Title

Atomistic processes in   the (electro-)chemical energy conversion and storage: a theoretical   perspective

Reporter

Axel Groß

Reporter’s   institution

Institute of   Theoretical Chemistry, Ulm University, and Helmholtz Institute Ulm

Report time

2019年3月15日  15:00

Report location

Science and Technology Exhibition Hall on   the 1st floor of Hefei National Laboratory for Physical Sciences at the   Microscale

Organizer

Hefei National Laboratory for Physical   Sciences at the Microscale, International Center for Chemical Theory (ICCT), Overseas   Expertise Introduction Center for Discipline Innovation，School of Chemistry and Materials Science

Report introduction

Abstract:

Structures   and processes at surfaces and interfaces are often crucial for the   performance of functional materials. Understanding these processes on an   atomic level is not only scientifically challenging and interesting, but also   technologically relevant. In this talk I will illustrate how quantum   chemistry calculations can elucidate processes relevant in (electro-)   chemical energy storage and conversion. The examples include the   identification of possible descriptors for the dendrite growth in batteries   [1], rapid diffusion on crowded catalyst surfaces [2] and the influence of   the environment on the selectivity in electro- and heterogeneous catalysis   [3].

[1] M. Jäckle, K. Helmbrecht, M. Smits, D. Stottmeister, and A.   Groß, Energy Environ. Sci. 11, 3400-3407 (2018).

[2] A.-K. Henß, S. Sakong, P.K. Messer, J. Wiechers, R.   Schuster, D.C. Lamb, A. Groß, and J. Wintterlin, Science 363, 715-718 (2019).

[3] S. Sakong and A. Groß, ACS Catal. 6,  5575 (2016).

About the speaker:

Prof.   Axel Groß has been focusing on the first-principles characterization of   surface and interface related problems at atomic level. His interests range   from elementary surface reaction dynamics to interfacial (electro-) chemical   processes related to energy storage and conversion. He received Diploma of Physics   at University of Göttingen in 1990, and Ph. D degree of Physics at Technical   University of Munich in 1993. After that, he became a staff scientist at   Department of Theory, Fritz-Haber-Institute at Berlin from 1993 to 1998. He   took a faculty position of Physics Department at Technical University of   Munich at 1998 and moved to Ulm University in 2004 where he became a full   Professor and Director of the Institute of Theoretical Chemistry. He has also   been a PI and member of the board of directors of the Helmholtz Institute Ulm   – Electro-chemical Energy Storage since 2011. He was the Vice-President for   Research of Ulm University and Spokesperson of the Surface Science Section of   the German Physical Society. He has published over two hundred peer-reviewed   papers including those on Nature, Science, and Phys. Rev. Lett., and so on,   which have been cited by more than 8600 times (H-index=51). He delivered over   60 invited talks at internationally established conferences in the last ten   years.