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Computational Modeling

Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites

Jun 1, 2024

PHYSICAL REVIEW B, 2024, 110, 035160

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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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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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RASEI Fellow Kyri Baker featured on podcast "With Great Power"

Apr 2, 2024

April 2024

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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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