20.11.2018 - Annika Bande - Dynamics on the Quantum Scale

In theoretical soft matter physics the motion of large ensembles of nuclei is simulated. But if light is causing first a local, electronic response in the system, which in turn might affect the nuclear motion, then electron dynamics might be the necessary first step for computations.

Electron dynamics signifies a quantum mechanical calculation in which the deterministic time-dependent Schrödinger equation is solved. I will review in this presentation the respective theory and show two quite orthogonal applications of electron dynamics from the field of quantum dots. One is directed towards larges systems and towards describing the electron transfer from a quantum dot, in this case graphene oxide, to a molecule of its aqueous environment [1,2]. The other is an energy transfer process, the inter-Coulombic decay, among two neighboring quantum dots, in which excitation energy of one electron becomes available to ionize the other [3-5].

[1] J. Ren, F. Weber, F. Weigert, Y. Wang, S. Choudhury, J. Xiao, I. Lauermann, U. Resch-Genger, A. Bande, T. Petit, "Influence of surface chemistry on optical, chemical and electronic properties of blue luminescent carbon dots", submitted.
[2] F. Weber, J. Ren, T. Petit, A. Bande, "Local X-Ray Absorption Spectroscopy Database Analysis for Oxidized 2D Carbon Nanomaterials", submitted.
[3] A. Haller, A. Bande, "Favoritism of Quantum Dot Inter-Coulombic Decay over Direct and Multi-Photon Ionization by Laser Strength and Focus", J. Chem Phys. 149, 134102 (2018).
[4] A. Haller, Y.-C. Chiang, M. Menger, E. F. Aziz, A. Bande, “Strong Field Control of the Interatomic Coulombic Decay Process in Quantum Dots”, Chem. Phys. 482, 135-145 (2017).
[5] A. Bande, “Electron Dynamics of Interatomic Coulombic Decay in Quantum Dots Induced by a Laser Field”, J. Chem. Phys. 138, 214104, 1-11 (2013).

See poster.