Studies of Carbon Incorporation on the Diamond {100} Surface during Chemical Vapor Deposition using Density Functional Theory

2008 ◽  
Vol 112 (45) ◽  
pp. 11436-11448 ◽  
Author(s):  
Andrew Cheesman ◽  
Jeremy N. Harvey ◽  
Michael N. R. Ashfold
Keyword(s):  
Density Functional Theory ◽  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Density Functional ◽  
Chemical Vapor ◽  
Carbon Incorporation ◽  
Functional Theory

Graphene adlayer growth between nonepitaxial graphene and Ni(111) substrate: a promising theoretical scheme

2020 ◽  
Author(s):  
Lijuan Meng ◽  
Jinlian Lu ◽  
Yujie Bai ◽  
Lili Liu ◽  
Tang Jingyi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Density Functional Theory ◽  
Chemical Vapor Deposition ◽  
Molecular Dynamics Simulations ◽  
Vapor Deposition ◽  
Density Functional ◽  
Chemical Vapor ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Dynamics Simulations

Understanding the fundamentals of chemical vapor deposition bilayer graphene growth is crucial for its synthesis. By employing density functional theory calculations and classical molecular dynamics simulations, we have investigated the...

Influence of Hydrogen on Growth of Carbon Nanotubes

2009 ◽  
Vol 1204 ◽  
Author(s):  
Maxim Belov ◽  
Andrey Knizhnik ◽  
Irina Lebedeva ◽  
Alexey Gavrikov ◽  
Boris Potapkin ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Density Functional Theory ◽  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Carbon Nanostructures ◽  
Density Functional ◽  
Chemical Vapor ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Thermal Chemical Vapor Deposition

AbstractThe influence of hydrogen on the growth of carbon nanostructures in thermal chemical vapor deposition is studied using density functional theory calculations. It is shown that hydrogen adatoms effectively bind to edges of graphitic structures on the Ni (111) surface. This is found to result in a significant decrease of the rate of carbon attachment to the growing graphitic structures. However, it is also demonstrated that the edges of graphitic structures which are attached to steps on the Ni surface should not be hydrogenated.

Chemical vapor deposition of layered two-dimensional MoSi2N4 materials

Science ◽  
2020 ◽  
Vol 369 (6504) ◽  
pp. 670-674 ◽  
Author(s):  
Yi-Lun Hong ◽  
Zhibo Liu ◽  
Lei Wang ◽  
Tianya Zhou ◽  
Wei Ma ◽  
...  
Keyword(s):  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Density Functional ◽  
Chemical Vapor ◽  
Large Family ◽  
Density Functional Theory Calculations ◽  
Layered Materials ◽  
Molybdenum Nitride ◽  
Two Dimensional ◽  
Chemical Vapor Deposition Growth

Identifying two-dimensional layered materials in the monolayer limit has led to discoveries of numerous new phenomena and unusual properties. We introduced elemental silicon during chemical vapor deposition growth of nonlayered molybdenum nitride to passivate its surface, which enabled the growth of centimeter-scale monolayer films of MoSi2N4. This monolayer was built up by septuple atomic layers of N-Si-N-Mo-N-Si-N, which can be viewed as a MoN2 layer sandwiched between two Si-N bilayers. This material exhibited semiconducting behavior (bandgap ~1.94 electron volts), high strength (~66 gigapascals), and excellent ambient stability. Density functional theory calculations predict a large family of such monolayer structured two-dimensional layered materials, including semiconductors, metals, and magnetic half-metals.

Temperature Dependence of Carbon Incorporation in AlxGa1-xAs Grown by Metalorganic Chemical Vapor Deposition (MOCVD)

1994 ◽  
Vol 340 ◽  
Author(s):  
D.V. Forbes ◽  
J.J. Coleman
Keyword(s):  
Chemical Vapor Deposition ◽  
Carbon Concentration ◽  
Vapor Deposition ◽  
Metalorganic Chemical Vapor Deposition ◽  
Chemical Vapor ◽  
Surface Kinetics ◽  
Carbon Incorporation ◽  
Temperature Regimes ◽  
Two Temperature ◽  
Metalorganic Chemical

ABSTRACTThe dependence of carbon concentration on growth temperature and V/HII ratio for high composition AlxGal-xAs (x>0.40) grown by metalorganic chemical vapor deposition using trimethyl sources has been investigated. The carbon concentration exhibits at least two temperature regimes having different trends with temperature. In the region of 600-675°C, the carbon concentration decreases with temperature, while in the range of 700-800°C, the carbon concentration increases with temperature. This dependence was observed in samples grown in two separate reactors. High values of V/III ratio have been found to suppress the low temperature carbon incorporation in AlAs. The results are qualitatively explained in terms of the chemical reactions and surface kinetics that may occur during the growth of GaAs or AlxGal-xAs.

Organometallic chemical vapor deposition of tungsten metal, and suppression of carbon incorporation by codeposition of platinum

1992 ◽  
Vol 61 (15) ◽  
pp. 1793-1795 ◽  
Author(s):  
Burkhard Niemer ◽  
Alfred A. Zinn ◽  
William K. Stovall ◽  
Paul E. Gee ◽  
Robert F. Hicks ◽  
...  
Keyword(s):  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Chemical Vapor ◽  
Carbon Incorporation ◽  
Tungsten Metal ◽  
Organometallic Chemical Vapor Deposition
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