Function of subsurface boron on Si(0 0 1)-2 × 1: Water adsorption

Yun Wang, Gyeong S. Hwang

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6 Scopus citations


Using density functional theory calculations we investigate the function of subsurface boron in determining surface properties of Si(0 0 1). To demonstrate its effect on surface reactivity we compare the behaviors of water adsorption on the clean and B-modified surfaces. We find that subsurface boron brings about a significant change in surface chemical properties by altering charge polarization of Si(0 0 1) locally. As a consequence, water adsorption on the B-modified surface shows a distinctively different feature from that on the clean surface.

Original languageEnglish
Pages (from-to)L882-L886
JournalSurface Science
Issue number3
StatePublished - 20 Dec 2003

Bibliographical note

Funding Information:
The authors acknowledge the Welch Foundation (Grant No. F-1535) for their financial support of this work.


  • Boron
  • Chemisorption
  • Density functional calculations
  • Silicon
  • Surface chemical reaction
  • Water


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