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physics.chem-ph2020
The Critical Role of Thermal Fluctuations for Electrocatalytic Metal Surface Properties and CO Binding Trends
Wan-Lu Li, Christianna N. Lininger, Valerie Vaissier Welborn +4
This work addresses a longstanding theoretical discrepancy using Density Functional Theory (DFT) with experimental observations of CO binding trends on electrocatalytically relevan…
physics.chem-ph2020★ 2 cited
An Isolated Water Droplet in the Aqueous Solution of a Supramolecular Tetrahedral Cage
Federico Sebastiani, Trandon A. Bender, Simone Pezzotti +7
Water under nanoconfinement at ambient conditions has exhibited low-dimensional ice formation and liquid-solid phase transitions, but with structural and dynamical signatures which…