
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April 2014 |
Electric field induced oscillations in the catalytic water production on rhodium: A theoretical analysis
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August 2010 |
Anisole and Guaiacol Hydrodeoxygenation over Monolithic Pt–Sn Catalysts
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September 2011 |
Adsorption of cyclohexane and benzene on ordered tin/platinum (111) surface alloys
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January 1994 |
A BPTDS and HREELS study of the interaction of cyclohexane with the platinum (111) surface
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July 1992 |
Effect of potassium addition on bimetallic PtSn supported θ-Al2O3 catalyst for n-butane dehydrogenation to olefins
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September 2014 |
Effect of tin and potassium addition on the nature of platinum supported on silica
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March 2005 |
Production of ethanol by gas phase hydrogenation of acetic acid over carbon nanotube-supported Pt–Sn nanoparticles
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October 2013 |
Effect of Sn Addition in Gas Phase Hydrogenation of Acetic Acid on Alumina Supported PtSn Catalysts
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February 2014 |
On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces
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November 2013 |
Coverage-Induced Conformational Effects on Activity and Selectivity: Hydrogenation and Decarbonylation of Furfural on Pd(111)
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November 2014 |
DFT-Based Coverage-Dependent Model of Pt-Catalyzed NO Oxidation
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August 2010 |
DFT-Based Characterization of the Multiple Adsorption Modes of Nitrogen Oxides on Pt(111)
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January 2007 |
Steps or Terraces? Dynamics of Aromatic Hydrocarbons Adsorbed at Vicinal Metal Surfaces
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August 2015 |
The Brønsted–Evans–Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts
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January 2001 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Projector augmented-wave method
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December 1994 |
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces
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February 2014 |
Trends in Adsorption Characteristics of Benzene on Transition Metal Surfaces: Role of Surface Chemistry and van der Waals Interactions
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September 2013 |
DFT-Based Method for More Accurate Adsorption Energies: An Adaptive Sum of Energies from RPBE and vdW Density Functionals
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February 2017 |
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
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September 2012 |
How low can you go? Minimum energy pathways for O2 dissociation on Pt(111)
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January 2012 |
Integrated X-ray photoelectron spectroscopy and DFT characterization of benzene adsorption on Pt(111), Pt(355) and Pt(322) surfaces
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January 2013 |
Tailoring the Adsorption of Benzene on PdFe Surfaces: A Density Functional Theory Study
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November 2013 |
Adsorption of benzene on ordered Sn/Pt(111) surface alloys
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June 2002 |
Probing ensemble effects in surface reactions. 2. Benzene adsorption on clean and bismuth-covered platinum(111)
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January 1989 |
High-precision sampling for Brillouin-zone integration in metals
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August 1989 |
Phenol near Ni(111), Ni(110), and Ni(221) surfaces in a vertical ring geometry: A density functional study of the oxygen-surface bonding and O-H cleavage
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March 2007 |
Relating the coverage dependence of oxygen adsorption on Au and Pt fcc(111) surfaces through adsorbate-induced surface electronic structure effects
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March 2009 |
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
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October 2011 |
Theory of dissociative and nondissociative adsorption and desorption
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April 1999 |
Adsorption, mobility, and dimerization of benzaldehyde on Pt(111)
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May 2012 |
Calorimetric Measurement of the Heat of Adsorption of Benzene on Pt(111) †
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September 2004 |
Thermodynamics and kinetics of CO and benzene adsorption on Pt(111) studied with pulsed molecular beams and microcalorimetry
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November 2010 |
CO oxidation on electrically charged gold nanotips
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December 2006 |
Hindered Translator and Hindered Rotor Models for Adsorbates: Partition Functions and Entropies
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April 2016 |
Femtomole Adsorption Calorimetry on Single-Crystal Surfaces
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April 1998 |
Density Functional Study of Benzene Adsorption on Pt(111)
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August 2002 |
A diffuse LEED study of the adsorption structure of disordered benzene on Pt(111)
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June 1991 |
Site dependence of the apparent shape of a molecule in scanning tunneling micoscope images: Benzene on Pt{111}
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November 1993 |
Influence of Dipole–Dipole Interactions on Coverage-Dependent Adsorption: CO and NO on Pt(111)
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May 2012 |
Adsorption of aromatics on the (111) surface of PtM and PtM 3 (M = Fe, Ni) alloys
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January 2015 |
Chemisorption of Benzene on Pt(111), Pd(111), and Rh(111) Metal Surfaces: A Structural and Vibrational Comparison from First Principles
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May 2004 |
Intermediates in the hydrogenation of benzene to cyclohexene on Pt(111) and Pd(111): A comparison from DFT calculations
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March 2006 |
Electronic factors determining the reactivity of metal surfaces
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December 1995 |
Correlations in coverage-dependent atomic adsorption energies on Pd(111)
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May 2009 |
Density functional theory in surface chemistry and catalysis
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January 2011 |
Thermal desorption kinetics
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March 1992 |
The analysis of temperature programmed desorption experiments of systems with lateral interactions; implications of the compensation effect
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December 2003 |
Interaction between Coronene and Graphite from Temperature-Programmed Desorption and DFT-vdW Calculations: Importance of Entropic Effects and Insights into Graphite Interlayer Binding
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June 2013 |
Thermal Desorption of Large Molecules from Solid Surfaces
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October 2002 |
Desorption energies of linear and cyclic alkanes on surfaces: anomalous scaling with length
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April 2004 |
Decomposition Mechanism of Anisole on Pt(111): Combining Single-Crystal Experiments and First-Principles Calculations
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November 2016 |
Identifying the Thermal Decomposition Mechanism of Guaiacol on Pt(111): An Integrated X-ray Photoelectron Spectroscopy and Density Functional Theory Study
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January 2018 |
Probing ensemble effects in surface reactions. 1. Site-size requirements for the dehydrogenation of cyclic hydrocarbons on platinum(111) revealed by bismuth site blocking
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January 1989 |
Density Functional Theory Analysis of Benzene (De)hydrogenation on Pt(111): Addition and Removal of the First Two H-Atoms
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April 2003 |
A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals
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October 2015 |