Abstract
The tuning of metal work function (WF) and potential of zero charge (PZC) through molecular self-assembly and nanostructuring has been trending. We have developed a generic theoretical approach to address the WF and PZC moderations due to organic molecular dipoles at the surface. Theory quantifies the electronic charge redistribution due to polarization through bonding between the metal/adsorbate and dipoles. The amount of charge reorganization at substrate surface is predicted to depend on the effective dipole moment (μN) of the adsorbing molecule. The formula obtained for planar surface is used to elaborate experimental observation for WF of Au electrode covered with various DTC (dithiocarbamate) linked rod shaped organic dipoles (−4.8 to +5.5 D). The charge reorganization is stronger for the molecules with positive end of net dipole toward the metal, i.e., 7–22% of electronic charge whereas for the negative pole toward the metal, it is <4%. The formula for a spherical metal nanoparticle predicts invers...
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
