Environmental and economic potential of decentralised electrocatalytic ammonia synthesis powered by solar energy

Dataset associated with the publication "Environmental and economic potential of decentralised electrocatalytic ammonia synthesis powered by solar energy" by Sebastiano C. D'Angelo, Antonio J. Martín, Selene Cobo, Diego Freire-Ordóñez, Gonzalo Guillén-Gosálbez, and Javier Pérez-Ramírez, available at https://doi.org/10.1039/D2EE02683J. The dataset includes the numeric data required to plot all the figures embedded in the main manuscript and in the Electronic Supplementary Information (ESI).

The structure of the dataset is here elucidated sheet by sheet:

• GeneralParameters: numerical values for the scaled functional unit used in the study, the world population value adopted, and the three voltage efficiencies assumed in different parts of the study.
• AL_BaseCase_SensECE: numerical values associated with the results for the ammonia leaf scenarios adopting a voltage efficiency of 63% (base case) and a Faradaic efficiency varying from 1% to 100%; highest, average, and lowest capacity factors for the solar power production were here used. The ammonia leaf configuration here assessed is the one including solar panels, electrolyzer, and fuel cell as key components. The results report all the ReCiPe 2016 (hierarchical approach) midpoints and endpoints and the values for the assessed planetary boundaries; the levelised cost of ammonia (LCOA) is reported, as well.
• AL_EtaV75_SensECE: this sheet has the structure as the previous one, but includes the results for the ammonia leaf scenario using 75% voltage efficiency, instead of 63%. The remaining assumptions do not deviate from the base case.
• AL_Eta100_SensECE: this sheet has the structure as the previous one, but includes the results for the ammonia leaf scenario using 100% voltage efficiency, instead of 63%. The remaining assumptions do not deviate from the base case.
• AL_NoFC_H2Vented_SensECE: this sheet has the same structure as the sheet "AL_BaseCase_SensECE", but includes the ammonia leaf scenario using a configuration with no fuel cell. The hydrogen by-product was here considered vented to the air. The remaining assumptions do not deviate from the base case.
• AL_NoFC_H2Subst_SensECE: this sheet has the same structure as the sheet "AL_BaseCase_SensECE", but includes the ammonia leaf scenario using a configuration with no fuel cell. The hydrogen by-product was here considered substituting the production of an equivalent quantity from a water electrolyzer deployed in the same location as the ammonia leaf. The remaining assumptions do not deviate from the base case.
• AL_BaseCase_SpatAnal_BreakFEff: numerical results for the ammonia leaf base case scenario stemming from the spatial analysis performed on a global grid of 1140 points. The yearly average capacity factors for the solar panels at each location are included, and the results portraying the breakeven Faradaic efficiency for the indicators climate change - CO₂ concentration, global warming, human health, and levelised cost of ammonia were included. The assumptions for the voltage efficiency and the other parameters correspond to the base case.
• AL_BaseCase_SpatAnal_AbsValues: numerical results for the ammonia leaf scenarios using the base case state-of-the-art (34%) and 100% Faradaic efficiency, as well as the base case voltage efficiency of 63%. The same metrics as the previous sheet are reported. The structure of the sheet is the same as the previous one.
• AL_BaseCase_Breakdowns: breakdown of the same four indicators as the previous sheet for the best and worst combination of Faradaic efficiency and solar panels capacity factors, i.e., 34% Faradaic efficiency and 6% capacity factor on one side and 100% Faradaic efficiency and 26% capacity factor on the other side. The breakdown is divided into solar panels, electrolyser, fuel cell, and other elements. A further breakdown of the levelised cost of ammonia (LCOA) into capital expenditure (CAPEX) and operating expenditure (OPEX) is provided, as well. The voltage efficiency is the same as the base case, as well as the other parameters.
• AL_BaseCase_CAPEXSens: numerical results for the levelised cost of ammonia (LCOA) in dependence of the sensitivity on the capital expenditure (CAPEX) for the ammonia leaf configuration assessed in the base case. Two cases assuming state-of-the-art (34%) and 100% Faradaic efficiency were assumed, and lowest, average, and highest capacity factor are included. The remaining parameters do not deviate from the base case configuration.
• AL_gHB_BestMap: numerical results to produce the map showing the best technology between ammonia leaf (AL) and green Haber-Bosch (gHB) in the category climate change - CO₂ concentration for all the assessed locations. column D shows the share of safe operating space (%SOS) for each location, while column E shows which technology was selected, where 1 is ammonia leaf and 2 is green HB.
• AL_BaseCase_Sensitivity: percentual variation of the results obtained assuming the base configuration ammonia leaf for a state-of-the-art Faradaic efficiency and an average capacity factor for the solar panels. The varied parameters include the voltage efficiency (columns C-D-E), the levelised cost of electricity (columns G-H-I), the electrolyser cost (columns K-L-M), the fuel cell cost (columns O-P-Q), the electrolyser environmental impact (columns S-T-U), and the fuel cell environmental impact (columns W-X-Y).
• CompTech_BaseCase: environmental and economic metrics characterizing the assessed Haber-Bosch scenarios (business as usual, BAU; blue Haber-Bosch; green Haber-Bosch for lowest, average, and highest solar panels capacity factor; BAU assuming natural gas spot prices in Europe in August 2022). The reported metrics are the ReCiPe 2016 (hierarchical approach) midpoints and endpoints, the planetary boundaries, and the levelised cost of ammonia (LCOA).
• CompTech_EtaV75: this sheet has the same structure as the previous one, but the hydrogen electrolyser used for the green Haber-Bosch scenarios was assumed to have a 10% stack efficiency improvement. The remaining parameters are the same.
• CompTech_EtaV100:  this sheet has the same structure as the previous one, but the hydrogen electrolyser used for the green Haber-Bosch scenarios was assumed to have a 100% stack efficiency. The remaining parameters are the same.
• CompValues_Fig1: numerical values for yearly global warming impacts of a selection of countries, as well as for the yearly human health impacts of selected diseases and catastrophic events.