Ontology highlight
ABSTRACT:
SUBMITTER: Liu JC
PROVIDER: S-EPMC5913218 | biostudies-literature | 2018 Apr
REPOSITORIES: biostudies-literature
Nature communications 20180423 1
The current industrial ammonia synthesis relies on Haber-Bosch process that is initiated by the dissociative mechanism, in which the adsorbed N<sub>2</sub> dissociates directly, and thus is limited by Brønsted-Evans-Polanyi (BEP) relation. Here we propose a new strategy that an anchored Fe<sub>3</sub> cluster on the θ-Al<sub>2</sub>O<sub>3</sub>(010) surface as a heterogeneous catalyst for ammonia synthesis from first-principles theoretical study and microkinetic analysis. We have studied the wh ...[more]