/nanoelectronics
Staykov Lab
We apply the non-equilibrium Green's function (NEGF) fromlism to investigate the ballistic electron transport through nanoscale junctions and molecular junctions for application in the fields of nanoelectronics and molecular electronics. In our work we have defined fundamental properties at nanoscale that control the electron transport related to the wavefunction and its interaction with the electrodes and the applied electric field. We have indentified various mechanisms for control ot the electric current through short DNA molecules, nanographene junctions, and various molecules such as cyclophanes and diarylethenes. Our work extends to application of the NEGF method fof probing the electronic properties and surface reactivity of metal oxide surfaces. We also provide detailed understanding at atomistic scale for surface STM analysis.
Figure: The NEGF formalism applied to molecular junction.
Publications in the field of nanotelectronics

Effect of surface coverage and composition on the stability and interfacial dipole of functionalized silicon.  
K Kearney, A Iyer, A Rockett, A Staykov, E Ertekin  
J. Phys. Chem. C 2017 121, 11312-11318.

Photoswitching of conductance through salicylidene methylamine.  
A Staykov, M Watanabe, T Ishihara, K Yoshizawa.  
J. Phys. Chem. C 2014 118, 27539-27548.

Current Rectification in Mono-and Bilayer Nanographenes with Different Edges  
A Staykov, P Tzenov.  
J. Phys. Chem. C 2013 117, 3644-13653.

Current rectification in nitrogen-and boron-doped nanographenes and cyclophanes  
A Staykov, X Li, Y Tsuji, K Yoshizawa.  
J. Phys. Chem. C 2012 116, 18451-18459.

Conductance through short DNA molecules.  
A Staykov, Y Tsuji, K Yoshizawa. 
J. Phys. Chem. C 2011 115, 3481-3490.

Orbital views of the electron transport in molecular devices  
K Yoshizawa, T Tada, A Staykov.  
J. Am. Chem. Soc. 2008 130, 9406-9413.  
 
Theoretical study of donor− π-bridge− acceptor unimolecular electric rectifier  
A Staykov, D Nozaki, K Yoshizawa.  
J. Phys. Chem. C 2007 111, 11699-11705.  
 
Photoswitching of conductivity through a diarylperfluorocyclopentene nanowire  
A Staykov, D Nozaki, K Yoshizawa.  
J. Phys. Chem. C 2007 111, 3517-3521.