# name
Diamondization of Bulk and Slabs of Graphite

# metadata.dc.description[].value
Treballs Finals de Grau de Química, Facultat de Química, Universitat de Barcelona, Any: 2014, Tutor: Francesc Viñes Solana

# metadata.dc.description.abstract[].value
Graphite and diamond are allotropes of carbon with comparable energies. However, the
formation of diamond from graphite requires the application of high pressures (physical
method), typically above 10 GPa, as is currently done using the HPHT method (High Pressure,
High Temperature). From the chemical point of view, the application of pressure forces a
change of hybridization of sp2 carbon atoms, as in graphite, to sp3, as in diamond. The
mechanism of this phase change, however, is not trivial, as there are two forms of graphite that
coexist, rhombohedral graphite (RG) and hexagonal graphite (HG), and the same occurs with
the diamond; there is the cubic diamond (CD) and the hexagonal (HD). Here the RG→CD and
HG→HD processes are studied. Besides the physical method to force the change of
hybridization, one can think on a chemical method that leads to the same result. A change in
hybridization of carbon atoms can happen with the adsorption of hydrogen or fluorine atoms on different graphitic systems with more than one layer...

# metadata.dc.title[].value
Diamondization of Bulk and Slabs of Graphite

# metadata.dc.title.alternative[].value
Diamantització de Bulk i Slabs de Grafit