Early events in the mechanism of single-source chemical vapor deposition of zirconium and hafnium diboride: a computational investigation
Literature Information
Sergei Prokvolit, Erqian Mao, Thomas G. Gray
Chemical vapor deposition (CVD) of group 4 metal-diboride ceramics from a single source is a versatile technique that finds many applications from hypersonic flight to microelectronics. Though the kinetics of CVD have been studied extensively—allowing significant process improvements—a mechanistic understanding of the process has yet to be attained. Computations suggest two plausible reaction pathways—one higher-energy and the second lower—that correlate well with experimental results reported in the literature, explaining phenomena such as high-temperature deposition resulting in films overstoichiometric in boron. These insights offer a new perspective that may be instrumental in the rational design of new precursors for single-source CVD.
Recommended Journals

Photochemical & Photobiological Sciences

Environmental Toxicology and Pharmacology

Physical Chemistry Chemical Physics

Advanced Engineering Materials

Foundations of Chemistry

Journal of Medical Biochemistry

Journal of Enzyme inhibition and Medicinal Chemistry

Lab on a Chip

Molecules

Contact Lens & Anterior Eye
Related Literature
Hydrogen evolution reaction on a smooth iron electrode in alkaline solution at different temperatures
DOI: 10.1039/B102777H
Dynamics of the reaction of O− with D2 at low collision energies: reagent rotational energy effects
Susan Troutman Lee, Elizabeth Richards O'Grady, Michael A. Carpenter, James M. Farrar
DOI: 10.1039/A906996H
The transient absorption of 1,3,5-tri-tert-butyl-pentalene
Laura Bussotti, Cristina Gellini, Laura Moroni, Pier Remigio Salvi
DOI: 10.1039/B103114G
Perfect families of mixed crystals: the ‘‘ordered’’ crystalline forms of n-alkanes
Fazil Rajabalee, Valérie Metivaud, Harry A. J. Oonk, Denise Mondieig, Peter Waldner
DOI: 10.1039/A909731G
Protonation kinetics of acrylate radical anions
Erzsébet Takács, Katalin Dajka, László Wojnárovits, Salvatore S. Emmi
DOI: 10.1039/B000222O
Experimental suppression of multiple scattering: Effect on dynamic and static scattering data
Jörg-Michael Schröder, Simone Wiegand
DOI: 10.1039/A909828C
An X-ray absorption spectroscopy study of the Fe K edge in nanosized maghemite and in Fe2O3–SiO2 nanocomposites
Anna Corrias, Guido Ennas, Gavin Mountjoy, Giorgio Paschina
DOI: 10.1039/A908698F
Electronic excitations of polyalanine; test of the independent chromophore approximation
Sanford A. Asher
DOI: 10.1039/B101083M
Unexpected radical generation on γ-irradiating metastable forms of water at 77 K. Invited Lecture
Andreas Hallbrucker, Erwin Mayer
DOI: 10.1039/A908700A
You might also like
Are there alternatives to 1-(4-Chlorophenyl)-N-hydroxymethanimine (CAS: 3848-36-0) in synthesis?
When considering alternatives to 1-(4-Chlorophenyl)-N-hydroxymethanimine (CAS: 3...
How should (1R,9S,10S,12S,14E,16S,19R,20R,21S,22R)-3,9,21-Trihydroxy-5,10,12,14,16,20,22-heptamethyl-23,24-dioxatetracyclo[17.3.1.1~6,9~.0~2,7~]tetracosa-2,5,7,14-tetraen-4-one (CAS: 183202-73-5) be stored?
This compound should be stored in a cool, dry place away from direct sunlight. I...
How is 3-(4-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (CAS: 419553-16-5) typically synthesized?
3-(4-Bromophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is synthesized through a m...
How is 5-Chloro-2-(4-chlorophenyl)-4-methyl-6-[3-(1-piperidinyl)propoxy]pyrimidine (CAS: 1639220-19-1) typically synthesized?
5-Chloro-2-(4-chlorophenyl)-4-methyl-6-[3-(1-piperidinyl)propoxy]pyrimidine (CAS...
What industries use 2-Chloro-4-(difluoromethoxy)pyridine (CAS: 1206978-15-5)?
2-Chloro-4-(difluoromethoxy)pyridine is used in the pharmaceutical industry for ...
What regulatory guidelines apply to 3-Chloro-6-methylpyridazine (CAS: 1121-79-5)?
3-Chloro-6-methylpyridazine (CAS: 1121-79-5) is classified under the Globally Ha...
Are there alternatives to Methyl 4,5-dimethyl-2-nitrobenzoate in synthesis?
Several alternatives can be used in the synthesis of Methyl 4,5-dimethyl-2-nitro...
Are there alternatives to (2E,2'E)-3,3'-(1,4-Phenylene)bisacrylaldehyde in synthesis?
Alternatives to (2E,2'E)-3,3'-(1,4-Phenylene)bisacrylaldehyde include other acry...
What is 3-Amino-5-chloropyridin-2-ol hydrochloride (CAS: 1261906-29-9)?
3-Amino-5-chloropyridin-2-ol hydrochloride is an organic compound with the CAS n...
What precautions should be taken when handling 6,7-Difluoro-2,3-dihydro-4H-chromen-4-one (CAS: 1092349-93-3)?
When handling 6,7-Difluoro-2,3-dihydro-4H-chromen-4-one, it is essential to wear...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
![2-{[4-(2-Methoxyethyl)phenoxy]methyl}oxirane structure 2-{[4-(2-Methoxyethyl)phenoxy]methyl}oxirane structure](https://static.chemtradehub.com/structs/567/56718-70-8-f037.webp)


![N-[(E)-Phenylmethylene]benzenesulfonamide structure N-[(E)-Phenylmethylene]benzenesulfonamide structure](https://static.chemtradehub.com/structs/139/13909-34-7-8167.webp)
