PHY 913 (Sect. 301):
Nanoscience and Nanotechnology
David Tomanek
Fall 2018
Topic 1: Fullerenes
- Introduction
- How It All Began: Synthesis of carbon buckyballs
- List of stable carbon allotropes extended:
fullerenes, metallofullerenes,
solid C60,
bucky onions, nanotubes, nanocones
- Challenging problems:
- Dynamics of formation and destruction
- Static stability of carbon nanostructures
- Stability of fullerenes under static pressure
- Stability of fullerenes in collisions
- Stability of fullerenes at high temperatures
- Superconductivity of doped solid C60
- Static polarizability of fullerenes
- Optical properties of fullerenes
- Fullerene structures:
From Leonardo da Vinci to the Geodesic Dome
- Euler's Theorem and its application to fullerenes
- Basic facts about graphite as building motif of fullerenes
- Theoretical Tools
- Molecular dynamics for different thermodynamic ensembles
- Total energy formalisms
- Continuum elasticity theory:
Fullerenes as deformed graphite
- Density functional theory: The Limping Rolls-Royce
- Parametrized Linear Combination of Atomic Orbitals
(LCAO) approach: Strengths and Limitations
- Linear Response to static and dynamic external fields
- Equilibrium geometry of carbon clusters
- Small carbon clusters: Chains, rings, fullerenes
- Entropy and finite temperature effects on structures
- Stability of solid C60 under compression
- Relative stability of fullerenes:
Deformation of graphite
- Multi-wall fullerenes: Transition to graphite
- Genealogy of fullerenes
- Atoms in a Cage: Endohedral fullerene complexes
- Stability of donor and acceptor complexes
- Dynamics of endohedral fullerenes: Roll, rattle and shake
- Collision dynamics of fullerenes
- C60-C240 collisions
at various energies (
movies)
- Slow equilibration in nanostructures:
A surprise that should not be one
- Melting transition in fullerenes
- Do fullerenes undergo a melting phase transition?
- Signatures of different "phases"
- Conductivity and superconductivity of the doped
C60 solid
- C60 as a molecular solid
- Jahn-Teller effect and electron-phonon coupling
- Electronic versus phonon coupling mechanism:
The One-Hat-Fits-All theory and its breakdown
- Giant static polarizability of fullerenes:
Fact or artifact?
- Dynamic polarizability of fullerenes
- Collective dipole excitations in C60
- Dynamic multipole excitations in fullerenes
- Inelastic electron scattering: No selection rules
- Summary and Conclusions
- Nothing new since graphite?
- Exciting prospects: Use of fullerenes
in hybrid structures
... back to Nanoscience and Nanotechnology
... back to David Tomanek's home page