QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: sweta on June 21, 2013, 08:50

Title: force required to break S-Cu bond
Post by: sweta on June 21, 2013, 08:50

Hi,

As we know the value of force required to break S-Au bond is about 1.5nN in molecular junctions. Likewise what is the value of force required to break S-Cu bond?

Title: Re: force required to break S-Cu bond
Post by: zh on June 21, 2013, 14:43

You may first check the literature for the answer of such question. If there is no available data, you had better do the calculations by yourself to find out the answer. You may construct a system with a S-Cu bond and then do a serials of calculations for such system with different S-Cu bond lengths.