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Materials Theory & Computation Group

Modeling and Simulation of Materials. Keep me signed in. Hydrated Manganese (II) Phosphate. We identified a new crystal structure, Mn. O, that precipitates spontaneously and shows high catalytic performance in water oxidation reaction. We found that the structural flexibility could stabilize the Jahn-Teller distortion of oxidized Mn. Theoretically, valuable insights into the interplay between atomic structure and catalytic activity are provided. Published in Journal of the American Chemical Society.

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Materials Theory & Computation Group | cmsl.snu.ac.kr Reviews
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Modeling and Simulation of Materials. Keep me signed in. Hydrated Manganese (II) Phosphate. We identified a new crystal structure, Mn. O, that precipitates spontaneously and shows high catalytic performance in water oxidation reaction. We found that the structural flexibility could stabilize the Jahn-Teller distortion of oxidized Mn. Theoretically, valuable insights into the interplay between atomic structure and catalytic activity are provided. Published in Journal of the American Chemical Society.
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Materials Theory & Computation Group | cmsl.snu.ac.kr Reviews

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Modeling and Simulation of Materials. Keep me signed in. Hydrated Manganese (II) Phosphate. We identified a new crystal structure, Mn. O, that precipitates spontaneously and shows high catalytic performance in water oxidation reaction. We found that the structural flexibility could stabilize the Jahn-Teller distortion of oxidized Mn. Theoretically, valuable insights into the interplay between atomic structure and catalytic activity are provided. Published in Journal of the American Chemical Society.

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Materials Theory & Computation Group

Modeling and Simulation of Materials. Keep me signed in. Hydrated Manganese (II) Phosphate. We identified a new crystal structure, Mn. O, that precipitates spontaneously and shows high catalytic performance in water oxidation reaction. We found that the structural flexibility could stabilize the Jahn-Teller distortion of oxidized Mn. Theoretically, valuable insights into the interplay between atomic structure and catalytic activity are provided. Published in Journal of the American Chemical Society.

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