{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T19:50:08Z","timestamp":1777405808521,"version":"3.51.4"},"reference-count":50,"publisher":"MDPI AG","issue":"17","license":[{"start":{"date-parts":[[2021,8,31]],"date-time":"2021-08-31T00:00:00Z","timestamp":1630368000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100006769","name":"Russian Science Foundation","doi-asserted-by":"publisher","award":["20-19-00386"],"award-info":[{"award-number":["20-19-00386"]}],"id":[{"id":"10.13039\/501100006769","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Among different polymers nanostructured cross-linked aromatics have the greatest potential as catalytic supports due to their exceptional thermal and chemical stability and preservation of the active phase morphology. This work studies the ability of hyper-cross-linked polystyrene (HPS) to stabilize small Pdn and Ptn (n = 4 or 9) clusters. Unrestricted DFT calculations were carried out for benzene (BZ) adsorption at the BP level of theory using triple-zeta basis sets. The adsorption of BZ rings (stepwise from one to four) was found to result in noticeable gain in energy and stabilization of resulting adsorption complexes. Moreover, the interaction of metal clusters with HPS micropores was also addressed. For the first time, the incorporation of small clusters in the HPS structure was shown to influences its geometry resulting in the stabilization of polymer due to its partial relaxation.<\/jats:p>","DOI":"10.3390\/molecules26175294","type":"journal-article","created":{"date-parts":[[2021,8,31]],"date-time":"2021-08-31T21:59:45Z","timestamp":1630447185000},"page":"5294","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Hyper-Cross-Linked Polystyrene as a Stabilizing Medium for Small Metal Clusters"],"prefix":"10.3390","volume":"26","author":[{"given":"Alexey V.","family":"Bykov","sequence":"first","affiliation":[{"name":"Department of Biotechnology, Chemistry and Standardization, Tver State Technical University, A. Nikitina str. 22, 170026 Tver, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Galina N.","family":"Demidenko","sequence":"additional","affiliation":[{"name":"Department of Biotechnology, Chemistry and Standardization, Tver State Technical University, A. Nikitina str. 22, 170026 Tver, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6348-3623","authenticated-orcid":false,"given":"Linda Zh.","family":"Nikoshvili","sequence":"additional","affiliation":[{"name":"Department of Biotechnology, Chemistry and Standardization, Tver State Technical University, A. Nikitina str. 22, 170026 Tver, Russia"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lioubov","family":"Kiwi-Minsker","sequence":"additional","affiliation":[{"name":"Regional Technological Centre, Tver State University, Zhelyabova str. 33, 170100 Tver, Russia"},{"name":"Department of Basic Sciences, Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne, ISIC-FBS-EPFL, CH-1015 Lausanne, Switzerland"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2021,8,31]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"163","DOI":"10.1016\/j.cattod.2015.09.045","article-title":"Selective hydrogenation of D-glucose using amine functionalized nanoporous polymer supported Ru nanoparticles-based catalyst","volume":"265","author":"Dabbawala","year":"2016","journal-title":"Catal. 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