{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,3]],"date-time":"2026-09-03T23:15:40Z","timestamp":1788477340403,"version":"build-2803163510"},"reference-count":74,"publisher":"American Chemical Society (ACS)","issue":"4","license":[{"start":{"date-parts":[[2021,1,19]],"date-time":"2021-01-19T00:00:00Z","timestamp":1611014400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/pubs.acs.org\/page\/policy\/authorchoice_ccbyncnd_termsofuse.html"}],"funder":[{"DOI":"10.13039\/501100009025","name":"Accelerated Innovation Research Initiative Turning Top Science and Ideas into High-Impact Values","doi-asserted-by":"publisher","award":["JPMJAC1501"],"award-info":[{"award-number":["JPMJAC1501"]}],"id":[{"id":"10.13039\/501100009025","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2021,2,2]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>We studied the binding energies of O species on face-centered-cubic Pt3M nanoparticles (NPs) with a Pt-skin layer using density functional theory calculations, where M is Co, Ni, or Cu. It is desirable to express the property by structural parameters rather than by calculated electronic structures such as the d-band center. A generalized coordination number (GCN) is an effective descriptor to predict atomic or molecular adsorption energy on Pt-NPs. The GCN was extended to the prediction of highly active sites for oxygen reduction reaction. However, it failed to explain the O binding energies on Pt-skin Pt150M51-NPs. In this study, we introduced an element-based GCN, denoted as GCNA\u2013B, and considered it as a descriptor for supervised learning. The obtained regression coefficients of GCNPt\u2013Pt were smaller than those of the other GCNA\u2013B. With increasing M atoms in the subsurface layer, GCNPt\u2013M, GCNM\u2013Pt, and GCNM\u2013M increased. These factors could reproduce the calculated result that the O binding energies of the Pt-skin Pt150M51-NPs were less negative than those of the Pt201-NPs. Thus, GCNA\u2013B explains the ligand effect of the O binding energy on the Pt-skin Pt150M51-NPs.<\/jats:p>","DOI":"10.1021\/acsomega.0c05649","type":"journal-article","created":{"date-parts":[[2021,1,19]],"date-time":"2021-01-19T20:16:10Z","timestamp":1611087370000},"page":"3218-3226","source":"Crossref","is-referenced-by-count":35,"title":["An Element-Based Generalized Coordination Number for\nPredicting the Oxygen Binding Energy on Pt3M (M = Co, Ni,\nor Cu) Alloy Nanoparticles"],"prefix":"10.1021","volume":"6","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1692-4465","authenticated-orcid":true,"given":"Yusuke","family":"Nanba","sequence":"first","affiliation":[{"name":"Shinshu University , , 4-17-1 Wakasato , , ,","place":["Nagano, Nagano, Japan, 380-8553"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michihisa","family":"Koyama","sequence":"additional","affiliation":[{"name":"Shinshu University , , 4-17-1 Wakasato , , ,","place":["Nagano, Nagano, Japan, 380-8553"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,1,19]]},"reference":[{"key":"2026090318125482100_cit1","doi-asserted-by":"publisher","first-page":"2141","DOI":"10.1103\/PhysRevLett.76.2141","article-title":"CO Chemisorption\nat Metal Surfaces\nand Overlayers","volume":"76","author":"Hammer","year":"1996","journal-title":"Phys. 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