{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T14:02:51Z","timestamp":1791468171532,"version":"4.3.4"},"reference-count":76,"publisher":"American Chemical Society (ACS)","issue":"40","license":[{"start":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T00:00:00Z","timestamp":1790726400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T00:00:00Z","timestamp":1790726400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T00:00:00Z","timestamp":1790726400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,10,8]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Hydrogen-isotope abstraction on platinum surfaces is a key elementary process in heterogeneous catalysis and hydrogen-related surface chemistry. In this work, coverage- and isotope-dependent reaction dynamics of H or D atoms impinging on D- or H-covered Pt(100) surfaces were investigated using quasiclassical molecular dynamics simulations with a flexible Pt slab at a fixed low incidence energy of 0.07 eV. The adsorbate coverage was varied from 0.18 to 0.80 monolayers (ML). Hydrogen isotope\u2013Pt interactions were described using an adjusted London\u2013Eyring\u2013Polanyi\u2013Sato potential, whereas the Pt substrate was represented by a many-body embedded-atom potential, enabling explicit lattice motion and energy transfer. Five outcome channels were quantified: HD formation, H2\/D2 formation, surface sticking, below-top-layer penetration, and inelastic scattering. HD formation was the dominant reactive pathway and increased monotonically with coverage, whereas the total nonreactive probability decreased as the adsorbate layer became denser. Early HD products were associated with Langmuir\u2013Rideal\/Eley\u2013Rideal and short-time hot-atom pathways, whereas delayed HD formation and H2\/D2 production proceeded through longer-time hot-atom motion. Below-top-layer penetration was consistently more probable than surface sticking. D-on-H collisions produced higher HD probabilities than H-on-D collisions; this ordering is interpreted as an integrated isotope-dependent trajectory effect involving projectile momentum and speed, dynamical steering, adsorbate zero-point energies, and energy exchange with the adsorbate layer and Pt lattice. All conclusions are restricted to the explicitly simulated 0.18\u20130.80 ML intervsal. These results provide a surface-specific picture of how coverage, isotope mass, lattice flexibility, and near-surface accessibility jointly control low-energy hydrogen-isotope abstraction dynamics on Pt(100).<\/jats:p>","DOI":"10.1021\/acs.jpca.6c04522","type":"journal-article","created":{"date-parts":[[2026,9,30]],"date-time":"2026-09-30T13:02:17Z","timestamp":1790773337000},"page":"7928-7941","source":"Crossref","is-referenced-by-count":0,"title":["Coverage- and Isotope-Dependent\nLangmuir\u2013Rideal\/Eley\u2013Rideal\nand Hot-Atom Reaction Dynamics of H(D) with D(H)-Covered Pt(100):\nQuasiclassical Molecular Dynamics Simulations"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5179-1266","authenticated-orcid":true,"given":"Can Dog\u0306an","family":"Vurdu","sequence":"first","affiliation":[{"name":"Kastamonu University , , ,","place":["Kastamonu, Turkey, 37150"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,30]]},"reference":[{"issue":"3","key":"2026100809064141700_cit1","doi-asserted-by":"publisher","first-page":"362","DOI":"10.1016\/0039-6028(95)00569-2","article-title":"Adsorption of hydrogen on Pt(100)\nat low temperatures","volume":"336","author":"Romainczyk","year":"1995","journal-title":"Surf. 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Nova"},{"issue":"3\u20134","key":"2026100809064141700_cit4","doi-asserted-by":"publisher","first-page":"213","DOI":"10.1016\/0009-2614(94)00247-9","article-title":"Hydrogen adsorption\non Pt(100), Pt(110), Pt(111) and Pt(1111) electrode\nsurfaces studied by in situ infrared reflection absorption spectroscopy","volume":"221","author":"Ogasawara","year":"1994","journal-title":"Chem. Phys. Lett."},{"issue":"1","key":"2026100809064141700_cit5","doi-asserted-by":"publisher","first-page":"18","DOI":"10.1016\/0039-6028(89)90460-3","article-title":"Hydrogen adsorption\non platinum single-crystal surfaces","volume":"220","author":"Furuya","year":"1989","journal-title":"Surf. Sci."},{"issue":"4","key":"2026100809064141700_cit6","doi-asserted-by":"publisher","first-page":"153","DOI":"10.1016\/j.surfrep.2018.06.001","article-title":"Interactions of\nincident H atoms with metal surfaces","volume":"73","author":"Hofman","year":"2018","journal-title":"Surf.\nSci. 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Phys."},{"issue":"1\u20133","key":"2026100809064141700_cit31","doi-asserted-by":"publisher","first-page":"91","DOI":"10.1016\/S0039-6028(00)00521-5","article-title":"A hot-atom reaction kinetic model\nfor H abstraction from solid surfaces","volume":"460","author":"Kammler","year":"2000","journal-title":"Surf.\nSci."},{"key":"2026100809064141700_cit32","doi-asserted-by":"publisher","first-page":"5479","DOI":"10.1039\/D2CP05479E","article-title":"Investigating the Eley\u2013Rideal\nrecombination of hydrogen atoms on Cu(111) via a high-dimensional\nneural network potential energy surface","volume":"25","author":"Zhu","year":"2023","journal-title":"Phys.\nChem. Chem. Phys."},{"key":"2026100809064141700_cit33","doi-asserted-by":"publisher","first-page":"457","DOI":"10.1039\/D3FD00163F","article-title":"Six-dimensional quantum\ndynamics of an Eley\u2013Rideal reaction between gaseous and adsorbed\nhydrogen atoms on Cu(111)","volume":"251","author":"Xiong","year":"2024","journal-title":"Faraday Discuss."},{"issue":"22","key":"2026100809064141700_cit34","doi-asserted-by":"publisher","first-page":"9003","DOI":"10.1021\/acs.jpcc.4c01571","article-title":"Comparison of six-dimensional\nquantum and quasi-classical dynamics\nof the Eley\u2013Rideal reaction of H(D) atoms with D(H)-covered\nCu(111)","volume":"128","author":"Xiong","year":"2024","journal-title":"J. Phys. Chem. 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Hydrogen Energy"},{"issue":"30","key":"2026100809064141700_cit41","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/22\/30\/304006","article-title":"The dissociative\nadsorption of hydrogen\non defect-\u2019free\u2019 Pt(111)","volume":"22","author":"Poelsema","year":"2010","journal-title":"J. Phys.:\nCondens. Matter"},{"issue":"7","key":"2026100809064141700_cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.3530286","article-title":"The dissociative\nadsorption of hydrogen\non Pt(111): Actuation and acceleration by atomic defects","volume":"134","author":"Poelsema","year":"2011","journal-title":"J. Chem. Phys."},{"key":"2026100809064141700_cit43","doi-asserted-by":"publisher","first-page":"134","DOI":"10.1380\/ejssnt.2008.134","article-title":"First principles investigations\non fuel cell reactions: H2\u2013Pt(111) interactions","volume":"6","author":"B Arboleda Jr","year":"2008","journal-title":"e-J. Surf. Sci. 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Simul."},{"issue":"2","key":"2026100809064141700_cit62","doi-asserted-by":"publisher","first-page":"520","DOI":"10.25092\/baunfbed.488531","article-title":"Investigation\nof LEPS potential energy surface for the interaction of a Pt(111)\nsurface with a hydrogen atom","volume":"20","author":"Vurdu","year":"2018","journal-title":"Balikesir Univ.\nJ. Inst. Sci. Technol."},{"key":"2026100809064141700_cit63","doi-asserted-by":"publisher","DOI":"10.1155\/2018\/4186968","article-title":"The adsorption\nand diffusion manners of hydrogen atoms on Pt(100), Pt(110), and Pt(111)\nsurfaces","volume":"2018","author":"Vurdu","year":"2018","journal-title":"Adv. Condens. Matter Phys."},{"issue":"12","key":"2026100809064141700_cit64","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.32.7685","article-title":"Calculation\nof the surface segregation of Ni\u2013Cu alloys with the use of\nthe embedded-atom method","volume":"32","author":"Foiles","year":"1985","journal-title":"Phys. Rev. B"},{"issue":"6","key":"2026100809064141700_cit65","doi-asserted-by":"publisher","first-page":"2963","DOI":"10.1103\/PhysRevB.29.2963","article-title":"Universal features\nof the equation of state of metals","volume":"29","author":"Rose","year":"1984","journal-title":"Phys. Rev.\nB"},{"key":"2026100809064141700_cit66","unstructured":"Voter, A. F.\n          \n          Embedded\nAtom Method\nPotentials for Seven FCC Metals: Ni, Pd, Pt, Cu, Ag, Au, and Al; Los\nAlamos Unclassified Technical Report LA-UR-93-3901\n          Los Alamos National Laboratory: Los\nAlamos, NM; 1993."},{"issue":"3","key":"2026100809064141700_cit67","doi-asserted-by":"publisher","first-page":"1904","DOI":"10.1063\/1.457096","article-title":"Ni clusters: Structures and reactivity\nwith D2","volume":"91","author":"Raghavan","year":"1989","journal-title":"J. Chem. Phys."},{"issue":"13","key":"2026100809064141700_cit68","doi-asserted-by":"publisher","first-page":"6511","DOI":"10.1063\/1.478554","article-title":"Quantum dynamics\nof an Eley\u2013Rideal gas\u2013surface\nreaction: Four-dimensional planar model for H(D)(gas) + D(H)\u2013Cu(111)","volume":"110","author":"Dai","year":"1999","journal-title":"J. Chem. Phys."},{"issue":"17","key":"2026100809064141700_cit69","doi-asserted-by":"publisher","first-page":"4345","DOI":"10.1088\/0953-8984\/14\/17\/307","article-title":"Isotope\neffects on direct and indirect\nprocesses of hydrogen abstraction from Cu(111)","volume":"14","author":"Miura","year":"2002","journal-title":"J. Phys.: Condens. Matter"},{"issue":"17","key":"2026100809064141700_cit70","doi-asserted-by":"publisher","first-page":"8115","DOI":"10.1063\/1.480145","article-title":"Interaction\nof H atoms with Cu(111) surfaces: Adsorption,\nabsorption, and abstraction","volume":"111","author":"Kammler","year":"1999","journal-title":"J. Chem. Phys."},{"issue":"11\u201312","key":"2026100809064141700_cit71","doi-asserted-by":"publisher","first-page":"765","DOI":"10.1080\/0892702042000270160","article-title":"First Principles\nModeling of Dissociative Adsorption\nat Crystal Surfaces: Hydrogen on Pt(111)","volume":"30","author":"Ludwig","year":"2004","journal-title":"Mol.\nSimul."},{"key":"2026100809064141700_cit72","doi-asserted-by":"publisher","first-page":"12157","DOI":"10.1021\/acs.jpclett.1c03395","article-title":"Accurate Simulations\nof the Reaction of H2 on a Curved Pt Crystal through Machine\nLearning","volume":"12","author":"Gerrits","year":"2021","journal-title":"J. Phys. Chem. Lett."},{"key":"2026100809064141700_cit73","doi-asserted-by":"publisher","first-page":"2973","DOI":"10.1021\/acs.jpcc.8b11018","article-title":"Transferability\nof the Specific Reaction Parameter Density Functional for H2 + Pt(111) to H2 + Pt(211)","volume":"123","author":"Ghassemi","year":"2019","journal-title":"J. Phys.\nChem. C"},{"key":"2026100809064141700_cit74","doi-asserted-by":"publisher","first-page":"155","DOI":"10.1126\/science.aau6716","article-title":"Site-Specific Reactivity of Molecules with Surface\nDefects\u2500the Case of H2 Dissociation on Pt","volume":"363","author":"van Lent","year":"2019","journal-title":"Science"},{"key":"2026100809064141700_cit75","doi-asserted-by":"publisher","first-page":"245","DOI":"10.1021\/acs.jctc.2c00824","article-title":"SBH17: Benchmark\nDatabase of Barrier Heights for Dissociative Chemisorption on Transition-Metal\nSurfaces","volume":"19","author":"Tchakoua","year":"2023","journal-title":"J. Chem. Theory Comput."},{"key":"2026100809064141700_cit76","doi-asserted-by":"publisher","first-page":"2214","DOI":"10.1063\/1.431603","article-title":"Quasiclassical\nSelection of Initial\nCoordinates and Momenta for a Rotating Morse Oscillator","volume":"63","author":"Porter","year":"1975","journal-title":"J. Chem. Phys."}],"container-title":["The Journal of Physical\nChemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.6c04522","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/jpcafh\/article-pdf\/130\/40\/7928\/68709695\/acs.jpca.6c04522.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/jpcafh\/article-pdf\/130\/40\/7928\/68709695\/acs.jpca.6c04522.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,8]],"date-time":"2026-10-08T13:29:27Z","timestamp":1791466167000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/jpcafh\/article\/130\/40\/7928\/5442257\/Coverage-and-Isotope-Dependent-Langmuir-Rideal"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9,30]]},"references-count":76,"journal-issue":{"issue":"40","published-online":{"date-parts":[[2026,9,30]]},"published-print":{"date-parts":[[2026,10,8]]}},"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.6c04522","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,9,30]]}}}