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Computational Modeling

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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Revealing the Singlet Fission Mechanism for a Silane-Bridged Thienotetracene Dimer

May 8, 2024

JOURNAL OF PHYSICAL CHEMISTRY A, 2024, 128, 20, 3982-3992

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Interpreting accelerated tests on perovskite modules using photooxidation of MAPbI3 as an example

May 7, 2024

CELL REPORTS PHYSICAL SCIENCE, 2024, 5, 5, 101969

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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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How much energy can offshore wind farms in the US produce? New study sheds light

Apr 25, 2024

RASEI Fellow Julie Lundquist highlights the importance of using simulation tools to determine the locations of installing wind turbines

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Power system operational impacts of electric vehicle dynamic wireless charging

Apr 8, 2024

APPLIED ENERGY, 2024, 364, 123002

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Seasonal variability of wake impacts on US mid-Atlantic offshore wind plant power production

Mar 14, 2024

WIND ENERGY SCIENCE, 2024, 9, 3, 555-583

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Rapid cooling of the in-plane motion of two-dimensional ion crystals in a Penning trap to millikelvin temperatures

Feb 27, 2024

PHYSICAL REVIEW A, 2024, L021102

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Mechanistic Investigation of a Photocatalyst Model Reveals Function by Perylene-Like Closed Shell Super-Photoreductant Capable of Reducing Unactivated Arenes

Jan 29, 2024

ACS CATALYSIS, 2024, 14, 4, 2252-2263

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Elucidation of Critical Catalyst Layer Phenomena toward High Production Rates for the Electrochemical Conversion of CO to Ethylene

Jan 8, 2024

ACS APPLIED MATERIALS & INTERFACES, 2024, 16, 3, 3246-3252

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