High-throughput calculations of catalytic properties of bimetallic alloy surfaces

HIGHLIGHTS

• who: Osman Mamun from the (UNIVERSITY) have published the Article: High-throughput calculations of catalytic properties of bimetallic alloy surfaces, in the Journal: (JOURNAL) of 17/04/2019
• what: The authors propose that a collection of catalytic properties of this magnitude can assist with the development of machine_learning enabled surrogate models in theoretical catalysis research to design robust catalysts with high activity for challenging chemical transformations. To illustrate the validity of the data, the authors compare the lattice constant reported in reputed journal Articles to the computed lattice constant.
• how: For L10 structures . . .
  

   

  

  If you want to have access to all the content you need to log in!

  Thanks :)

  Username or E-mail:

  If you don't have an account, you can create one here.