First-Principle Study of Phosphine Adsorption on Si(001)-2x1-Cl Full article
Journal |
The Journal of Physical Chemistry C
ISSN: 1932-7447 , E-ISSN: 1932-7455 |
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Output data | Year: 2018, Volume: 122, Number: 3, Pages: 1741-1745 Pages count : 5 DOI: 10.1021/acs.jpcc.7b11519 | ||||
Tags | CHLORINE; SI(100) | ||||
Authors |
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Affiliations |
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Funding (1)
1 | Russian Science Foundation | 16-12-00050 |
Abstract:
Abstract This paper presents a DFT study for phosphine adsorption on a Si(001)-2×1 surface covered by a chlorine monolayer, including adsorption on local defects, i.e. mono- and bivacancies in the adsorbate layer (Cl, Cl2), and combined vacancies with removed silicon atoms (SiCl, SiCl2). Activation barriers were found for the adsorbing PH3 to dissociate into PH2+H and PH+H2 fragments; it was also established that phosphine dissociation on combined vacancies is possible at room temperature. If there is a silicon vacancy on the surface, phosphorus settles in the Si(001) lattice as PH (if the vacancy is SiCl) or as PH2 (if the vacancy is SiCl2). This paper suggests a method to plant a separate phosphorus atom into the silicon surface layer with atomic precision, using phosphine adsorption on defects specially created on a Si(001)2×1-Cl surface with an STM tip.
Cite:
Pavlova T.V.
, Zhidomirov G.M.
, Eltsov K.N.
First-Principle Study of Phosphine Adsorption on Si(001)-2x1-Cl
The Journal of Physical Chemistry C. 2018. V.122. N3. P.1741-1745. DOI: 10.1021/acs.jpcc.7b11519 WOS Scopus РИНЦ
First-Principle Study of Phosphine Adsorption on Si(001)-2x1-Cl
The Journal of Physical Chemistry C. 2018. V.122. N3. P.1741-1745. DOI: 10.1021/acs.jpcc.7b11519 WOS Scopus РИНЦ
Files:
Full text from publisher
Dates:
Submitted: | Nov 22, 2017 |
Accepted: | Dec 28, 2017 |
Published online: | Dec 28, 2017 |
Published print: | Jan 25, 2018 |
Identifiers:
Web of science | WOS:000423652700032 |
Scopus | 2-s2.0-85041177826 |
Elibrary | 35538141 |
Chemical Abstracts | 2018:15694 |
Chemical Abstracts (print) | 169:34705 |
OpenAlex | W2780478410 |