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Insights into the Thermodynamic Boundaries of Electrochemical Nitrogen Compound Conversion and Coupled Water Electrolysis
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DOI：10.1021/acsestengg.6c00007.png)
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Abstract
En 中文
Electrochemical conversion of nitrogen-containing species in aqueous media offers routes to sustainable production of ammonia (NH3), hydrazine (N2H4), and nitrate and also enables energy-saving-assisted water electrolysis. However, these processes operate within narrow thermodynamic windows because competing HER/OER often overlap with nitrogen conversion domains. Here, we establish a temperature- and pH-dependent thermodynamic framework by combining Pourbaix-diagram mapping with theoretical voltage benchmarks based on both the reversible potential (ERE, ΔG-derived) and the thermoneutral potential (ETN, ΔH-derived). Temperature-dependent Pourbaix diagrams (25–100 °C) are constructed to delineate equilibrium stability regions and quantify thermodynamic preference windows for NRR and NOxRR toward NH3, N2/NOx conversion toward N2H4, nitrogen oxidation to nitrate, and assisted water electrolysis using AOR and HzOR. By comparing ERE and ETN across relevant temperatures and phases (gaseous vs aqueous feedstocks), this analysis clarifies how operating conditions shift equilibrium boundaries and theoretical energy requirements while explicitly defining thermodynamic envelopes rather than kinetic selectivity. Overall, integrating ETN-based benchmarking with temperature-dependent Pourbaix mapping provides design-relevant thermodynamic constraints for scalable nitrogen conversion and nitrogen-assisted hydrogen production.
Keywords:
Electrolysis
Evolution reactions
Nitrogen
Thermodynamic properties
Thermodynamics
electrochemical energy conversion
Pourbaix diagram
electrochemical ammonia synthesis
nitrogen oxidation reaction
assisted-water electrolysis
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6.7
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1.2K
Citations:
4.6K
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