Atomic hydrogen-driven halogen extraction from silicon(100): Eley-Rideal surface kinetics

Cheng, Chih‐Chia; Lucas, S. R.; Gutleben, H.; Choyke, W. J.; Yates, John T.

doi:10.1021/ja00030a020

Cited by 114 publications

(53 citation statements)

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“…16 If a barrier to Hg oxidation exists, then the reaction pathway likely proceeds via a Langmuir-Hinshelwood mechanism. Previous investigations have shown that in the case of radical hydrogen (H) interactions with halogenated surfaces (gold 17,18 and Si 19 ), the mechanism proceeds via an Eley-Rideal mechanism. Because Hg 0 is not expected to be in radical form at the temperature and pressure conditions of the work presented here, it is the authors' hypothesis that Hg oxidation proceeds via a Langmuir-Hinshelwood mechanism.…”

Section: Overviewmentioning

confidence: 99%

Heterogeneous Mercury Reaction Chemistry on Activated Carbon

Wilcox

Sasmaz

Kirchofer

et al. 2011

Journal of the Air & Waste Management Association

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Experimental and theory-based investigations have been carried out on the oxidation and adsorption mechanism of mercury (Hg) on brominated activated carbon (AC). Air containing parts per billion concentrations of Hg was passed over a packed-bed reactor with varying sorbent materials at 140 and 30°C. Through X-ray photoelectron spectroscopy surface characterization studies it was found that Hg adsorption is primarily associated with bromine (Br) on the surface, but that it may be possible for surfacebound oxygen (O) to play a role in determining the stability of adsorbed Hg. In addition to surface characterization experiments, the interaction of Hg with brominated AC was studied using plane-wave density functional theory. Various configurations of hydrogen, O, Br, and Hg on the zigzag edge sites of graphene were investigated, and although Hg-Br complexes were found to be stable on the surface, the most stable configurations found were those with Hg adjacent to O. The Hg-carbon (C) bond length ranged from 2.26 to 2.34 Å and is approximately 0.1 Å shorter when O is a nearest-neighbor atom rather than a next-nearest neighbor, resulting in increased stability of the given configuration and overall tighter Hg-C binding. Through a density of states analysis, Hg was found to gain electron density in the six p-states after adsorption and was found to donate electron density from the five s-states, thereby leading to an oxidized surface-bound Hg complex.

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Section: Overviewmentioning

confidence: 99%

Heterogeneous Mercury Reaction Chemistry on Activated Carbon

Wilcox

Sasmaz

Kirchofer

et al. 2011

Journal of the Air & Waste Management Association

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“…Investigations of surface reactions using gas phase hydrogen atoms as one of the reactants have been carried out on S1(100) recently. We have shown, in a previous paper [11], that abstraction of halogen adsorbates from the $1(100) surface can be efficiently Induced by the use of incident atomic hydrogen from the gas phase producing the hydrogen halides by an Eley-Rideal process. The experiments showed that thermal activation of the solid surface is of minor Importance for the removal of halogen by atomic hydrogen.…”

Section: Predictions Of the Gaseous Compositionmentioning

confidence: 99%

Interaction of atomic hydrogen with the surface methyl group on Si(100) — removal of surface carbon

et al. 1992

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“…In this reaction, the difference between the exothermicity of the gas-phase reaction and the heat of chemisorption is significant, and the activation energy is known to be very low (≈ 2 kcal/mol). [16][17][18] These characteristics coupled with the unusual kinematics associated with the reaction of a light atom with a heavy adatomsurface system dominate the ER dynamics of this reaction. We will use a modified version of the London-EyringPolanyi-Sato (LEPS) procedure, which includes additional energy terms that result from the participation of adjacent surface sites in the hydrogen-to-surface interaction, 10 for the potential energy surface and use it in the molecular time scale generalized Langevin equation (MTGLE), which is designed to describe the combined motions of reaction-zone atoms and surface atoms.…”

Section: -15mentioning

confidence: 99%

Interaction of Gas-phase Atomic Hydrogen with Chemisorbed Oxygen Atoms on a Silicon Surface

Lee¹,

Ree

Kim³

et al. 2011

Bulletin of the Korean Chemical Society

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The reaction of gas-phase atomic hydrogen with oxygen atoms chemisorbed on a silicon surface is studied by use of the classical trajectory approach. We have calculated the probability of the OH formation and energy deposit of the reaction exothermicity in the newly formed OH in the gas-surface reaction H(g) + O(ad)/Si → OH(g) + Si. All reactive events occur in a single impact collision on a subpicosecond scale, following the EleyRideal mechanism. These events occur in a localized region around the adatom site on the surface. The reaction probability is dependent upon the gas temperature and shows the maximum near 1000 K, but it is essentially independent of the surface temperature. The reaction probability is also independent upon the initial excitation of the O-Si vibration. The reaction energy available for the product state is carried away by the desorbing OH in its translational and vibrational motions. When the initial excitation of the O-Si vibration increases, translational and vibrational energies of OH rise accordingly, while the energy shared by rotational motion varies only slightly. Flow of energy between the reaction zone and the solid has been incorporated in trajectory calculations, but the amount of energy propagated into the solid is only a few percent of the available energy released in the OH formation.

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Atomic hydrogen-driven halogen extraction from silicon(100): Eley-Rideal surface kinetics

Cited by 114 publications

References 0 publications

Heterogeneous Mercury Reaction Chemistry on Activated Carbon

Heterogeneous Mercury Reaction Chemistry on Activated Carbon

Interaction of atomic hydrogen with the surface methyl group on Si(100) — removal of surface carbon

Interaction of Gas-phase Atomic Hydrogen with Chemisorbed Oxygen Atoms on a Silicon Surface

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