Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D2 Reacting on Cu(111)

Nattino, Francesco; Díaz, Cristina; Jackson, Bret; Kroes, Geert-Jan

doi:10.1103/PhysRevLett.108.236104

Title: Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D₂ Reacting on Cu(111)

Authors:: Nattino, Francesco; Díaz, Cristina; Jackson, Bret; Kroes, Geert-Jan

Publication Date:: Fri Jun 08 00:00:00 EDT 2012

Sponsoring Org.:: USDOE

OSTI Identifier:: 1103520

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 108 Journal Issue: 23; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Nattino, Francesco, Díaz, Cristina, Jackson, Bret, and Kroes, Geert-Jan. Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D2 Reacting on Cu(111).  United States: N. p., 2012. 
Web.  doi:10.1103/PhysRevLett.108.236104.

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                    Nattino, Francesco, Díaz, Cristina, Jackson, Bret, & Kroes, Geert-Jan. Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D2 Reacting on Cu(111).  United States.  https://doi.org/10.1103/PhysRevLett.108.236104

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                    Nattino, Francesco, Díaz, Cristina, Jackson, Bret, and Kroes, Geert-Jan. Fri .  
"Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D2 Reacting on Cu(111)".  United States.  https://doi.org/10.1103/PhysRevLett.108.236104.

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@article{osti_1103520,

  title        = {Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D2 Reacting on Cu(111)},

  author       = {Nattino, Francesco and Díaz, Cristina and Jackson, Bret and Kroes, Geert-Jan},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.108.236104},

  journal      = {Physical Review Letters},

  number       = 23,

  volume       = 108,

  place        = {United States},

  year         = {Fri Jun 08 00:00:00 EDT 2012},

  month        = {Fri Jun 08 00:00:00 EDT 2012}

}

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Title: Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D2 Reacting on Cu(111)

Citation Formats

Direct Dynamics for Free Radical Kinetics in Solution: Solvent Effect on the Rate Constant for the Reaction of Methanol with Atomic Hydrogen journal, June 1999

Effect of rotation on the translational and vibrational energy dependence of the dissociative adsorption of D 2 on Cu(111) journal, May 1993

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

From quantum-state-specific dynamics to reaction rates: the dominant role of translational energy in promoting the dissociation of D2 on Cu(111) under equilibrium conditions journal, January 1993

Absolute linear thermal‐expansion measurements on copper and aluminum from 5 to 320 K journal, March 1977

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Mechanism of the Poisoning Action Of Sulfur on Catalytically Active Pd(100) journal, November 2001

Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111) journal, November 2009

Surface oscillator models for dissociative sticking of molecular hydrogen at non-rigid surfaces journal, February 1997

The Stereodynamics of a Gas-Surface Reaction journal, July 1997

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics journal, December 2011

Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu(111) using a chemically accurate potential energy surface journal, January 2010

Trapping, Molecular Adsorption, and Precursors for Nonactivated Chemisorption journal, December 2004

Surface temperature effects in dynamic trapping mediated adsorption of light molecules on metal surfaces: H 2 on Pd(111) and Pd(110) journal, September 2005

The surface temperature dependence of the inelastic scattering and dissociation of hydrogen molecules from metal surfaces journal, February 2004

Hydrogen dissociation on Cu(111): the influence of lattice motion. Part I journal, January 2011

Simulation of the surface reaction of D2 on a sulfur covered Pd(100) surface journal, January 2001

Rotational quantum dynamics in a non-activated adsorption system journal, January 2002

Ab initiomolecular dynamics for liquid metals journal, January 1993

Adsorption and desorption dynamics of H2 and D2 on Cu(111): The role of surface temperature and evidence for corrugation of the dissociation barrier journal, March 1998

Reactive and Nonreactive Scattering of H2 from a Metal Surface Is Electronically Adiabatic journal, April 2006

Test of Approximations to Surface Motion in Gas−Surface Dynamics: Linear versus Quadratic Coupling for Ts = 0 K journal, July 2002

Concepts of Modern Catalysis and Kinetics book, October 2003

Dissociative adsorption of hydrogen on strained Cu surfaces journal, February 2003

Steric Effects in the Chemisorption of Vibrationally Excited Methane on Ni(100) journal, July 2010

Hydrogen Dissociation Dynamics on Precovered Pd Surfaces: Langmuir is Still Right journal, May 2007

Medium-energy ion-scattering study of the temperature dependence of the structure of Cu(111) journal, November 1996

Molecular knife throwing: aiming for dissociation at specific surface sites through state-selection journal, October 2000

Title: Effect of Surface Motion on the Rotational Quadrupole Alignment Parameter of D₂ Reacting on Cu(111)

Direct Dynamics for Free Radical Kinetics in Solution: Solvent Effect on the Rate Constant for the Reaction of Methanol with Atomic Hydrogen
journal, June 1999

Effect of rotation on the translational and vibrational energy dependence of the dissociative adsorption of D ₂ on Cu(111)
journal, May 1993

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

From quantum-state-specific dynamics to reaction rates: the dominant role of translational energy in promoting the dissociation of D2 on Cu(111) under equilibrium conditions
journal, January 1993

Absolute linear thermal‐expansion measurements on copper and aluminum from 5 to 320 K
journal, March 1977

Electronic factors determining the reactivity of metal surfaces
journal, December 1995

Mechanism of the Poisoning Action Of Sulfur on Catalytically Active Pd(100)
journal, November 2001

Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111)
journal, November 2009

Surface oscillator models for dissociative sticking of molecular hydrogen at non-rigid surfaces
journal, February 1997

The Stereodynamics of a Gas-Surface Reaction
journal, July 1997

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics
journal, December 2011

Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu(111) using a chemically accurate potential energy surface
journal, January 2010

Trapping, Molecular Adsorption, and Precursors for Nonactivated Chemisorption
journal, December 2004

Surface temperature effects in dynamic trapping mediated adsorption of light molecules on metal surfaces: $H_{2}$ on Pd(111) and Pd(110)
journal, September 2005

The surface temperature dependence of the inelastic scattering and dissociation of hydrogen molecules from metal surfaces
journal, February 2004

Hydrogen dissociation on Cu(111): the influence of lattice motion. Part I
journal, January 2011

Simulation of the surface reaction of D2 on a sulfur covered Pd(100) surface
journal, January 2001

Rotational quantum dynamics in a non-activated adsorption system
journal, January 2002

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journal, January 1993

Adsorption and desorption dynamics of H2 and D2 on Cu(111): The role of surface temperature and evidence for corrugation of the dissociation barrier
journal, March 1998

Reactive and Nonreactive Scattering of H2 from a Metal Surface Is Electronically Adiabatic
journal, April 2006

Test of Approximations to Surface Motion in Gas−Surface Dynamics: Linear versus Quadratic Coupling for T_s = 0 K
journal, July 2002

Concepts of Modern Catalysis and Kinetics
book, October 2003

Dissociative adsorption of hydrogen on strained Cu surfaces
journal, February 2003

Steric Effects in the Chemisorption of Vibrationally Excited Methane on Ni(100)
journal, July 2010

Hydrogen Dissociation Dynamics on Precovered Pd Surfaces: Langmuir is Still Right
journal, May 2007

Medium-energy ion-scattering study of the temperature dependence of the structure of Cu(111)
journal, November 1996

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journal, October 2000