Adsorption and abstraction reactions of HCl on a single Si(100) dangling bond

Article

关键词: SCANNING-TUNNELING-MICROSCOPY;    FLUORINE ATOM ABSTRACTION;    AUGMENTED-WAVE METHOD;    HALOGEN CHEMISORPTION;    SILICON SURFACES;    CHLORINE;    DISSOCIATION;    MECHANISM;    HYDROGEN;    DEFECTS;   

DOI  :  10.1103/PhysRevB.83.075403

来源: SCIE

【 摘 要 】

On a Si(100)-(2x1) surface with abundant dangling bonds, reaction of HCl molecules at room temperature is dominated by exothermic dissociative adsorption of H and Cl on two adjacent dangling bonds. This coadsorption reaction is blocked for an isolated dangling bond, yet surprisingly endothermic H or Cl abstractive adsorption occurs, as observed by in situ scanning tunneling microscopy. On an isolated dimer dangling bond (DB) pair, coadsorption of H and Cl is common as expected, but adsorption of a pair of abstracted Cl or H from two HCl molecules also occurs. These results, complemented by theoretical calculations, indicate that dissociative adsorption and abstractive reaction of a multiatom gas molecule can be initiated at a single DB by forming an intermediate adsorption state.

【 授权许可】

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