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

Yun Wang; Gyeong S. Hwang

doi:10.1016/j.susc.2003.08.056

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

Yun Wang, Gyeong S. Hwang

Department of Chemical Engineering & Materials Science

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

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 language	English
Pages (from-to)	L882-L886
Journal	Surface Science
Volume	547
Issue number	3
DOIs	https://doi.org/10.1016/j.susc.2003.08.056
State	Published - 20 Dec 2003

Bibliographical note

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

Keywords

Boron
Chemisorption
Density functional calculations
Silicon
Surface chemical reaction
Water

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10.1016/j.susc.2003.08.056

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

abstract = "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.",

keywords = "Boron, Chemisorption, Density functional calculations, Silicon, Surface chemical reaction, Water",

author = "Yun Wang and Hwang, {Gyeong S.}",

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

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T1 - Function of subsurface boron on Si(0 0 1)-2 × 1

T2 - Water adsorption

AU - Wang, Yun

AU - Hwang, Gyeong S.

N1 - Funding Information: The authors acknowledge the Welch Foundation (Grant No. F-1535) for their financial support of this work.

PY - 2003/12/20

Y1 - 2003/12/20

N2 - 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.

AB - 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.

KW - Boron

KW - Chemisorption

KW - Density functional calculations

KW - Silicon

KW - Surface chemical reaction

KW - Water

UR - http://www.scopus.com/inward/record.url?scp=0344035339&partnerID=8YFLogxK

U2 - 10.1016/j.susc.2003.08.056

DO - 10.1016/j.susc.2003.08.056

M3 - Article

AN - SCOPUS:0344035339

SN - 0039-6028

VL - 547

SP - L882-L886

JO - Surface Science

JF - Surface Science

IS - 3

ER -

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

Abstract

Bibliographical note

Keywords

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