News
-
Thermoelectric transport in molecular crystals driven by gradients of thermal electronic disorder
Thermoelectric materials convert a temperature gradient into a voltage. This phenomenon is relatively well understood for inorganic materials but much less so for organic semiconductors (OSs). These materials present a […]
-
Electron-molecule collision calculations: a primer
Caption: Electron collisions with molecular nitrogen: why the big spike at 2 eV? Electron–molecule collisions drive many natural phenomena and are playing an increasing role in modern technologies. Over recent […]
-
Global Optimization of Molybdenum Subnanoclusters on Graphene: A Consistent Approach toward Catalytic Applications
The design of novel subnanometer cluster (SNC) catalysts with enhanced catalytic properties necessitates precise control over the clusters’ size, shape, and deposition onto surfaces. However, the inherent complexity of the […]