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

Density-functional exchange-energy approximation with correct asymptotic behavior

1988 • 50,231 citations

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1986 • 17,918 citations

Unified Approach for Molecular Dynamics and Density-Functional Theory

1985 • 10,277 citations

Hydrogen desorption from the monohydride phase on Si(100)

1990 • 366 citations

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

1989 • 357 citations

Structure of Si(100)H: Dependence on the H chemical potential

1991 • 299 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

Role of nonlocal exchange correlation in activated adsorption

1993 • 175 citations

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

1993 • 158 citations

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

1992 • 139 citations

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

1994 • 113 citations

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

1992 • 94 citations

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

1993 • 89 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

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

1994 • 64 citations

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

1994 • 58 citations

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

1994 • 57 citations

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

1992 • 55 citations

The effect of germanium on the desorption of hydrogen from Si(100)

1993 • 54 citations

Anisotropic diffusion of hydrogen atoms on the Si(100)-2×1 surface

1992 • 52 citations

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

1994 • 50 citations

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

1993 • 41 citations

Theoretical study of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">SiH</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>-defect stability and formation on the H-saturated Si(100)1×1 surface

1992 • 29 citations

The photo-induced reaction of disilane with the Si(100) and Si(100)(2 × 1):D surfaces

1993 • 21 citations

Pathway 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>desorption from dihydride Si(100)

1993 • 16 citations

Comment on ‘‘Temperature programmed desorption of molecular hydrogen from a Si(100)-2×1 surface: Theory and experiment’’ [J. Chem. Phys. 99, 7038 (1993)]

1994 • 15 citations

The Zeno line and the radial distribution function at contact

1992 • 10 citations