Steric and chain length effects in the (√(3) × √(3))R30° structures of alkanethiol self-assembled monolayers on Au(111)
The translational and orientational potential energy surfaces (PESs) of n-alkanethiols with up to four carbon atoms are studied for (√(3) × √(3))R30° self-assembled monolayers (SAMs). The PESs indicate that methanethiol may form SAM structures that are not accessible for long-chain thiols. The tilt...
- Autores:
- Tipo de recurso:
- Fecha de publicación:
- 2011
- Institución:
- Universidad Tecnológica de Bolívar
- Repositorio:
- Repositorio Institucional UTB
- Idioma:
- eng
- OAI Identifier:
- oai:repositorio.utb.edu.co:20.500.12585/9113
- Acceso en línea:
- https://hdl.handle.net/20.500.12585/9113
- Palabra clave:
- Alkanethiols
Density functional calculations
Gold
Monolayers
Structure elucidation
Atoms
Carbon
Chain length
Complexation
Crystal symmetry
Density functional theory
Dimers
Gold
Gold compounds
Molecular physics
Monolayers
Paraffins
Point defects
Potential energy
Potential energy surfaces
Quantum chemistry
Self assembled monolayers
Single crystals
Sulfur
Van der Waals forces
Alkanethiol self-assembled monolayers
Alkanethiols
Chain-chain interactions
Gradient approximation
Interaction energies
Structure elucidation
Thermal equilibriums
Van Der Waals interactions
Binding energy
- Rights
- restrictedAccess
- License
- http://creativecommons.org/licenses/by-nc-nd/4.0/