Abstracts - faqs.org

Abstracts

Chemicals, plastics and rubber industries

Search abstracts:
Abstracts » Chemicals, plastics and rubber industries

Initial surface reactions of TiO(sub 2) atomic layer deposition onto SiO(sub 2) surfaces: Density functional theory calculations

Article Abstract:

A density functional theory study of the initial reaction mechanisms of TiO(sub 2) deposition onto SiO(sub 2) substrate using atomic layer deposition (ALD) is presented. The findings suggests that the concentration and arrangement of different reactive groups on the substrate would strongly dictate the process of film growth during ALD, including film morphology and the growth rate.

Author: Turner, Heath
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Titanium dioxide

User Contributions:

Comment about this article or add new information about this topic:

CAPTCHA


A family of stable silica fullerenes with fully coordinated structures

Article Abstract:

A few well-defined silica fullerenes ranging in size from 20 to 60 Si[O.sub.2] units were analyzed. DFT calculations show that the desired structures have highly energetic stabilities, large HMO-LUMO gaps, and good resistibilities to rupture of insulating capability in external electric fields and these silica fullerenes are a possible polymorph of silica.

Author: Dongju Zhang, Jian Wu, R.Q, Zhang, Chnegbu Liu
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Industrial sand, Silica & Silica Sand, Industrial Sand Mining, Electric properties, Silica, Fullerenes

User Contributions:

Comment about this article or add new information about this topic:

CAPTCHA


Structural model of silica nanowire assembled from a highly stable (SiO(sub 2))(sub 8) unit

Article Abstract:

Various calculations on the basis of the density functional theory are performed to study the structural model of silica nanowires assembled from a highly stable (SiO(sub 2))(sub 8) unit. These silica clusters are proved to show high energetic stability and relatively high chemical reactivity.

Author: R.Q. Zhang, Dongju Zhang
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Atomic properties

User Contributions:

Comment about this article or add new information about this topic:

CAPTCHA


Subjects list: Usage, Density functionals, Density functional theory, Chemical properties, Silicon dioxide
Similar abstracts:
  • Abstracts: Chemisorption of CO2 on nickel surfaces. C[O.sub.2] reforming of C[H.sub.4] on Ni(111): A density functional theory calculation
  • Abstracts: Influence of the hydroxylation of gamma-Al(sub 2)O(sub 3) surfaces on the stability and diffusion of single Pd atom: A DFT study
  • Abstracts: Evaluation of (super 27)Al and (super 51)V electric field gradients and the crystal structure for aluminum orthovanadate (AlVO(sub 4)) by density functional theory calculations
  • Abstracts: Phase structure and luminescence properties of Eu(super 3+)-doped TiO(sub 2) nanocrystals synthesized by Ar/O(sub 2) radio frequency thermal plasma oxidation of liquid precursor mists. part 2
  • Abstracts: Formation mechanism of [Si.sub.3][N.sub.4] nanowires via carbothermal reduction of carbonaceous silica xerogels
This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.
Some parts © 2025 Advameg, Inc.