Search Results - "Østergaard, Thomas M"

Oxidation of Ethylene Carbonate on Li Metal Oxide Surfaces by Østergaard, Thomas M, Giordano, Livia, Castelli, Ivano E, Maglia, Filippo, Antonopoulos, Byron K, Shao-Horn, Yang, Rossmeisl, Jan

“…Understanding the reactivity of the cathode surface is of key importance to the development of batteries. Here, density functional theory is applied to…”
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Ligand-Dependent Energetics for Dehydrogenation: Implications in Li-Ion Battery Electrolyte Stability and Selective Oxidation Catalysis of Hydrogen-Containing Molecules by Giordano, Livia, Østergaard, Thomas M, Muy, Sokseiha, Yu, Yang, Charles, Nenian, Kim, Soo, Zhang, Yirui, Maglia, Filippo, Jung, Roland, Lund, Isaac, Rossmeisl, Jan, Shao-Horn, Yang

“…The hydrogen adsorption energetics on the surface of inorganic compounds can be used to predict electrolyte stability in Li-ion batteries and catalytic…”
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The role of an interface in stabilizing reaction intermediates for hydrogen evolution in aprotic electrolytes by Castelli, Ivano E, Zorko, Milena, Østergaard, Thomas M, Martins, Pedro F. B. D, Lopes, Pietro P, Antonopoulos, Byron K, Maglia, Filippo, Markovic, Nenad M, Strmcnik, Dusan, Rossmeisl, Jan

“…By combining idealized experiments with realistic quantum mechanical simulations of an interface, we investigate electro-reduction reactions of HF, water and…”
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