10 citations · 17 across the 8 of their papers we have counts for
3 papers · 1 filter
Hydrogen Activation via Dihydride Formation on a Rh1/Fe3O4(001) Single-Atom Catalyst
Chunlei Wang, Panukorn Sombut, Lena Puntscher +10
Hydrogen activation is a key elementary step in catalytic hydrogenation. In heterogeneous catalysis, it usually proceeds through dissociative adsorption on metal nanoparticles foll…
Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level Accuracy
Sita Schönbauer, Johanna P. Carbone, Fredrik V. Eriksson +2
We investigate Machine-Learned Force Fields (MLFFs) trained on approximate Density Functional Theory (DFT) and Coupled Cluster (CC) level potential energy surfaces for the carbon d…
Corrugation-dominated mechanical softening of defect-engineered graphene
Wael Joudi, Rika Saskia Windisch, Alberto Trentino +7
We measure the two-dimensional elastic modulus of atomically clean defect-engineered graphene with a known defect distribution and density in correlated ultra-high va…