[LA-SiGMA] LASiGMA Seminar Wednesday, December 4th - Dr. Noa Marom, 3:30pm at Louisiana State University

[sjlee at cct.lsu.edu]

Dear All,

Dr. Noa Marom of the Tulane University will be giving a seminar
Wednesday, December 4hth at 3:30pm in 1008B at the Digital Media Center at
the Louisiana State University. The title of her talk is "The  
Electronic Structure of Dye-Sensitized TiO2 Clusters."

Abstract:

The development of solar cells is driven by the need for clean and  
sustainable energy. Organic and dye sensitized cells (DSC) are  
considered as promising alternatives for traditional single crystal  
silicon cells, particularly for large area, low cost applications.  
However, the efficiency of such cells is still far from the  
theoretical limit.

First-principles quantum mechanical simulations may be used for  
computer-aided design of new materials, material combinations, and  
nano-structures for more efficient organic and dye-sensitized cells.  
To this end, it is important to obtain an accurate description of the  
electronic structure, including the fundamental gaps and energy level  
alignment at interfaces. This requires a treatment beyond ground-state  
density functional theory (DFT). Within the framework of many-body  
perturbation theory (MBPT), these properties may be calculated using  
the GW approximation, where G is the one-particle Green's function and  
W is the dynamically screened Coulomb potential.

In this talk I will provide an introduction to GW methods and  
demonstrate their applications to the components of organic and  
dye-sensitized solar cells: TiO2 clusters [1], organic semiconductors  
[2,3], dyes [4,5], and dye-sensitized TiO2 clusters [6,7].

References:
[1] N. Marom, M. Kim, and J. R. Chelikowsky, Phys. Rev. Lett. 108,  
106801 (2012)
[2] T. Körzdörfer and N. Marom, PRB 86, 041110(R) (2012)
[3] N. Marom, F. Caruso, X. Ren, O. Hofmann, T. Körzdörfer, J. R.  
Chelikowsky, A. Rubio, M. Scheffler, and P. Rinke, PRB 86 245127 (2012)
[4] N. Marom, X. Ren, J. E. Moussa, J. R. Chelikowsky, and L. Kronik,  
Phys. Rev. B 84, 195143 (2011)
[5] E. Salomon, P. Amsalem, N. Marom, M. Vondracek, L. Kronik, N.  
Koch, and T. Angot, Phys. Rev. B 87 075407 (2013)
[6] N. Marom, J. E. Moussa, X. Ren, A. Tkatchenko, and J. R.  
Chelikowsky, Phys. Rev. B 84, 245115 (2011)
[7] N. Marom, T. Körzdörfer, X. Ren, A. Tkatchenko, and J.R.  
Chelikowsky, to be published

Biography:

Noa Marom received her Ph.D. in 2010 from the Weizmann Institute of  
Science in her home country of Israel. She was awarded the Shimon  
Reich Memorial Prize of Excellence for her thesis, titled “A First  
Principles Description of the Electronic Structure of Organic  
Semiconductors”. Before joining the Physics and Engineering Physics  
Department at Tulane she pursued postdoctoral research at the  
Institute for Computational Engineering and Sciences (ICES) at the  
University of Texas at Austin. Her field of research is computational  
materials science. She is particularly interested in the electronic  
properties of the organic-inorganic interfaces, found in organic and  
dye-sensitized solar cells, and in van der Waals interactions in  
molecular crystals and other weakly bound systems. She is working  
toward computational design of materials, interfaces, and  
nanostructures.

Please note, due to technical difficulties this seminar will ONLY be
available via abobe connect. Please click on the link provided:
<http://connect.lsu.edu/la-sigma/

UNO - Liberal Arts Building 234

LATech - PML 1015, Center for Instructional Technology, at the Wyly Tower

Please see attached flyer and let me know if you have any questions.


Regards,

Shelley Lee

Project Coordinator

225-578-0465




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