Homogeneous Decomposition of Aryl- and Alkylimido Precursors for the Chemical Vapor Deposition of Tungsten Nitride:  A Combined Density Functional Theory and Experimental Study

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...

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

The Journal of Physical Chemistry A ◽

10.1021/jp8034538 ◽

2008 ◽

Vol 112 (45) ◽

pp. 11436-11448 ◽

Cited By ~ 34

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

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Influence of Hydrogen on Growth of Carbon Nanotubes

MRS Proceedings ◽

10.1557/proc-1204-k05-16 ◽

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.

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Towards a comprehensive understanding of the chemical vapor deposition of titanium nitride using Ti(NMe2)4: a density functional theory approach

Dalton Transactions ◽

10.1039/c4dt00690a ◽

2014 ◽

Vol 43 (23) ◽

pp. 8877 ◽

Cited By ~ 5

Author(s):

Kaushik Sen ◽

Tahamida Banu ◽

Tanay Debnath ◽

Deepanwita Ghosh ◽

Abhijit K. Das

Keyword(s):

Density Functional Theory ◽

Chemical Vapor Deposition ◽

Titanium Nitride ◽

Vapor Deposition ◽

Density Functional ◽

Chemical Vapor ◽

Theory Approach ◽

Comprehensive Understanding ◽

Functional Theory

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Understanding the Mechanism of SiC Plasma-Enhanced Chemical Vapor Deposition (PECVD) and Developing Routes toward SiC Atomic Layer Deposition (ALD) with Density Functional Theory

ACS Applied Materials & Interfaces ◽

10.1021/acsami.8b00794 ◽

2018 ◽

Vol 10 (17) ◽

pp. 15216-15225 ◽

Cited By ~ 9

Author(s):

Ekaterina A. Filatova ◽

Dennis Hausmann ◽

Simon D. Elliott

Keyword(s):

Density Functional Theory ◽

Chemical Vapor Deposition ◽

Atomic Layer Deposition ◽

Vapor Deposition ◽

Density Functional ◽

Chemical Vapor ◽

Atomic Layer ◽

Functional Theory ◽

Layer Deposition

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Low temperature metal-organic chemical vapor deposition of tungsten nitride as diffusion barrier for copper metallization

Journal of Vacuum Science & Technology B Microelectronics Processing and Phenomena ◽

10.1116/1.590703 ◽

1999 ◽

Vol 17 (3) ◽

pp. 1101 ◽

Cited By ~ 41

Author(s):

Jean E. Kelsey ◽

Cindy Goldberg ◽

Guillermo Nuesca ◽

Gregory Peterson ◽

Alain E. Kaloyeros ◽

...

Keyword(s):

Chemical Vapor Deposition ◽

Low Temperature ◽

Diffusion Barrier ◽

Vapor Deposition ◽

Chemical Vapor ◽

Copper Metallization ◽

Organic Chemical ◽

Tungsten Nitride ◽

Metal Organic ◽

Organic Chemical Vapor Deposition

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Chemical vapor deposition of layered two-dimensional MoSi2N4 materials

Science ◽

10.1126/science.abb7023 ◽

2020 ◽

Vol 369 (6504) ◽

pp. 670-674 ◽

Cited By ~ 11

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.

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