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2016 Mesilla Chemistry Workshop

January 30 - February 3, 2016

"Electrochemical Processes: Photovoltaics and Charge Transfer in Nanomaterials"

Organizers:

Keith J. Stevenson, Department of Chemistry, The University of Texas at Austin

John Grey, Department of Chemistry & Chemical Biology, The University of New Mexico

Sergei Tretiak, Theoretical Chemistry & Molecular Physics, Los Alamos National Laboratory

Meeting Site:

Double Eagle Restaurant on the Mesilla Plaza  

Website:

hase-group.ttu.edu/mesilla/ 

Support:

New Mexico State University

Texas Tech University

The Robert Welch Foundation

Schedule:

Saturday, January 30
7:00 pm - 9:00 pm

Reception and welcome

Sunday, January 31

7:30 am - 8:30 am

Breakfast

9:00 am - 12:30 pm

Session 1

Discussion Leader:

9:00 am - 9:30 am

James McCusker (MSU)

"Adventures with Iron: Challenges and Opportunities with First Row Transition Metal-based Chromophores for Light Harvesting and Sensitization"

9:30 am - 9:40 am

Discussion

9:40 am - 10:10 am

Graeme Henkelman (UT, Austin)

"Correlating Structure and Function of Nanoparticle Catalysts"

10:10 am - 10:20 am

Discussion

10:20 am

Coffee Break

10:40 am - 11:10 am

De-en Jiang (UCR)

"Understanding Electrochemical Double-Layer Capacitors"

11:10 am - 11:30 am

Discussion

11:30 am - 12:10 pm

Anabella Selloni (Princeton)

"Electrons and Holes at the TiO2-water Interface"

12:10 pm - 12:30 pm

Discussion

12:30 pm

Lunch

1:30 pm - 6:00 pm

Free Time

6:00 pm

Dinner

7:30 pm - 9:40 pm

Session 2

Discussion Leader:

7:30 pm - 8:00 pm

Aditya Mohite (LANL)

"Hybrid Perovskite Solar Cells: Opportunities and Challenges"

8:00 pm - 8:05 pm

Discussion

8:05 pm - 8:30 pm

Dave Waldeck (Univ. of Pittsburg)

"Charge Transfer in Nanoparticle Assemblies: Energy and Electric Field Effects"

8:30 pm - 8:35 pm

Discussion

8:35 pm - 9:00 pm

Stephen Maldonado (Univ. of Michigan)

"Dye-Sensitized Photocathodes Based on Nanostructured III-V Semiconductors"

9:00 pm - 9:05 pm

Discussion

9:05 pm - 9:30 pm

Alexie Kolpak (MIT)

"Understanding the Effects of Electronic and Ionic Charge Transfer at Oxide-water Interfaces for Oxygen Evolution and Reduction"

9:30 pm - 9:40 pm

Discussion

Monday, February 1

7:30 am - 8:30 am

Breakfast

9:00 am - 12:30 pm

Session 3

Discussion Leader:

9:00 am - 9:30 am

Gary Rumbles (NREL)

"Controlling Charge Carrier Generation in Neat Conjugated Polymers using Microstructure Control"

9:30 am - 9:40 am

Discussion

9:40 am - 10:10 am

Andriy Zhugayevych (Skoltech)

"First-principle Effective Hamiltonian Modeling of Charge and Energy Transfer in Molecular Systems"

10:10 am - 10:20 am

Discussion

10:20 am

Coffee Break

10:40 am - 11:10 am

Alex Ayzner (UCSC)

"Using Decay of Core-Excited States to Study Ultrafast Intra- and Inter-Molecular Electron Transfer in Organic Semiconductors"

11:10 am - 11:30 am

Discussion

11:30 am - 12:10 pm

Arthur Bragg (Johns Hopkins)

"Time-resolved Raman Spectroscopy of Polymer Aggregate Polaron Pairs"

12:10 pm - 12:30 pm

Discussion

12:30 pm

Lunch

1:30 pm - 6:00 pm

Free Time

6:00 pm

Dinner

7:30 pm - 9:40 pm

Session 4

Discussion Leader:

7:30 pm - 8:00 pm

Jeffrey Neaton (UCB)

"Excited States and Carrier Dynamics in Energy-Relevant Materials from First Principles"

8:00 pm - 8:05 pm

Discussion

8:05 pm - 8:30 pm

David Vanden Bout (UT Austin)

"Intrachain and Interchain interaction in Single Conjugated Polymers and Aggregates"

8:30 pm - 8:35 pm

Discussion

8:35 pm - 9:00 pm

Adam Willard (MIT)

"The Nanoscale Dynamics of Charge-transfer States at the Organic Donor-acceptor Interface"

9:00 pm - 9:05 pm

Discussion

9:05 pm - 9:30 pm

Remi Beaulac (MSU)

"Modulating the Efficiency of Photoinduced One-Electron Transfer Processes in Nitroxide Free Radicals and Quantum Dots Electron-Donor/Acceptor Dyads"

9:30 pm - 9:40 pm

Discussion

Tuesday, February 2

7:30 am - 8:30 am

Breakfast

9:00 am - 12:30 pm

Session 5

Discussion Leader:

9:00 am - 9:30 am

John Grey (UNM)

"Effect of Structural Order on Exciton Coupling and Dynamics in Conjugated Polymer Aggregates"

9:30 am - 9:40 am

Discussion

9:40 am - 10:10 am

Xiaosong Li (Univ. of Washington)

"Exciton Transfer, Trapping, and Recombination from First Principle Electronic Dynamics"

10:10 am - 10:20 am

Discussion

10:20 am

Coffee Break

10:40 am - 11:10 am

John Asbury (Penn State Univ.)

"Ultrafast Infrared Spectroscopy of Electronic Processes in Fully Conjugated Block Copolymer Photovoltaics"

11:10 am - 11:30 am

Discussion

11:30 am - 12:10 pm

Hans Lischka (TTU)

"Excitonic Coupling and Charge Transfer in Organic Semiconductor Polymers: Ab Initio and Density Functional Calculations"

12:10 pm - 12:30 pm

Discussion

12:30 pm

Lunch

1:30 pm - 3:30 pm

Free Time

3:30 pm - 5:50 pm

Session 6

Discussion Leader:

3:30 pm - 4:00 pm

Oleg Prezhdo (USC)

"Photoinduced Processes in Nanoscale Materials: Non-adiabatic Molecular Dynamics Studies"

4:00 pm - 4:10 pm

Discussion

4:10 pm - 4:40 pm

Michael Arnold (Univ. of Wisconsin)

"Energy and Charge Transfer in Disordered and Ordered Assemblies of Semiconducting Carbon Nanotubes"

4:40 pm - 4:50 pm

Discussion

4:50 pm - 5:00 pm

Oliver Monti (Univ. of Arizona)

"Hybridization and Charge Transfer at Organic/Inorganic Hybrid Interfaces"

5:00 pm - 5:10 pm

Discussion

5:10 pm - 5:40 pm

Sergei Tretiak (LANL)

"A Journey to the Land of Excited state Dynamics in Organic Semiconductors"

5:40 pm - 5:50 pm

Discussion

6:30 pm

Drinks and group discussion

7:30 pm - 9:30 pm

Dinner at Double Eagle

Wednesday, February 3

7:30 am - 8:30 am

GOOD BYE