Computational thermodynamic study of SiC chemical vapor deposition from MTS‐H2
This study focuses on the computational thermodynamic analysis of the chemical vapor deposition (CVD) of SiC from the methyltrichlorosilane‐hydrogen (MTS‐H2) using up‐to‐date thermodynamic databases. High‐resolution computation has been performed with the fine intervals of temperature and pressure a...
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| Veröffentlicht in: | Journal of the American Ceramic Society 2021-07, Vol.104 (7), p.3726-3737 |
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| container_title | Journal of the American Ceramic Society |
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| creator | Peng, Jian Jolly, Brian Mitchell, David J. Haynes, J. Allen Shin, Dongwon |
| description | This study focuses on the computational thermodynamic analysis of the chemical vapor deposition (CVD) of SiC from the methyltrichlorosilane‐hydrogen (MTS‐H2) using up‐to‐date thermodynamic databases. High‐resolution computation has been performed with the fine intervals of temperature and pressure at the various H2/MTS ratios of interest to systematically investigate the deposition condition range (800 to 1600°C, 0 to 26 664 Pa, and H2/MTS ratios of 0.1 to 100) to guide experimental exploration. The influence of deposition parameters on the compositions and phase stabilities of the deposit and gas phase pertinent to vapor processing is elucidated. Low pressure and medium temperatures (1000 to 1400°C) are beneficial to reaching a higher SiC deposition efficiency and provide an optimal window for preparing a high‐purity (>99 wt.% SiC) deposit. This optimal processing window expands significantly with an increasing H2/MTS ratio ( |
| doi_str_mv | 10.1111/jace.17742 |
| format | Article |
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Allen ; Shin, Dongwon</creator><creatorcontrib>Peng, Jian ; Jolly, Brian ; Mitchell, David J. ; Haynes, J. Allen ; Shin, Dongwon ; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)</creatorcontrib><description>This study focuses on the computational thermodynamic analysis of the chemical vapor deposition (CVD) of SiC from the methyltrichlorosilane‐hydrogen (MTS‐H2) using up‐to‐date thermodynamic databases. High‐resolution computation has been performed with the fine intervals of temperature and pressure at the various H2/MTS ratios of interest to systematically investigate the deposition condition range (800 to 1600°C, 0 to 26 664 Pa, and H2/MTS ratios of 0.1 to 100) to guide experimental exploration. The influence of deposition parameters on the compositions and phase stabilities of the deposit and gas phase pertinent to vapor processing is elucidated. Low pressure and medium temperatures (1000 to 1400°C) are beneficial to reaching a higher SiC deposition efficiency and provide an optimal window for preparing a high‐purity (>99 wt.% SiC) deposit. This optimal processing window expands significantly with an increasing H2/MTS ratio (<20). These results are supported by a number of previous theoretical and experimental observations. The mass fraction of SiC in deposit is proposed as an additional perspective to understand the discrepancy between thermodynamic calculation and experimental observation of pure CVD SiC at low H2/MTS ratios.</description><identifier>ISSN: 0002-7820</identifier><identifier>EISSN: 1551-2916</identifier><identifier>DOI: 10.1111/jace.17742</identifier><language>eng</language><publisher>Columbus: Wiley Subscription Services, Inc</publisher><subject>Chemical vapor deposition ; Computational thermodynamics ; CVD/CVI ; High-throughput calculation ; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY ; Low pressure ; MATERIALS SCIENCE ; MTS ; SiC ; Trichloromethylsilane ; Vapor phases</subject><ispartof>Journal of the American Ceramic Society, 2021-07, Vol.104 (7), p.3726-3737</ispartof><rights>Published 2021. This article is a U.S. Government work and is in the public domain in the USA.</rights><rights>2021 American Ceramic Society</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0002-9763-4741 ; 0000-0002-5797-3423 ; 0000000188681848 ; 0000000242367383 ; 0000000297634741 ; 0000000257973423</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1111%2Fjace.17742$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1111%2Fjace.17742$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>230,314,776,780,881,1411,27901,27902,45550,45551</link.rule.ids><backlink>$$Uhttps://www.osti.gov/servlets/purl/1777756$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Peng, Jian</creatorcontrib><creatorcontrib>Jolly, Brian</creatorcontrib><creatorcontrib>Mitchell, David J.</creatorcontrib><creatorcontrib>Haynes, J. Allen</creatorcontrib><creatorcontrib>Shin, Dongwon</creatorcontrib><creatorcontrib>Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)</creatorcontrib><title>Computational thermodynamic study of SiC chemical vapor deposition from MTS‐H2</title><title>Journal of the American Ceramic Society</title><description>This study focuses on the computational thermodynamic analysis of the chemical vapor deposition (CVD) of SiC from the methyltrichlorosilane‐hydrogen (MTS‐H2) using up‐to‐date thermodynamic databases. High‐resolution computation has been performed with the fine intervals of temperature and pressure at the various H2/MTS ratios of interest to systematically investigate the deposition condition range (800 to 1600°C, 0 to 26 664 Pa, and H2/MTS ratios of 0.1 to 100) to guide experimental exploration. The influence of deposition parameters on the compositions and phase stabilities of the deposit and gas phase pertinent to vapor processing is elucidated. Low pressure and medium temperatures (1000 to 1400°C) are beneficial to reaching a higher SiC deposition efficiency and provide an optimal window for preparing a high‐purity (>99 wt.% SiC) deposit. This optimal processing window expands significantly with an increasing H2/MTS ratio (<20). These results are supported by a number of previous theoretical and experimental observations. The mass fraction of SiC in deposit is proposed as an additional perspective to understand the discrepancy between thermodynamic calculation and experimental observation of pure CVD SiC at low H2/MTS ratios.</description><subject>Chemical vapor deposition</subject><subject>Computational thermodynamics</subject><subject>CVD/CVI</subject><subject>High-throughput calculation</subject><subject>INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY</subject><subject>Low pressure</subject><subject>MATERIALS SCIENCE</subject><subject>MTS</subject><subject>SiC</subject><subject>Trichloromethylsilane</subject><subject>Vapor phases</subject><issn>0002-7820</issn><issn>1551-2916</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNotkEtOwzAQhi0EEqWw4QQWrFNs52F7WUVAQUUgtawtx3ZUV00cYgeUHUfgjJwEt2U289A3v2Z-AK4xmuEYd1upzAxTmpETMMF5jhPCcXEKJgghklBG0Dm48H4bW8xZNgFvpWu6IchgXSt3MGxM3zg9trKxCvow6BG6Gq5sCdXGxFlkPmXneqhN57zdr8G6dw18Wa9-v38W5BKc1XLnzdV_noL3h_t1uUiWr49P5XyZOILSeIoyCCvO6lTLmusKV5yySldpQTQzDOGqoDjTvFI5z1LEcqUxzTiTleYaaZ5Owc1R1_lghVc2GLVRrm2NCiI6QGleROj2CHW9-xiMD2Lrhj4-6gXJCckxi5qRwkfqy-7MKLreNrIfBUZi76nYeyoOnorneXl_qNI_x-Bsag</recordid><startdate>202107</startdate><enddate>202107</enddate><creator>Peng, Jian</creator><creator>Jolly, Brian</creator><creator>Mitchell, David J.</creator><creator>Haynes, J. Allen</creator><creator>Shin, Dongwon</creator><general>Wiley Subscription Services, Inc</general><general>American Ceramic Society</general><scope>7QQ</scope><scope>7SR</scope><scope>8FD</scope><scope>JG9</scope><scope>OIOZB</scope><scope>OTOTI</scope><orcidid>https://orcid.org/0000-0002-9763-4741</orcidid><orcidid>https://orcid.org/0000-0002-5797-3423</orcidid><orcidid>https://orcid.org/0000000188681848</orcidid><orcidid>https://orcid.org/0000000242367383</orcidid><orcidid>https://orcid.org/0000000297634741</orcidid><orcidid>https://orcid.org/0000000257973423</orcidid></search><sort><creationdate>202107</creationdate><title>Computational thermodynamic study of SiC chemical vapor deposition from MTS‐H2</title><author>Peng, Jian ; Jolly, Brian ; Mitchell, David J. ; Haynes, J. 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Allen</creatorcontrib><creatorcontrib>Shin, Dongwon</creatorcontrib><creatorcontrib>Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)</creatorcontrib><collection>Ceramic Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>OSTI.GOV - Hybrid</collection><collection>OSTI.GOV</collection><jtitle>Journal of the American Ceramic Society</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Peng, Jian</au><au>Jolly, Brian</au><au>Mitchell, David J.</au><au>Haynes, J. Allen</au><au>Shin, Dongwon</au><aucorp>Oak Ridge National Lab. 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The influence of deposition parameters on the compositions and phase stabilities of the deposit and gas phase pertinent to vapor processing is elucidated. Low pressure and medium temperatures (1000 to 1400°C) are beneficial to reaching a higher SiC deposition efficiency and provide an optimal window for preparing a high‐purity (>99 wt.% SiC) deposit. This optimal processing window expands significantly with an increasing H2/MTS ratio (<20). These results are supported by a number of previous theoretical and experimental observations. 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| source | Wiley Online Library Journals Frontfile Complete |
| subjects | Chemical vapor deposition Computational thermodynamics CVD/CVI High-throughput calculation INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Low pressure MATERIALS SCIENCE MTS SiC Trichloromethylsilane Vapor phases |
| title | Computational thermodynamic study of SiC chemical vapor deposition from MTS‐H2 |
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