Chemical Catalysis, Photo-catalysis and Electro-catalysis

Prof. Suljo Linic from the University of Michigan has been a Hans Fischer Fellow since 2014. Prof. Karsten Reuter from the TUM Chair of Theoretical Chemistry and Prof. Ulrich Heiz from the TUM Chair of Physical Chemistry were hosting this Focus Group.

The Linic Research Group applies first principles theoretical (electronic structure DFT calculations, ab initio kinetic and thermodynamic simulations) and various experimental tools (surface science, in-situ reactor studies, electron microscopy, et cetera) to study chemical transformations on surfaces. The central objective of the group's work was the development of predictive theories of surface chemistry related to heterogeneous catalysis, electro-catalysis and photo-electro-catalysis.

The central goal of the here proposed stay of Professor Linic at TUM and our joint studies is to identify the microscopic processes that govern plasmon-induced photo-chemistry on optically excited plasmonic metal nanoparticles and to develop the knowhow to control these processes through the design of optimized three-dimensional plasmonic materials. These fundamental studies are crucial to move the field forward towards a more rational and systematic design of plasmonic catalysts.

TUM-IAS funded doctoral candidate:
Simon Rittmeyer (PhD in 2017), Theoretical Chemistry

Publications by the Focus Group

2019

  • Chavez, Steven; Rao, Vishal Govind; Linic, Suljo: Unearthing the factors governing site specific rates of electronic excitations in multicomponent plasmonic systems and catalysts. Faraday Discussions, 2019 mehr…

2018

  • Aslam, Umar; Rao, Vishal Govind; Chavez, Steven; Linic, Suljo: Catalytic conversion of solar to chemical energy on plasmonic metal nanostructures. Nature Catalysis 1 (9), 2018, 656-665 mehr…
  • Chavez, Steven; Aslam, Umar; Linic, Suljo: Design Principles for Directing Energy and Energetic Charge Flow in Multicomponent Plasmonic Nanostructures. ACS Energy Letters 3 (7), 2018, 1590-1596 mehr…
  • Rao, Vishal Govind; Aslam, Umar; Linic, Suljo: Chemical Requirement for Extracting Energetic Charge Carriers from Plasmonic Metal Nanoparticles to Perform Electron-Transfer Reactions. Journal of the American Chemical Society 141 (1), 2018, 643-647 mehr…

2017

  • Rittmeyer, Simon P.; Bukas, Vanessa J.; Reuter, Karsten: Energy dissipation at metal surfaces. Advances in Physics: X 3 (1), 2017, 1381574 mehr…
  • Rittmeyer, Simon P.; Meyer, Jörg; Reuter, Karsten: Nonadiabatic Vibrational Damping of Molecular Adsorbates: Insights into Electronic Friction and the Role of Electronic Coherence. Physical Review Letters 119 (17), 2017 mehr…
  • Rittmeyer, Simon Philipp: Non-Adiabatic Effects in Gas-Surface Dynamics. Dissertation, 2017 mehr…

2016

  • Rittmeyer, Simon P.; Ward, David J.; Gütlein, Patrick; Ellis, John; Allison, William; Reuter, Karsten: Energy Dissipation during Diffusion at Metal Surfaces: Disentangling the Role of Phonons versus Electron-Hole Pairs. Physical Review Letters 117 (19), 2016 mehr…