6 citations · 7 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2023★ 6 cited
In-Silico Characterization of Nanoparticle Catalysts
Björn Kirchhoff, Christoph Jung, Daniel Gaissmaier +3
Nanoparticles (NPs) make for intriguing heterogeneous catalysts due to their large active surface area and excellent and often size-dependent catalytic properties that emerge from…
physics.chem-ph2023★ 1 cited
On the challenge of obtaining an accurate solvation energy estimate in simulations of electrocatalysis
Björn Kirchhoff, Elvar Örn Jónsson, Timo Jacob +1
The effect of solvent on the free energy of reaction intermediates adsorbed on electrocatalyst surfaces can significantly change the thermochemical overpotential, but accurate calc…