Ammonia Synthesis from First-Principles Calculations

By Karoliina Honkala, Anders Hellman, I. Remediakis, Á. Logadóttir, Anna-Carin C. Carlsson, Søren Dahl, Claus H. Christensen, Jens K. Nørskov. Science, 2005

1,150 citations recorded by the source corpus.

Subfields: Catalysis, Computer Networks and Communications, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/4820ca88c49bd6450ef7ddf999ae2e5c5ed40b9a

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Catalysis

1. Jens K. Nørskov
2. Thomas Bligaard
3. Xin-bo Zhang
4. Jun-min Yan
5. Jeff Greeley

In Organic Chemistry

1. Xin-bo Zhang
2. Jens K. Nørskov
3. Q. Jiang

Citations in the corpus

• Advanced catalysts for sustainable hydrogen generation and storage via hydrogen evolution and carbon dioxide/nitrogen reduction reactions (2018, background): “95 kJ mol (1)) [453], and the absence of permanent dipole of the triple bond, the synthesis conditions of NH3 using N2 is extremely harsh, such as high temperature and pressure.”
• CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends (2015, background): “At the high temperatures typical of most heterogeneously catalyzed reactions on metal surfaces, mean-field kinetic models are often found to describe the kinetics semiquantitatively, and there are a number of cases where it has been shown to describe trends in reactivity from one catalyst to the nex”