MXene Materials for the Electrochemical Nitrogen Reduction—Functionalized or Not?

By Luke R. Johnson, Sudiksha Sridhar, Liangle Zhang, K. Fredrickson, Abhinav S. Raman, Joonbaek Jang, C. Leach, Ashwin Padmanabhan, Christopher C. Price, Nathan C Frey and 5 more. ACS Catalysis, 2019

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We use density functional theory calculations to study a group of 2D materials known as MXenes toward the electrochemical nitrogen reduction reaction (NRR) to ammonia. So far, all computational stu...

Subfields: Catalysis, Materials Chemistry, Renewable Energy, Sustainability and the Environment

View Paper: https://www.semanticscholar.org/paper/82fdffb4c07baf86bef5775391ea3508a547aa3e