QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: GJK on March 2, 2014, 17:19

Title: Gold Electrode-reg
Post by: GJK on March 2, 2014, 17:19

Kindly explain me why we always prefer Au(111) by surface cleave for electrode configurations.Can we change the hkl for gold electrode configuration?

Thanks in advance

Title: Re: Gold Electrode-reg
Post by: Umberto Martinez on March 3, 2014, 08:22

The Au(111) surface is more stable than the (100) or the (110) surface (lower surface energy), which is true for most of the fcc metals.

However, depending on the experimental conditions or on how the surface is cleaved and so on, you can expect the (100) or the (110) surface, vicinal surfaces, reconstructed surfaces, ...
You can find references about Au(100) electrodes for example.

Of course in VNL you can chose the hkl indices by using the surface cleave plugin in the Builder and build whatever electrode you wish!

Title: Re: Gold Electrode-reg
Post by: GJK on March 3, 2014, 18:29

Thank you Mr.Martinez