Scaling relationships are theoretical constructs that relate the binding energies of a wide
variety of catalytic intermediates across a range of catalyst surfaces. Such relationships are …

Edges are special sites in nanomaterials. The atoms residing on the edges have different
environments compared to those in other parts of a nanomaterial and, therefore, they may …

Scanning tunneling microscopy (STM) has gained increasing attention in the field of
electrocatalysis due to its ability to reveal electrocatalyst surface structures down to the …

Within the area of surface science, one of the “holy grails” is to directly visualize a chemical
reaction at the atomic scale. Whereas this goal has been reached by high-resolution …

A tunable bandgap without doping is highly desirable for applications in optoelectronic
devices. Herein, we develop a new method which can tune the bandgap without any doping …

Oxide materials at the two-dimensional limit, in particular in the form of ultrathin films of
oxides (UTOx) grown on metal surfaces, represent promising materials in view of both …

Metal-oxide clusters,(MO2) n, have been widely studied along the years by experimental
and theoretical techniques, however, our atomistic knowledge is still far from satisfactory for …

Identifying the active sites and reaction kinetics for a catalytic reaction can provide significant
insight into the catalytic systems. By use of DFT calculations, the catalytic activity of FeO/Pt …

The rational design and controlled construction of active centers remain grand challenges in
heterogeneous catalysis, in particular for oxide catalysts with complex surface and interface …

Ultrathin (monolayer) films of transition metal oxides grown on metal substrates have
recently received considerable attention as promising catalytic materials, in particular for low …