Dataset - B2FIND

Evaluation of photocatalysts for water splitting through combined analysis of...

To examine whether suitable conditions occur for the water splitting reaction at their interfaces with liquid water, we determine the pH-dependent surface coverage for a series...
MD trajectories of semiconductor-water interfaces and relaxed atomic structur...

This entry includes the MD trajectories of several semiconductor-water interfaces generated with ab initio molecular dynamics using the rVV10 density functional at the...

You can also access this registry using the API (see API Docs).

2 datasets found