Reaction dynamics of H₂and D₂on Si(100) and Si(111)

Ideal hydrogen termination of the Si (111) surface

1990 • 1,377 citations

Structure analysis of Si(111)-7 × 7 reconstructed surface by transmission electron diffraction

1985 • 1,089 citations

Unusually Low Surface-Recombination Velocity on Silicon and Germanium Surfaces

1986 • 949 citations

Direct observation of an increase in buckled dimers on Si(001) at low temperature

1992 • 649 citations

Phonon Dispersion Relations in Insulators

1979 • 434 citations

Location of Energy Barriers. I. Effect on the Dynamics of Reactions A + BC

1969 • 390 citations

Hydrogen desorption from the monohydride phase on Si(100)

1990 • 366 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

New Mechanism for Hydrogen Desorption from Covalent Surfaces: The Monohydride Phase on Si(100)

1989 • 357 citations

Reactions at surfaces studied by ab initio dynamics calculations

1998 • 353 citations

Adsorption of atomic hydrogen on clean cleaved silicon (111)

1983 • 349 citations

New Ordered Structure for the H-Saturated Si(100) Surface: The (3×1) Phase

1985 • 337 citations

Surface Infrared Study of Si(100)-(2×1)H

1984 • 302 citations

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

1991 • 290 citations

Comparison of hydrogen desorption kinetics from Si(111)7 × 7 and Si(100)2 × 1

1991 • 279 citations

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

1992 • 266 citations

Self-consistent study of the electronic and structural properties of the clean Si(001)(2 × 1) surface

1992 • 249 citations

Quantentheorie chemischer Reaktionen

1963 • 186 citations

Inverse photoemission from semiconductors

1990 • 180 citations

Surface diffusion of hydrogen on Si(111)7×7

1991 • 168 citations

Effect of the cluster size in modeling the H2 desorption and dissociative adsorption on Si(001)

1999 • 164 citations

Adsorption states and adsorption kinetics of atomic hydrogen on silicon crystal surfaces

1985 • 160 citations

Temperature programmed desorption of molecular hydrogen from a Si(100)-2×1 surface: Theory and experiment

1993 • 158 citations

High-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 Cu(111)

1994 • 148 citations

Scanning tunneling microscopy study of the adsorption and recombinative desorption of hydrogen from the Si(100)-2×1 surface

1992 • 139 citations

π-bonded dimers, preferential pairing, and first-order desorption kinetics of hydrogen on Si(100)–(2×1)

1992 • 137 citations

Adsorption, Abstraction, and Pairing of Atomic Hydrogen on Si(100)-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mn>2</mml:mn><mml:mo>×</mml:mo><mml:mn>1</mml:mn><mml:mo>)</mml:mo></mml:math>

1995 • 131 citations

Desorption kinetics of hydrogen from the Si(111)7×7 surface

1991 • 131 citations

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

1991 • 129 citations

Six-Dimensional Quantum Dynamics of Dissociative Chemisorption of (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">v</mml:mi><mml:mspace /><mml:mo>=</mml:mo><mml:mspace /><mml:mn>0</mml:mn><mml:mn /></mml:math>,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">j</mml:mi><mml:mspace /><mml:mo>=</mml:mo><mml:mspace /><mml:mn>0</mml:mn><mml:mn /></mml:math>)<mml:math xmlns:mml="http://www.w3…

1997 • 128 citations

Quantum Solution of Collinear Reactive Systems: H+Cl2→HCl+Cl

1969 • 126 citations

First-Principles Electronic Structure Theory for Semi-infinite Semiconductors with Applications to Ge(001) (2×1) and Si(001) (2×1)

1986 • 115 citations

The role of parallel momentum in the dissociative adsorption of H2 at highly corrugated surfaces

1994 • 113 citations

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

1994 • 113 citations

Nonlinear optical investigations of the dynamics of hydrogen interaction with silicon surfaces

1996 • 112 citations

Investigation of the reliability of density functional methods: Reaction and activation energies for Si–Si bond cleavage and H2 elimination from silanes

1996 • 111 citations

Surface Core-Level Photoelectron Diffraction from Si Dimers at the Si(001)-(<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>2</mml:mn><mml:mo>×</mml:mo><mml:mn>1</mml:mn></mml:math>) Surface

1995 • 102 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

On the dynamics of the associative desorption of H2

1988 • 99 citations

Equilibrium surface hydrogen coverage during silicon epitaxy using SiH4

1990 • 96 citations

Photochemical Hydrogen Desorption from H-Terminated Silicon(111) by VUV Photons

1998 • 96 citations

Numerically stable solution of coupled channel equations: The local reflection matrix

1993 • 96 citations

Internal-state distribution of recombinative hydrogen desorption from Si(100)

1992 • 94 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

Ab initio H2 desorption pathways for H/Si(100): the role of SiH2(a)

1993 • 89 citations

Surface Vibrational Excitations on Si(001) 2 × 1

1984 • 88 citations

Theoretical study of the mechanism of recombinative hydrogen desorption from the monohydride phase of Si(100): The role of defect migration

1994 • 88 citations

Direct pathway for sticking/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>on Si(100)

1995 • 84 citations

Quantum effects in excitation spectra of desorbing hydrogen molecules

1989 • 82 citations

The role of lateral surface corrugation for the quantum dynamics of dissociative adsorption and associative desorption

1995 • 81 citations

Reaction dynamics of molecular hydrogen on silicon surfaces

1996 • 81 citations

Coverage- and temperature-dependent vibrational spectra of hydrogen chemisorbed on Si(100)2 × 1

1984 • 80 citations

Recombinative desorption of H2 on Si(100)-(2×1) and Si(111)-(7×7): Comparison of internal state distributions

1992 • 79 citations

Vibrationally assisted sticking, tunneling and isotope effect for hydrogen on Cu surfaces

1991 • 77 citations

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

1995 • 71 citations

DYNAMICS OF HYDROGEN INTERACTIONS WITH <font>Si(100)</font> AND <font>Si</font>(111) SURFACES

1995 • 71 citations

Binding Sites, Migration Paths, and Barriers for Hydrogen on Si(111)-(7<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>×</mml:mo></mml:math>7)

1995 • 71 citations

Theoretical studies of H2 desorption from Si(100)–2×1H

1993 • 69 citations

Adsorption of Hydrogen on Silicon

1959 • 69 citations

Interaction 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>with<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:mi>−</mml:mi><mml:mo>(</mml:mo><mml:mn>2</mml:mn><mml:mo>×</mml:mo><mml:mn>1</mml:mn><mml:mo>)</mml:mo></mml:math>: …

2000 • 68 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

Sticking, adsorption, and absorption of atomic H on Cu(110)

1993 • 66 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

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

1999 • 61 citations

Beam investigations of D2 adsorption on Si(100): On the importance of lattice excitations in the reaction dynamics

1994 • 58 citations

Coverage- and temperature-dependent vibrational spectra of hydrogen chemisorbed on Si(100)2X1

1984 • 57 citations

First-principles-derived rate constants for H adatom surface diffusion on Si(100)-2×1

1994 • 57 citations

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

1994 • 55 citations

Ultimate resolution electron energy loss spectroscopy at H/Si(100) surfaces

1998 • 55 citations

Internal-state distributions of H2 desorbed from mono- and dihydride species on Si(100)

1992 • 55 citations

Scanning Tunneling Microscopy of Clean Silicon Surfaces at Elevated Temperatures

1993 • 54 citations

Energetics of atomic hydrogen diffusion on Si(100)

1993 • 51 citations

Highly reactive dissociative adsorption of hydrogen molecules on partially H-covered Si(001) surfaces: A density-functional study

2000 • 51 citations

Pairing of hydrogen atoms on the Si(100)-(2×1) surface: The role of interactions among dimers

1994 • 50 citations

Ab initiostudies of H chemisorption on Si(100)

1992 • 49 citations

Barriers for hydrogen atom diffusion on the Si(100)-2×1 surface

1995 • 43 citations

Numerically stable solution of coupled-channel equations: the local transmission matrix

1994 • 42 citations

First principles calculation of prepairing mechanism for H2 desorption from Si(100)−2×1

1995 • 42 citations

Mechanism of H2 desorption from monohydride Si(100)2 × 1H

1993 • 41 citations

Equilibrium and nonequilibrium hydrogen coverages on vicinal Si(001) surfaces: Diffusion barriers and binding energies

1999 • 38 citations

Kinetics of hydrogen desorption on a Si(111) surface

1995 • 37 citations

Density-functional study of hydrogen chemisorption on vicinal Si(001) surfaces

1999 • 35 citations

Multiconfiguration self-consistent-field treatment of H2 desorption from Si(100)-2×1H

1995 • 34 citations

Pairing and clustering of hydrogen on Si(100)2×1: Monte Carlo studies

1993 • 33 citations

Angular distribution of D2 in thermal desorption from Si(100)

1993 • 33 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

Ab initio quantum dynamics of adsorption/desorption on a 3-D potential

1996 • 30 citations

D2 dissociative adsorption on and associative desorption from Si(100): Dynamic consequences of an ab initio potential energy surface

1996 • 28 citations

Ab initio explanation of the apparent violation of detailed balance for H2 adsorption/desorption from Si(100)

1996 • 26 citations

Influence of steps and defects on the dissociative adsorption of molecular hydrogen on silicon surfaces

1999 • 25 citations

Ab initio molecular dynamics of H2 desorption from Si(100)-2 × 1

1997 • 25 citations

Angular distribution of D2 desorbing from the monodeuteride phase on a Si(100) surface

1993 • 24 citations

Numerically stable solution of coupled channel equations: The wave function

1995 • 22 citations

Electronic structure of the Si(001)2 × 1:H surface and pathway for H2 desorption

1995 • 22 citations

Theoretical model for the dynamics of hydrogen recombination on the Si(100)-(2×1) surface

1992 • 21 citations

Investigations of the adsorption dynamics of D 2 on Si(100)

1995 • 21 citations

Hydrogen adsorption and desorption on silicon revisited

2000 • 19 citations

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

1997 • 17 citations

Adsorption–Desorption of H2/Si: A 5-D Dynamical Model

1997 • 15 citations

Diffusion of hydrogen atoms on a Si(111)-(7×7) reconstructed surface: Monte Carlo variational phase-space theory

1994 • 14 citations

Mechanistic Studies Of Chemical Vapor Deposition

1987 • 9 citations

Quantum Trajectories: Optimized Basis Functions for Coupled Channel Equations

1996 • 6 citations

Optimized basis functions for coupled channel calculations

2000 • 1 citations