QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: namrata on October 25, 2009, 08:34

Title: passivation of dangling bonds
Post by: namrata on October 25, 2009, 08:34

i wanted to know if there is some script to selectively passivate the dangling in the surface region of the electrodes ???

Title: Re: passivation of dangling bonds
Post by: zh on October 26, 2009, 01:36

Please try to use the "Molecular Builder" module in VNL to selectively passivate the dangling bond. In particular, use the Geometry Manager tool.