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Computationally Guided Discovery of Mixed Mn/Ni Perovskites for Solar Thermochemical Hydrogen Production at High H2 Conversion

May 31, 2024

CHEMISTRY OF MATERIALS, 2024, 36, 11, 5331-5342

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Insights into Electrochemical CO2 Reduction on Metallic and Oxidized Tin Using Grand-Canonical DFT and In Situ ATR-SEIRA Spectroscopy

May 14, 2024

ACS CATALYSIS, 2024, 14, 8353-8365

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Mapping the Binary Covalent Alloy Space to Pursue Superior Nitrogen Reduction Reaction Catalysts

May 5, 2024

ADVANCED ENERGY MATERIALS, 2024, 2304559

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Profile: Paige Brimley

Sept. 28, 2023

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Impact of pretreatment and thiol modifiers on the partial oxidation of glutaraldehyde using Pd/Al2O3

July 5, 2023

APPLIED CATALYSIS A: GENERAL, 2023, 661, 119229

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Dataset of theoretical multinary perovskite oxides

April 28, 2023

SCIENTIFIC DATA, 2023, 10, 244

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Effect of applied potential on metal surfaces: Surface energy, Wulff shape and charge distribution

Nov. 2, 2022

Applied Surface Science, 2022, 610, 155147

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How the Bioinspired Fe2Mo6S8 Chevrel Breaks Electrocatalytic Nitrogen Reduction Scaling Relations

July 11, 2022

J. Am. Chem. Soc., 2022, 144, 28, 12800-12806

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Predictive energetic tuning of C-Nucleophiles for the electrochemical capture of carbon dioxide

April 15, 2022

iScience, 2022, 25, 4, 103997

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A Computational Framework to Accelerate the Discovery of Perovskites for Solar Thermochemical Hydrogen Production: Identification of Gd Perovskite Oxide Redox Mediators

March 20, 2022

Adv. Func. Mater., 2022, 32, 25, 2200201

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