Femtosecond laser induced desorption of H 2 , D 2 , and HD from Ru(0001): Dynamical promotion and suppression studied with ab initio molecular dynamics with electronic friction
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March 2017 |
Self-consistent screening of a proton in jellium
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September 1977 |
Energy loss and surface temperature effects in ab initio molecular dynamics simulations: N adsorption on Ag(111) as a case study
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August 2017 |
Special points for Brillouin-zone integrations
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June 1976 |
Femtosecond Desorption Dynamics Probed by Time-Resolved Velocity Measurements
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July 1995 |
Bonded-atom fragments for describing molecular charge densities
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January 1977 |
Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001)
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January 2011 |
Van der Waals Density Functional for General Geometries
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June 2004 |
Theory of photoinduced surface reactions of admolecules
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December 1999 |
A unified formulation of the constant temperature molecular dynamics methods
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July 1984 |
Role of Electron-Hole Pair Excitations in the Dissociative Adsorption of Diatomic Molecules on Metal Surfaces
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March 2008 |
Ultrafast Transient Dynamics of Adsorbates on Surfaces Deciphered: The Case of CO on Cu(100)
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January 2019 |
Femtosecond laser pulse induced desorption: A molecular dynamics simulation
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September 2016 |
Dependence of stretching frequency on surface coverage and adsorbate–adsorbate interactions: a density-functional theory approach of CO on Pd (111)
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April 1999 |
Reversible work transition state theory: application to dissociative adsorption of hydrogen
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February 1995 |
CO adsorption on Pd(111): a high-resolution core level photoemission and electron energy loss spectroscopy study
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December 2000 |
Comment on “Ultrafast Laser Excitation of C O / P t ( 111 ) Probed by Sum Frequency Generation: Coverage Dependent Desorption Efficiency”
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December 2004 |
Adsorption-state-dependent subpicosecond photoinduced desorption dynamics
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June 2007 |
Stochastic approach to laser-induced ultrafast dynamics: the desorption of H2/D2 from Ru(0001)
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January 2010 |
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 |
Quantum Dynamical Approach to Ultrafast Molecular Desorption from Surfaces
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December 2006 |
Adlayer structure dependent ultrafast desorption dynamics in carbon monoxide adsorbed on Pd (111)
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July 2016 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Ultra-fast dynamics of electron thermalization, cooling and transport effects in Ru(001)
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January 2004 |
Density functional theory with nonlocal correlation: A key to the solution of the CO adsorption puzzle
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January 2010 |
Temperature-dependent electron-mediated coupling in subpicosecond photoinduced desorption
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August 2007 |
The role of the 2π level in CO chemisorption on metal surfaces
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October 1986 |
Ab initio molecular dynamics with simultaneous electron and phonon excitations: Application to the relaxation of hot atoms and molecules on metal surfaces
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November 2015 |
Electronic Excitation and Dynamic Promotion of a Surface Reaction
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November 2003 |
Initial state effects in the inverse photoemission spectrum of CO/Pd(111)
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January 1988 |
Projector augmented-wave method
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December 1994 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Femtosecond-laser-driven molecular dynamics on surfaces: Photodesorption of molecular oxygen from Ag(110)
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January 2016 |
Femtosecond-laser induced dynamics of CO on Ru(0001): Deep insights from a hot-electron friction model including surface motion
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October 2016 |
Strong Influence of Coadsorbate Interaction on CO Desorption Dynamics on Ru(0001) Probed by Ultrafast X-Ray Spectroscopy and Ab Initio Simulations
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April 2015 |
Reversible Work Transiton State Theory: Application to Dissociative Adsorption of Hydrogen
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January 1994 |
Vibrational dynamics of adsorbed molecules under conditions of photodesorption: Pump-probe SFG spectra of CO/Pt(111)
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September 2004 |
Electron-hole pair effects in methane dissociative chemisorption on Ni(111)
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July 2016 |
Ultrafast Transient Dynamics of Adsorbates on Surfaces Deciphered: The Case of CO on Cu(100)
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January 2018 |
Electron thermalization in gold
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November 1992 |
Vibrational lifetimes of hydrogen on lead films: An ab initio molecular dynamics with electronic friction (AIMDEF) study
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December 2014 |
Desorption induced by multiple electronic transitions
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June 1992 |
Electron-Mediated Phonon-Phonon Coupling Drives the Vibrational Relaxation of CO on Cu(100)
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April 2018 |
Femtochemistry at Metal Surfaces: Nonadiabatic Reaction Dynamics
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October 2006 |
Desorption of CO from Ru(001) induced by near-infrared femtosecond laser pulses
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June 2000 |
Density functional calculation of stopping power of an electron gas for slow ions
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March 1981 |
High-resolution X-ray luminescence extension imaging
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February 2021 |
Dynamics of nonthermal reactions: femtosecond surface chemistry
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January 1993 |
Femtosecond-Laser Desorption of H 2 (D 2 ) from Ru(0001): Quantum and Classical Approaches
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April 2009 |
Ordered structures of CO on Pd(111) studied by STM
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June 2002 |
Quantum Dynamical Approach to Ultrafast Molecular Desorption from Surfaces
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October 2006 |
Femtosecond laser driven molecular dynamics on surfaces: Photodesorption of molecular oxygen from Ag(110)
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January 2015 |
CO adsorption on Pd(111): the effects of temperature and pressure
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August 1992 |
High-precision sampling for Brillouin-zone integration in metals
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August 1989 |
Energy loss in gas-surface dynamics: Electron–hole pair and phonon excitation upon adsorbate relaxation
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September 2016 |
Femtosecond time-resolved measurement of desorption
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June 1991 |
Role of multiple scattering within inverse-photoemission studies of unoccupied molecular adsorbate levels
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October 1984 |
Inverse-photoemission studies of adsorbed diatomic molecules
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June 1987 |
Electronic Friction-Based Vibrational Lifetimes of Molecular Adsorbates: Beyond the Independent-Atom Approximation
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July 2015 |
Disentangling Multidimensional Nonequilibrium Dynamics of Adsorbates: CO Desorption from Cu(100)
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October 2016 |
Desorption of polyatomic molecules from the Pt(111) surface by femtosecond laser radiation
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November 2001 |
Simulations of femtosecond laser-induced desorption of CO from Cu(100)
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January 1994 |
LEED intensity analysis of the surface structures of Pd(111) and of CO adsorbed on Pd(111) in a (√3×√3)R30° arrangement
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September 1987 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Electronic Friction Dominates Hydrogen Hot-Atom Relaxation on Pd(100)
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March 2014 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Adsorbate Specificity in Hot Electron Driven Photochemistry on Catalytic Metal Surfaces
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November 2014 |
Amorphization-induced surface electronic states modulation of cobaltous oxide nanosheets for lithium-sulfur batteries
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May 2021 |
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
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May 2021 |
Origin of site preference of CO and NO adsorption on Pd(111) at different coverages: A density functional theory study
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January 2013 |
Anomalous Behavior of the Lattice Vibrations and the Electronic Specific Heat of Palladium
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April 1968 |
Canonical dynamics: Equilibrium phase-space distributions
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March 1985 |
CO Stretch Vibration Lives Long on Au(111)
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February 2019 |
The role of the 2π level in CO chemisorption on metal surfaces
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October 1986 |
Phonon- Versus Electron-Mediated Desorption and Oxidation of CO on Ru(0001)
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August 1999 |
Simulations of the femtosecond laser-induced desorption of CO from Cu(100) at 0.5 ML coverage
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April 1996 |
Leed intensity analysis of the surface structures of Pd(111) and of CO adsorbed on Pd(111) in a (√3 × √3)R30° arrangement
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September 1987 |
A photoelectron diffraction study of ordered structures in the chemisorption system Pd{111}-CO
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May 1998 |
Non-adiabatic effects in elementary reaction processes at metal surfaces
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December 2017 |
Computational exploration of copper catalyzed vinylogous aerobic oxidation of unsaturated compounds
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January 2021 |
Surface electron density models for accurate ab initio molecular dynamics with electronic friction
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June 2016 |