Cancelled: PHYS brown bag seminar: Hybrid Noble Metal Clusters: Building Blocks for Novel Nanomaterials

Note this event has been cancelled.

Presenter: Xi Chen (Computational Electronic Structure Theory Group, Department of Applied Physics, Aalto University)

Abstract:

Hybrid Organic-metal clusters play an increasingly important role in physics, chemistry, biology and nanotechnology, because they hold great potential for applications, such as electronic devices, catalysis, biochemical sensing and even medical treatment. Despite the field’s rapid growth, the limited atomic-level knowledge of the clusters constrains the further development of such hybrid clusters. In this talk, I will show how we used different computational methods, such as density functional theory (DFT), time-dependent DFT and molecular dynamics to study the atomic structures [1] and the electronic [2,3], optical [1,3] and catalytic [4] properties of these clusters.  Our work provides insight into the rational design of hybrid organic-metal clusters with tailormade properties.

[1]  X. Chen, E. Makkonen, D. Golze et al., “Silver-Stabilized Guanine Duplex: Structure and Optical Properties”. JPCL 9, 4789 (2018).

[2]  J. Koivisto, X. Chen, T. Lahtinen et al., “Acid–Base Properties and Surface Charge Distribution of the Water-Soluble Au 102 (pMBA) 44 nanocluster”.  JPCC 120, 10041 (2016).

[3]  H. Yang, Y. Wang, X. Chen et al., “ Plasmonic twinned silver nanoparticles with molecular precision”. Nature Communication 7, 12809 (2016).

[4]  X. Chen and H. Häkkinen, “Protected but Accessible: Oxygen Activation by a Calixarene-Stabilized Undecagold Cluster”.  JACS 135, 12944 (2013).

Join us for science and pizza in the Nanotalo lobby!