Sökning: onr:"swepub:oai:DiVA.org:liu-99409" >
Reactivity of adduc...
Reactivity of adducts relevant to the deposition of hexagonal BN from first-principles calculations
-
- Freitas, R R Q. (författare)
- University of Federal Bahia, Brazil
-
- Gueorguiev, Gueorgui Kostov (författare)
- Linköpings universitet,Tunnfilmsfysik,Tekniska högskolan
-
- de Brito Mota, F (författare)
- University of Federal Bahia, Brazil
-
visa fler...
-
- de Castilho, C M C. (författare)
- University of Federal Bahia, Brazil
-
- Stafström, Sven (författare)
- Linköpings universitet,Beräkningsfysik,Tekniska högskolan
-
- Kakanakova-Georgieva, Anelia (författare)
- Linköpings universitet,Halvledarmaterial,Tekniska högskolan
-
visa färre...
-
(creator_code:org_t)
- Elsevier, 2013
- 2013
- Engelska.
-
Ingår i: Chemical Physics Letters. - : Elsevier. - 0009-2614 .- 1873-4448. ; 583, s. 119-124
- Relaterad länk:
-
https://urn.kb.se/re...
-
visa fler...
-
https://doi.org/10.1...
-
visa färre...
Abstract
Ämnesord
Stäng
- First-principles calculations, which also implement the nudged elastic band (NEB) code, are performed to investigate (i) the stability of the (C2H5)(3)B:NH3 adduct formed by the initial precursor molecules triethylborane (C2H5)(3)B and ammonia NH3 in the metal-chemical-vapor-deposition (MOCVD) of hexagonal BN, and (ii) the energy barrier to the first ethane elimination through consistent unimolecular, ammonia-assisted, and adduct-assisted reaction pathways. Comparison is done with the reference case of the (CH3)(3)Al:NH3 adduct, notoriously known for its high degree of stability and reactivity, which determines an overall severe parasitic gas-phase chemical reaction mechanism in the deposition of AlN.
Nyckelord
- TECHNOLOGY
- TEKNIKVETENSKAP
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
Hitta via bibliotek
Till lärosätets databas