Ab initio study of chemisorption reactions for carboxylic acids on hydrogenated silicon surfaces
Article Abstract:
A study is conducted on the chemisorbed configurations of C3H6O2 on the extended H:Si(100) surface, through the first-principles density-functional calculations in a supercell approach. It is demonstrated that oxygen-bonded organic monolayers in the silicon substrate is thermodynamically very stable and by comparing several Si-O-C and Si-C linked configurations it was found that the doubly-O-bonded configuration should lead to ordered self-assembled monolayers.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
User Contributions:
Comment about this article or add new information about this topic:
Temperature-controlled growth of silicon-based nanostructures by thermal evaporation of SiO powders
Article Abstract:
The nanomaterial produced from thermal evaporation of SiO powders as a function of the local temperatures is investigated. The results indicate that at different temperature zones, other than Si nanowires, different kinds of Si-based nanostructures like octopuslike or pinlike are formed, and controlling the temperatures can control the morphology, size, crystallization and composition of the Si-based nanostructures.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
User Contributions:
Comment about this article or add new information about this topic:
Three-dimensional etching profiles and surface speciations (via attenuated total reflection-Fourier transform infrared spectroscopy) of silicon nanowires in NH4F-buffered HF solutions: A double passivation model
Article Abstract:
A systematic study of the etching behavior, in terms of three-dimensional profiles, of one-dimensional (1-D) silicon nanowires (SiNWs) in NH4F-buffered hydrofluoric acid (BHF) solutions of varying concentrations and pH values is conducted. The results revealed that the SiNWs are stable only in relatively narrow pH ranges of the NH4F-BHF solutions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: First-principles study of CO adsorption and vibration on Au surfaces. Alloying effects on N-O stretching frequency: a density functional theory study of the adsorption of NO on Pd(sub 3)Mn (100) and (111) surfaces
- Abstracts: Kinetics of adsorption of the cobalt ions on the 'electrolytic solution/gamma-alumina' interface. Theoretical study of the dehydration process of boehmite to gamma-alumina
- Abstracts: Vibrational study of the interaction of acetylene and benzene on clean and carbide-modified W(211) surfaces. Modifying surface reactivity by carbide formation: reaction pathways of cyclohexene over clean and carbide-modified W(111)
- Abstracts: Interaction of hydrophobically modified cationic dextran hydrogels with biological surfactants. Interaction of sodium poly (2-acrylamide-2-methyl-1-propanesulfonate) linear polymer and gel with metal salts
- Abstracts: Conformationally averaged score functions for electronic propagation in proteins. Interference, fluctuation, and alternation of electron tunneling in protein media: 2. Non-Condon theory for the energy gap dependence of electron transfer rate