COLL 332 |
| Electron transfer across molecular/bulk interfaces is the subject of active research, creating many challenges due to the stark differences between the quantum states of molecules and periodic systems, as well as the often disparate sets of theories and experimental tools used by chemists and physicists. Charge transport across the interface remains is a key to such fields as molecular electronics, photo-catalysis, electrolysis, and photo-voltaics. We have developed state-of-the-art non-adiabatic molecular dynamics techniques and implemented them within time-dependent density functional theory in order to model the ultrafast photoinduced processes in nanoscale materials at the atomistic level, and in real time. The theoretical studies provide an exclusive perspective on the photoinduced interfacial transfer dynamics. |
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Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials
2:00 PM-5:40 PM, Tuesday, April 8, 2008 Morial Convention Center -- Rm. 226, Oral
Division of Colloid & Surface Chemistry |