Coupling of Mechanics and Reakctivity

Contact: Jörg Weißmüller

The elastic deformation of the matter at surfaces affects the surface electronic band structure and the surface dipole. Thereby, the surface mechanics is coupled to the work function, to then enthalpies of adsorption, and to the catalytic activity. The phenomenology remains largely unexplored. Along with the underlying microscopic processes it is the subject of current research. Closely linked to the question of surface electro-chemo-mechanical coupling are open issues relating to the origin, magnitude, and consequences of capillary forces at solids surfaces, specifically in the presence of excess electric charge or of adsorbed species.


Selected Publications:


F. Weigend, F. Evers and J. Weissmüller
Structural Relaxation in Charged Metal Surfaces and Cluster Ions

Small 2 (2006) 1497

Y. Umeno, C. Elsässer, B. Meyer, P. Gumbsch, M. Nothacker, J. Weissmüller and F. Evers
Ab Initio Study of Surface Stress Response to Charging
Europhys. Lett. 78 (2007) 13001

M. Smetanin, D. Kramer, S. Mohanan, U. Herr and J. Weissmüller
Response of the Potential of a Gold Electrode to Elastic Strain
Physic. Chem. Chem. Phys. 11 (2009) 9008

J. Weissmüller, L. Kibler, R. Viswanath and D.M. Kolb
Impact of Surface Mechanics for the Reactivity of Electrodes
Physic. Chem. Chem. Phys. (2011)
DOI: 10.1039/C0CP01742F


 

Work function,, W, of differently oriented gold crystal surfaces versus the tangential strain, e. Ab-initio density functional theory (DFT).

Work function, W, of differently oriented gold crystal surfaces versus the tangen- tial strain, e. Ab-initio density functional theory (DFT). 

 

Response coefficient fort he coupling between the electrode potential, E, and the tangential strain, e, of a <111>-textured gold electrode surface in aqueous NaF solution. At sufficiently high frequency, he experiment agrees with the DFT data. Insert shows equivalent circuit modelling the mechanically excited electrochemical double layer.

Response coefficient fort he coupling between the electrode potential, E, and the tangential strain, e, of a <111>-textured gold electrode surface in aqueous NaF solution. At sufficiently high frequency, he experiment agrees with the DFT data. Insert shows equivalent circuit modelling the mechanically excited electrochemical double layer.