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

[shelley lee]

Dear All,

As a reminder, Dr. Noa Marom of the Tulane University will be giving a
seminar today 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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