Trinity College Dublin

Publications 2001

54. Maicaneanu S.A., Sayle D.C. and Watson G.W.
    'Structural characterization of the CeO ₂ /YSZ(111) catalytic system using simulated amorphisation and recrystalisation.'
    Journal of Physical Chemistry B, 105, 12481-12489 (2001).
    


53. Read M.S.D., Islam M.S., Watson G.W. and Hancock F.E.
    'Surface structures and defect properties of pure and doped La₂NiO₄'
    Journal of Materials Chemistry, 11, 2597-2602 (2001)
    


52. Harris D.J., Watson G.W. and Parker S.C.
    'Atomistic simulation studies on the effect of pressure on diffusion at the MgO 410/[001] tilt grain boundary.'
    Physical Review B 64, 134101 (2001)
    


51. Sayle D.C. and Watson G.W.
    'The atomistic structures of MgO/SrTiO₃ (001) and BaO/SrTiO ₃(001) using simulated amorphisation and recrystallisation'
    Journal of Physical Chemistry 105, 5506-5514 (2001)
    


50. Watson G.W. and Willock D.J.
    'The enumeration of structures for g -alumina based on a defective spinel structure'
    Chemical Communications 1076-1077 (2001)
    


49. Watson G.W., Wells R.P.K., Willock D.J. and Hutchings G.J.
    'A comparison of the adsorption and diffusion of hydrogen on the {111} surfaces of Ni, Pd, and Pt from density functional theory calculations'
    Journal of Physical Chemistry 105, 4889-4894 (2001)
    


48. Hayes R.A., Watson G.W., Willock D.J. and Edwards H.
    'Computer simulation of organosilane-based coating agents'
    AIChE Symposium Series 325, 230-233 (2001)
    


47. Maicaneanu S.A., Sayle D.C. and Watson G. W.
    'Evolution and atomistic structure of dislocations defects and clusters with in CeO₂/ZrO₂ '
    Chemical Communications 289-290 (2001).
    


46. Watson G.W., Oliver P.M. and Parker S.C.
    'Atomistic simulation of dislocations on the (100) surface of MgO'
    Surface Science 474, L185-L190 (2001)
    


45. Watson G.W.
    'The structure and electronic structure of SnO'
    Journal of Chemical Physics 114, 758-763 (2001).
    


44. Sayle D.C. and Watson G.W.
    'Structural exploration of thin-film oxide interfaces via controlled amorphisation and recrystallisation'
    Surface Science 473, 97-107 (2001).