PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 31460390-0 2019 Molecular and Dissociative Adsorption of Oxygen on Au-Pd Bimetallic Clusters: Role of Composition and Spin State of the Cluster. Oxygen 41-47 spindlin 1 Homo sapiens 102-106 31460390-5 2019 Here, we present a systematic theoretical investigation of reaction pathways for O2 adsorption and dissociation on Au8, Pd8, and Au8-n Pd n (n = 1-7) nanoclusters in different spin states. Oxygen 81-83 spindlin 1 Homo sapiens 176-180 31460390-6 2019 The density functional calculations point out that the O2 dissociation barriers can be significantly reduced with the help of certain bimetallic clusters along specific spin channels. Oxygen 55-57 spindlin 1 Homo sapiens 169-173 31460390-8 2019 The enhanced O2 binding subsequently leads to low activation barriers of 0.98 and 1.19 eV along the doublet and quartet spin channels, respectively, without the involvement of any spin flip-over for O2 dissociation. Oxygen 13-15 spindlin 1 Homo sapiens 120-124