Resonance-Coordinated Active Sites in the Catalytic Synthesis of Ammonia - Conference attendances | Sciact - CRIS-system of Boreskov Institute of Catalysis

Resonance-Coordinated Active Sites in the Catalytic Synthesis of Ammonia Conference attendances

Language

Английский

Participant type

Устный

Conference

XI International Conference Mechanisms of Catalytic Reactions
07-11 Oct 2019 , Сочи

Authors

Cholach Alexander Romanovich ¹ , Bryliakova Anna Aleksandrovna ¹

Affiliations

1	Boreskov Institute of Catalysis SB RAS

The strong Mo-N bond restrains the catalytic activity of metallic Mo in ammonia synthesis. The semi-empirical and density functional theory calculations in conjunction with the Brønsted-Evans-Polanyi relationship and microkinetic modeling were used to evaluate the rate of ammonia synthesis on model active sites of Mo-based alloys, nitrides, and clusters with a modified Mo-N bond. The design of tailor-made catalytic sites can probably be applied to other catalytic systems.

Cholach A.R. , Bryliakova A.A.
Resonance-Coordinated Active Sites in the Catalytic Synthesis of Ammonia
XI International Conference Mechanisms of Catalytic Reactions 07-11 Oct 2019