Pennsylvania State University

DFT Analysis of Elementary N2 Electro-Reduction Kinetics on Transition Metal Surfaces
Presentation

DFT Analysis of Elementary N2 Electro-Reduction Kinetics on Transition Metal Surfaces

Sharad MaheshwariYawei LiMichael JanikGholamreza RostamikiaLauren F. GreenleeJulie Renner

Ammonia is currently produced through the catalytic Haber Bosch process (HB) at temperatures of about 300 to 500 °C and pressure of about 200-300 atm. In a future with plentiful renewable electricity from distributed sources, an electro-chemical system to produce ammonia could efficiently generate ammonia on site and on demand. Possible heterogeneous catalysts for electro-chemical nitrogen reduction are currently marred by the poor rate and selectivity due to difficulty in activating the strong N-N bond and to the competing hydrogen evolution reaction (HER), resulting in infeasible faradaic efficiency. To develop more selective and active catalysts, better understanding of the mechanistic…

Enhanced Electrochemical Ammonia Production Via Peptide-Bound Metal
Presentation

Enhanced Electrochemical Ammonia Production Via Peptide-Bound Metal

Charles LoneyJulie RennerDavid SuttmillerLauren F. GreenleeMichael Janik

Approximately half of the people on the planet are alive because of synthetically produced ammonia. However, due to the fossil fuels used in the current ammonia synthesis process, its production contributes a significant amount to the world’s greenhouse gas emissions. Haber-Bosch synthesis, which is the most widely used method of producing synthetic ammonia today, requires high temperatures (400-500 °C) and pressures (150-200 atm). This process is also energy intensive, consuming approximately 2% of worldwide energy. By taking an electrochemically-based approach to ammonia synthesis, those harsh conditions and emissions can be eliminated. However, current catalysts are not selective for the desired…