1998
DOI: 10.1002/(sici)1097-4601(1998)30:1<69::aid-kin9>3.0.co;2-s
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Mechanisms and kinetics of the thermal decompositions of trichlorosilane, dichlorosilane, and monochlorosilane

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Cited by 41 publications
(47 citation statements)
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“…The G3(CC) prediction of 81.6 kJ/mol for SiH 2 is slightly lower than the spectroscopic determination, while being in better agreement with the photoionization study. The increased S-T separations of 81.6 to 140.0 to 225.1 kJ/mol for SiH 2 , SiHCl, and SiCl 2 at G3(CC) level are in accordance with the decreased reactivity, e.g., the increased barrier heights from −2 to 64 to 164 kJ/mol for their insertion to H 2 at CCSD(T)/CBS level [108], and the increasing barrier height and the decreasing A-factor from insertions of SiHCl and SiCl 2 to H 2 from kinetics study [109].…”
Section: Silylene Radicalssupporting
confidence: 71%
“…The G3(CC) prediction of 81.6 kJ/mol for SiH 2 is slightly lower than the spectroscopic determination, while being in better agreement with the photoionization study. The increased S-T separations of 81.6 to 140.0 to 225.1 kJ/mol for SiH 2 , SiHCl, and SiCl 2 at G3(CC) level are in accordance with the decreased reactivity, e.g., the increased barrier heights from −2 to 64 to 164 kJ/mol for their insertion to H 2 at CCSD(T)/CBS level [108], and the increasing barrier height and the decreasing A-factor from insertions of SiHCl and SiCl 2 to H 2 from kinetics study [109].…”
Section: Silylene Radicalssupporting
confidence: 71%
“…The first Cl ligand is very influential into inhibiting polysilicon nucleation. This finding suggests that either dislocations of some crystallographic facet other than {100} activates a secondary decomposition mechanism of MCS which would be consistent with Walker's report on MCS thermal decomposition, (5).…”
Section: Intrinsic Si Epitaxysupporting
confidence: 90%
“…The chlorosilane thermal decomposition has been investigated both experimentally and theoretically, (5,6). SiHCl is the main decomposition intermediate of MCS pyrolysis while SiH 2 and SiCl 2 are the SiH 4 and DCS intermediates respectively.…”
Section: Monochlorosilanementioning
confidence: 99%
“…Both cases should be considered to completely describe the film growth. According to computational chemistry calculations 10,11 and experiments, 12 …”
Section: Model and Comparison With Experimentsmentioning
confidence: 99%