Structure Sensitive Reaction Channels of Molecular Hydrogen on Silicon Surfaces

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

1992 • 20,307 citations

Why gold is the noblest of all the metals

1995 • 3,288 citations

Design of a Surface Alloy Catalyst for Steam Reforming

1998 • 1,022 citations

High-pressure Raman scattering of the stretching mode in nitrogen along the 300-K isotherm

1996 • 476 citations

Six-Dimensional Quantum Dynamics of Adsorption and Desorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>at Pd(100): Steering and Steric Effects

1995 • 366 citations

Evidence of pairing and its role in the recombinative desorption of hydrogen from the Si(100)-2×1 surface

1991 • 290 citations

Atom-resolved surface chemistry studied by scanning tunneling microscopy and spectroscopy

1989 • 285 citations

Desorption of hydrogen from Si(100)2×1 at low coverages: The influence of π-bonded dimers on the kinetics

1992 • 266 citations

Role of vibrational and translational energy in the activated dissociative adsorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">D</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on Cu(111)

1992 • 241 citations

Adsorption of hydrogen atoms on the Si(100)-2×1 surface: implications for the H2 desorption mechanism

1991 • 129 citations

Hydrogen adsorption on and desorption from Si: Considerations on the applicability of detailed balance

1994 • 113 citations

Highly Site-Specific<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Adsorption on Vicinal<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>Si</mml:mi><mml:mo>(</mml:mo><mml:mn>001</mml:mn><mml:mo>)</mml:mo></mml:math>Surfaces

1998 • 100 citations

Phonon-Assisted Sticking of Molecular Hydrogen on Si(111)-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mn>7</mml:mn><mml:mo>×</mml:mo><mml:mn>7</mml:mn><mml:mo>)</mml:mo></mml:math>

1995 • 94 citations

Theory of Adsorption and Desorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>/Si(001)

1995 • 93 citations

Density functional theory study of radical hydrogen abstraction with hydrogen and hydroxyl radicals

1996 • 92 citations

Enhanced Reactivity of Highly Vibrationally Excited Molecules on Metal Surfaces

1999 • 82 citations

Survival Probability of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mi /><mml:mo>(</mml:mo><mml:mi mathvariant="italic">v</mml:mi><mml:mspace /><mml:mo>=</mml:mo><mml:mspace /><mml:mn>1</mml:mn><mml:mo>,</mml:mo><mml:mi /><mml:mi mathvariant="italic">J</mml:mi><mml:mspace /><mml:mo>=</mml:mo><mml:mspace /><mml:mn>1</mml:mn><mml:mn /><mml:mo…

1995 • 73 citations

Density functional study of H2 desorption from monohydride and dihydride Si(100) surfaces

1995 • 71 citations

Optical second-harmonic investigations of H2 and D2 adsorption on Si (100) 2 × 1: the surface temperature dependence of the sticking coefficient

1996 • 68 citations

Dissociative Adsorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on Si(100) Induced by Atomic H

1999 • 67 citations

Ab InitioMolecular Dynamics Study of the Desorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>D</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>from Si(100)

1997 • 66 citations

The coupling between adsorption dynamics and the surface structure: H2 on Si(100)

1994 • 64 citations

Dangling Bond Dynamics on the Silicon (100)-2×1 Surface: Dissociation, Diffusion, and Recombination

1998 • 61 citations

Effect of beam energy and surface temperature on the dissociative adsorption of H2 on Si(001)

1999 • 61 citations

Detailed balance and phonon assisted sticking in adsorption and desorption of H2/Si

1994 • 55 citations

Dimer Preparation That Mimics the Transition State for the Adsorption of H ₂ on the Si(100)-2 × 1 Surface

2000 • 44 citations

Innovative computing and detailed properties of elementary reactions using time independent approaches

1999 • 37 citations

Theory of Adsorption and Desorption of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>Molecules on the Si(111)-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mn>7</mml:mn><mml:mo>×</mml:mo><mml:mn>7</mml:mn><mml:mo>)</mml:mo></mml:math>surface

1997 • 31 citations

H2 adsorption/desorption at Si(111)-(7 × 7): a density functional study

1997 • 17 citations