Computational Design of Active Site Structures with Improved Transition-State Scaling for Ammonia Synthesis

Authors

Aayush Singh,

Joseph H. Montoya,

Brian Andrew Rohr,

Charlie Tsai ,

Aleksandra Vojvodic,

Jens K. Nørskov

Year of publication

2018

Journal

ACS Catalysis

Issue

5

Volume

8

Starting page

4017

Ending page

4024

Research Areas

Synthetic fuels and chemicals,

Heterogeneous catalysis,

Electrocatalysis,

Electrochemical fuels

Funding sources

SUNCAT People

Joseph H. Montoya,

Brian Andrew Rohr,

Aleksandra Vojvodic,

Jens K. Nørskov