Results for AUGMENTED-WAVE METHOD

Publications & Outputs

1. Physisorption controls the conformation and density of states of an adsorbed porphyrin

   Jarvis, S. P., Taylor, S., Baran, J. D., Thompson, D., Saywell, A., Mangham, B., Champness, N. R., Larsson, J. A. & Moriarty, P., 17/12/2015, In: The Journal of Physical Chemistry C. 119, 50, p. 27982-27994 13 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

2. Ab initio structure search and in situ Li-7 NMR studies of discharge products in the Li-S battery system

   See, K. A., Leskes, M., Griffin, J. M., Britto, S., Matthews, P. D., Emly, A., Van der Ven, A., Wright, D. S., Morris, A. J., Grey, C. P. & Seshadri, R., 19/11/2014, In: Journal of the American Chemical Society. 136, 46, p. 16368-16377 10 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

3. Directed assembly of Ru nanoclusters on Ru(0001)-supported graphene: STM studies and atomistic modeling

   Engstfeld, A. K., Hoster, H. E., Behm, R. J., Roelofs, L. D., Liu, X., Wang, C-Z., Han, Y. & Evans, J. W., 22/08/2012, In: Physical review B. 86, 8, 12 p., 085442.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

4. The role of surface defects in large organic molecule adsorption: substrate configuration effects

   Waldmann, T., Nenon, C., Tonigold, K., Hoster, H. E., Gross, A. & Behm, R. J., 14/08/2012, In: Physical Chemistry Chemical Physics. 14, 30, p. 10726-10731 6 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

5. Oxidation of an organic adlayer: a bird's eye view

   Waldmann, T., Kuenzel, D., Hoster, H. E., Gross, A. & Behm, R. J., 30/05/2012, In: Journal of the American Chemical Society. 134, 21, p. 8817-8822 6 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review