QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: njuxyh on July 16, 2015, 04:30

Title: can charged electrode simulate effect of ionic solution on the metal electrode
Post by: njuxyh on July 16, 2015, 04:30

Hi everyone:

recently, i saw a experimental paper, they did a experiment, the gold electrodes in contact with an ionic solution,  and i want to simulate such a situation, so i am wondering how to include the effect of ionic solution on the metal electrode in atk?

thanks very much !

Title: Re: can charged electrode simulate effect of ionic solution on the metal electrode
Post by: zh on July 17, 2015, 11:39

The simulation of liquid/solid interface is not easy. If you have sufficient computing resource, you might consider explicitly the ionic solution into your simulation system. But the computing cost might be very heavy.