Organisers

• Graeme Watson (Trinity College Dublin, Ireland)
• Charles Patterson (Trinity College Dublin, Ireland)
• Simon Elliott (Tyndall National Institute, Ireland)
• Michael Nolan (University College Cork, Ireland)

Supports

Science Foundation Ireland

   Psi-k

ACAM - Atlantic Centre for Atomistic Modelling

University College Dublin

Description

The workshop will be held in the Schroedinger lecture theatre in the School of Physics, Trinity College Dublin, where Erwin Schroedinger gave a series of public lectures entitled, 'What is Life?' in 1943.

The official webpage for this workshop is available at

www.tyndall.ie/research/theory-and-modelling/oxides_workshop/index.html

Please register for the workshop via the official workshop webpage.

Bookings for accommodation in Trinity College may be made via the official workshop webpage. Additional details of hotel accommodation, how to get to the workshop, etc. are available on the official webpage.

The registration fee for the workshop is 40 Euro. There will be a workshop dinner on the evening of 10th September for which there will be a separate charge.

References

[1] Evidence for native defect donors in n-type ZnO,
D. C. Look et al. Phys. Rev. Lett. 95, 225502 (2005)

[2] X-ray absorption studies of the structure of nanocrystalline oxides,
A. V. Chadwick, Solid State Ionics 177, 2481 (2006)

[3] Defect energetics in ZnO: A hybrid Hartree-Fock density functional study,
F. Oba, A. Togo, I. Tanaka, J. Paier and G. Kresse, Phys. Rev. B 77, 245202 (2008).

[4] Sources of electrical conductivity in SnO2,
A. K. Singh, A. Janotti, M. Scheffler and C. G. Van de Walle, Phys. Rev. Lett. 101, 055502 (2008).

[5] Theoretical Description of Carrier Mediated Magnetism in Cobalt Doped ZnO,
A. Walsh, J. L. Da Silva and Su-Huai Wei, Phys. Rev. Lett. 100, 256401 (2008).

[6] Ultrathin oxides: Bulk-oxide-like model surfaces or unique films?
C. Freysoldt, P. Rinke, and M. Scheffler, Phys. Rev. Lett. 99, 086101 (2007).

[7] First Principles LDA+U and GGA+U Study of Cerium Oxides: Dependence on the Effective U-Parameter,
C. Loschen, J. Carrasco, K. M. Neyman and F. Illas, Phys. Rev. B, 75 035115 (2007).

[8] Modelling of Structures of Heterogeneous Catalysts, C. R. A. Catlow, R. G. Bell, B. Slater and S. M. Woodley (2008) in G. Ertl, H. Knözinger, F. Schüth, and J. Weitkamp (ed.) Handbook of Heterogeneous Catalysis. Weinheim: Wiley-VCH, 2nd edition.

[9] Catalysis by doped oxides: CO oxidation by AuxCe1-xO2,
V. Shapovalov and H. Metiu, J. Catalysis 245, 205 (2007).

[10] Formation and Catalytic Activity of Partially Oxidized Pd Nanoparticles,
T. Schalow, B. Brandt, M. Laurin, S. Guimond, D. E. Starr, Sh. K. Shaikhutdinov, S. Schauermann, J. Libuda, H.-J. Freund, Topics in Catalysis 42, 387 (2007).

[11] Small polarons and magnetic anti-phase boundaries in Ca2−xNaxCuO2Cl2 (x=0.06, 0.12): origin of striped phases in cuprates
C. H. Patterson, Phys. Rev. B 77 94523 (2008)

[12] Role of defects in ferromagnetism in Zn1-xCoxO: a hybrid density functional calculation
C. H. Patterson, Phys. Rev. B 74, 144432 (2006).