Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Quantum chemical studies of the chloride-based CVD process for Silicon Carbide
Linköping University, Department of Physics, Chemistry and Biology. Linköping University, The Institute of Technology.
2012 (English)Independent thesis Advanced level (degree of Master (Two Years)), 20 credits / 30 HE creditsStudent thesis
Abstract [en]

In this report the interaction between SiH2 molecules and a SiC-4H (0001) surface and SiCl2 molecules and a SiC-4H (0001) surface is investigated. This is done using a cluster model to represent the surface. First the clusters are investigated by calculating some properties to compare with experimental data to motivate the use of the cluster model. The band gap calculated by extrapolation for an infinitely large cluster is 3.75 eV which is fairly close to the experimental value of 3.2 eV.

Adsorption studies are performed and the main conclusion is that the SiH2 molecule adsorbs more strongly on the surface then the SiCl2 molecule, adsorption energies are calculated to approximately 200 kJ mol-1 and 100 kJ mol-1 respectively.

At the end a few migration studies are performed with the conclusion that SiCl2 more easily can diffuse on the surface compared to the SiH2 molecule. The respective activation energies for migration on the surface are 4 kJ mol-1 for SiCl2 and 87 kJ mol-1 for SiH2.

Place, publisher, year, edition, pages
2012. , 23 p.
Keyword [en]
silicon, carbide, CVD, chloride, surface, chemistry, quantum, adsorption, transition, band gap, Emil, Kalered
National Category
Physical Chemistry
Identifiers
URN: urn:nbn:se:liu:diva-85548ISRN: LITH-IFM-A-EX--12/2618--SEOAI: oai:DiVA.org:liu-85548DiVA: diva2:571517
Subject / course
Technical Physics
Presentation
(English)
Uppsok
Physics, Chemistry, Mathematics
Supervisors
Examiners
Available from: 2012-11-23 Created: 2012-11-22 Last updated: 2012-11-26Bibliographically approved

Open Access in DiVA

Huvudtext(2410 kB)181 downloads
File information
File name FULLTEXT01.pdfFile size 2410 kBChecksum SHA-512
ff9e4f265e43876c3ee5dcad2c7112c06df220348c3633ac22ac76e43957058ba0dc9cf520e60fadff486c59e2b2a3321a4a0ef19ae95117adda86f60a25db2e
Type fulltextMimetype application/pdf
Appendix A(864 kB)34 downloads
File information
File name ATTACHMENT01.pdfFile size 864 kBChecksum SHA-512
19eec7ad2423b805f8536acc1d870bedd012a0c2a933b52553e188ff9bfd7f3bedfbd55391f7494994c362939297680d9beb6b89f898d70909702d1af30b5564
Type attachmentMimetype application/pdf

By organisation
Department of Physics, Chemistry and BiologyThe Institute of Technology
Physical Chemistry

Search outside of DiVA

GoogleGoogle Scholar
Total: 181 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

urn-nbn

Altmetric score

urn-nbn
Total: 130 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf