Published July 29, 2024 | Version v1

Multistep screening of transition metal based homonuclear double atom catalysts to unravel the electronic origin of their activity and selectivity challenges for nitrogen reduction.

Description

We have uploaded input and output files of studied TM2@TCNQ catalysts and NRR intermediates

Files

Files (1.8 GB)

Name Size
md5:c959126c322f0a0e53bb5550b2b7f2d8
1.8 GB Download