Kersti Hermansson

Professor, Structural Chemistry

kersti hermansson

E-mail:
kersti@mkem.uu.se
Telephone:
+46 (0)18 471 3767
Visiting address:
Ångströmlaboratoriet, Lägerhyddsv. 1
Postal address:
Box 538
SE-751 21 UPPSALA
Sweden

Research

I am in my research primarily interested in condensed matter chemistry - especially how the properties of a molecule is affected by its (often dynamic) surroundings in solution, in acrystal, or on a crystalline surface. Water and ionic solutions. Metal oxides: Defects, dynamics, surface active sites, and heterogeonous catalysis. Calculation of vibrational spectra in solid materials and solutions. Fundamental research: Intermolecular interactions.

Projects

Teaching

Undergraduate courses

General chemistry ("Kemi 20 p")
Computational chemistry NV1, NV2
Computational chemistry (Civ. eng. program)
Environmental chemistry

Graduate courses

NGSSC (National Graduate School in Scientific Computing)

Latest publications

Kullgren, J., Hermansson, K., Broqvist, P. (2013). Supercharged Low-Temperature Oxygen Storage Capacity of Ceria at the Nanoscale. Journal of Physical Chemistry Letters, vol. 4, ss. 604-608 [doi:10.1021/jz3020524] [More information]
Mitev, P., Bopp, P., Petreska, J., Coutinho, K., Agren, H. et al. (2013). Different structures give similar vibrational spectra: The case of OH- in aqueous solution. Journal of Chemical Physics, vol. 138, ss. 064503- [doi:10.1063/1.4775589] [More information]
Hellström, M., Spångberg, D., Hermansson, K., Broqvist, P. (2012). Cu dimer formation mechanism on the ZnO(10(1)over-bar0) surface. Physical Review B. Condensed Matter and Materials Physics, vol. 86, ss. 235302- [doi:10.1103/PhysRevB.86.235302] [More information]
Hu, S., Li, S., Ahuja, R., Granqvist, C., Hermansson, K. et al. (2012). Optical properties of Mg-doped VO2: Absorption measurements and hybrid functional calculations. Applied Physics Letters, American Institute of Physics (AIP). vol. 101, ss. 201902- [doi:10.1063/1.4766167] [More information]
Kullgren, J., Hermansson, K., Castleton, C. (2012). Many Competing Ceria (110) Oxygen Vacancy Structures: From Small to Large Supercells. Journal of Chemical Physics, vol. 137, ss. 044705- [doi:10.1063/1.4723867] [More information]
Probst, M., Injan, N., Megyes, T., Bako, I., Balint, S. et al. (2012). A gold cyano complex in nitromethane: MD simulation and X-ray diffraction. Chemical Physics Letters, vol. 539, ss. 24-29 [doi:10.1016/j.cplett.2012.04.044] [More information]
Raymand, D., Jacobsson, J., Hermansson, K., Edvinsson, T. (2012). Investigation of Vibrational Modes and Phonon Density of States in ZnO Quantum Dots. The Journal of Physical Chemistry C, vol. 116, ss. 6893-6901 [doi:10.1021/jp300985k] [More information]
Zhansheng, L., Kullgren, J., Yang, Z., Hermansson, K. (2012). Sulfidation of ceria surfaces from sulfur and sulfur diffusion. The Journal of Physical Chemistry C, vol. 116, ss. 8417-8425 [doi:10.1021/jp2092913] [More information]
Kersti, H., Bopp, P., Spångberg, D., Pejov, L., Mitev, P. (2011). The vibrating hydroxide ion in water. Chemical Physics Letters, vol. 514, ss. 1-15 [doi:10.1016/j.cplett.2011.07.042] [More information]
Lu, Z., Müller, C., Yang, Z., Hermansson, K., Kullgren, J. (2011). SOx on ceria from adsorbed SO2. Journal of Chemical Physics, vol. 134, ss. 184703- [doi:10.1063/1.3566998] [More information]

Uppsala University