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Figure 7
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(a) Structure of the formed H3POx and the corresponding formation energies for pristine BP. (b) Structure of the formed H3POx and the corresponding formation energies for Cu@BP. (c) Desorption barrier of H3POx from BP calculated by CI-NEB method. (d) Desorption barrier of H3POx from Cu@BP calculated by CI-NEB method.
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