Miscellaneous Projects
Calculated vibrational frequencies
The comparison of FTIR and vibration frequencies calculated by density functional theory has helped provide insight into experiment, including formaldehyde solutions and phosphonic acid monolayers.
Gaca-Zajac, et al. Vibrational Spectroscopy 97, 44-54 (2018)
Hannah, et al. ACS Applied Materials and Interfaces 8, 25405 (2016)
Soy milk in coffee
Soymilk is often observed to “curdle” (become inhomogeneous) and then sediment in coffee, which makes it an undesirable product for consumers. This work investigates the phase behaviour (curdling) of an organic, unsweetened, long-life soymilk in instant coffee solutions for a range of coffee and soymilk concentrations, temperature and pH.
Ferroelectric oxide materials
The crystal structure and local spontaneous polarisation of perovskite superlattices were studied using first-principles density-functional theory. The in-plane lattice strain can be used to control the polarisation behaviour.
Oja, et al. Phys. Rev. B 78 094102 (2008)
Cooper, et al. Phys. Rev. B 76 020103(R) (2007)
Posadas, et al. Appl. Phys. Lett. 87 171915 (2005)
Dawber, et al. Phys. Rev. Lett. 95 177601 (2005)
Johnston, et al. Phys. Rev. B 71 100103(R) (2005)
