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Heterostructural Rocksalt-Wurtzite Interfaces

Data and code accompanying the following publication: Sharad Mahatara and Stephan Lany, "Heterostructural interface engineering for ultrawide gap nitrides from first principles: TaC/AlN and TaC/GaN rocksalt-wurtzite interfaces," Physical Review Applied 22, 054044 (2024). http...

Mahatara, S. and Lany, S. National Renewable Energy Laboratory

Oct 23, 2024
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Catalyst Design in Nitrate Removal

Based on the volcano plot developed by Dr. Goldsmith group (Report linked in submission), we utilized DFT (density functional theory) calculations to search for bimetallic materials in the application of catalysts in aqueous nitrate removal. The calculations are conducted via the ...

Wang, D. and Jain, A. Lawrence Berkeley National Laboratory

Dec 01, 2021
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WaterTAP3 Model Results for NAWI's Baseline Analyses

This dataset contains the results for the WaterTAP3 model that was used for the eight NAWI (National Alliance for Water Innovation) baseline studies published in the Environmental Science and Technology special issue: Technology Baselines and Innovation Priorities for Water Treatm...

Miara, A. et al National Renewable Energy Laboratory

Feb 01, 2022
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PV Module Standoff and T98 Safety Maps for the United States (IEC 61730, 70 & 80 Celsius)

This dataset provides high-resolution maps of modeled photovoltaic (PV) module standoff distance and associated thermal conditions across the United States for two thermal design scenarios (T98 = 70 degrees C and 80 degrees C), representing distinct module temperature limits used ...

Springer, M. et al National Laboratory of the Rockies (NLR)

Apr 13, 2026
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WaterTAP3 Model Input Data for NAWI's Eight Source Water Baseline Analyses

This folder contains the input data for the WaterTAP3 model that was used for the eight NAWI (National Alliance for Water Innovation) source water baselines studies published in the Environmental Science and Technology special issue: Technology Baselines and Innovation Priorities ...