Saturating with hydrogen

General Discussion
1

Hi,

I am trying to saturate the dangling bonds on a slab by hydrogens. in
build–>add hydrgen, the hydrogen is only added to one of the atoms and
then clicking on the others do not work.

Is there any other ways to do it?

Regards,

2

I am trying to saturate the dangling bonds on a slab by hydrogens. in build–>add hydrgen, the hydrogen is only added to one of the atoms and then clicking on the others do not work.

The “Add Hydrogens” menu item should add to all “missing” valences. That said, it’s not necessarily perfect. It has a set of empirical rules, largely determined by organic molecules. Could you share the slab or material you are trying to add hydrogens?

-Geoff

3

Hi,

I am trying to saturate the dangling bonds on a slab by hydrogens. in
build–>add hydrgen, the hydrogen is only added to one of the atoms and
then clicking on the others do not work.

Is there any other ways to do it?

Regards,

4

I am trying to saturate the dangling bonds on a slab by hydrogens. in build–>add hydrgen, the hydrogen is only added to one of the atoms and then clicking on the others do not work.

I thought I replied to this already. This should work – that is, the Build → Add Hydrogens command should add hydrogens to all missing valences. That said, the rules are derived mainly for organic molecules.

So can you send me an example surface?

Thanks very much,
-Geoff