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We demonstrate how we could influence the H2 dissociation dynamics through the H–H bond orientation (with respect to the surface) dependence of the potential energy (hyper-) surface (PES), by considering the interaction of H2 with an alloy surface (e.g., an ordered Cu3Pt(111)). Our preliminary results show that by changing the dependence of the PES on the H–H orientation (e.g., such that preference...
To demonstrate how we could influence the H 2 dissociation dynamics through the H–H bond orientation (with respect to the surface) dependence of H 2 dissociation, we considered the dissociation of H 2 on an ordered Cu 3 Pt(111). Our preliminary results show that by changing the dependence of the H 2 dissociation on the H–H orientation, such that preference for...
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