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Modeling the non-equilibrium process of the chemical adsorption of ammonia on GaN(0001) reconstructed surfaces based on steepest-entropy-ascent quantum thermodynamics

Abstract:

Clearly understanding elementary growth processes that depend on surface reconstruction is essential to controlling vapor-phase epitaxy more precisely. In this study, ammonia chemical adsorption on GaN(0001) reconstructed surfaces under metalorganic vapor phase epitaxy (MOVPE) conditions (3Ga-H and Nad-H + Ga-H on a 2 × 2 unit cell) is investigated using steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic-ensemble based, first-principles framework th...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's Version

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Publisher copy:
10.3390/ma10080948

Authors


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Role:
Author
ORCID:
0000-0002-1296-9180
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Institution:
University of Oxford
Division:
MPLS Division
Department:
Engineering Science
Role:
Author
ORCID:
0000-0001-8125-6793
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Role:
Author
ORCID:
0000-0002-4982-8883
Publisher:
MDPI Publisher's website
Journal:
Materials Journal website
Volume:
10
Issue:
8
Pages:
948-948
Publication date:
2017-08-15
Acceptance date:
2017-08-11
DOI:
EISSN:
1996-1944
ISSN:
1996-1944
Pubs id:
pubs:724288
URN:
uri:81a4b301-a6c0-44e9-8562-c6dc7d7d2c25
UUID:
uuid:81a4b301-a6c0-44e9-8562-c6dc7d7d2c25
Local pid:
pubs:724288

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