MODEL FOR THE ELECTROSTATIC RESPONSE OF THE COPPER-WATER INTERFACE

We present a model for the electrostatic response of the copper-water interface, which takes into account the electronic, Stern layer, and d ouble layer contributions. The electronic and Stern layer contribution s are not separated, but are modeled together using a direct dynamics model of the copper-water interface which we introduced earlier. The b oundary condition for the double layer contribution is chosen to be co nsistent with electric fields calculated explicitly from the molecular dynamics simulation. We find results which are consistent with some e xperimental results for the capacitance of the low-index surfaces of c opper. A remarkable feature of the results is that the calculated macr oscopic electric field is much more effectively screened near the inte rface than it is in classical molecular dynamics models. (C) 1998 Amer ican Institute of Physics. [S0021-9606(98)70441-6]