5 years ago

Computational Screening of Rutile Oxides for Electrochemical Ammonia Formation

Computational Screening of Rutile Oxides for Electrochemical Ammonia Formation
Egill Skúlason, Árni B. Höskuldsson, Younes Abghoui, Anna B. Gunnarsdóttir
We present the results of a screening for possible catalysts, where density functional theory calculations were performed on 11 transition metal dioxides in the rutile structure.

Publisher URL: http://dx.doi.org/10.1021/acssuschemeng.7b02379

DOI: 10.1021/acssuschemeng.7b02379

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