Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110)

Pal, Jagriti; Rawal, Takat B.; Smerieri, Marco; Hong, Sampyo; Alatalo, Matti; Savio, Letizia; Vattuone, Luca; Rahman, Talat S.; Rocca, Mario

doi:10.1103/physrevlett.118.226101

Title: Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110)

Journal Article · Thu Jun 01 00:00:00 EDT 2017 · Physical Review Letters

DOI:https://doi.org/10.1103/physrevlett.118.226101· OSTI ID:1544389

Pal, Jagriti ^[1]; Rawal, Takat B. ^[2]; Smerieri, Marco ^[3]; Hong, Sampyo ^[4]; Alatalo, Matti ^[5]; Savio, Letizia ^[6]; Vattuone, Luca ^[1]; Rahman, Talat S. ^[2]; Rocca, Mario ^[1]

L’Istituto dei Materiali per l’Elettronica e il Magnetismo (IMEM) è parte del Consiglio Nazionale delle Ricerche (CNR), Genova (Italy); Univ. of Genova (Italy). Dipartimento di Fisica
Univ. of Central Florida, Orlando, FL (United States). Dept. of Physics
L’Istituto dei Materiali per l’Elettronica e il Magnetismo (IMEM) è parte del Consiglio Nazionale delle Ricerche (CNR), Genova (Italy)
Brewton-Parker College, Mount Vernon, GA (United States). Div. of Physical Sciences
Univ. of Oulu (Finland). Center of Molecular Materials
UOS Genova (Italy). IMEM-CNR

The reconstruction and modification of metal surfaces upon O₂ adsorption plays an important role in oxidation processes and in gauging their catalytic activity. Here, we show by employing scanning tunneling microscopy and the ab initio density functional theory that Ag atoms are extracted from pristine (110) terraces upon O₂ dissociation, resulting in vacancies and in Ag-O complexes. The substrate roughening generates undercoordinated atoms and opens pathways to the Ag subsurface layer. With increasing O coverage, multiple vacancies give rise to remarkable structures. The mechanism is expected to be very general depending on the delicate interplay of energy and entropy, so that it may be active for other materials at different temperatures.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: CHE-1310327

OSTI ID:: 1544389

Alternate ID(s):: OSTI ID: 1361118

Journal Information:: Physical Review Letters, Vol. 118, Issue 22; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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Chemisorption of aligned O ₂ on Ag(110) Kurahashi, Mitsunori The Journal of Chemical Physics, Vol. 151, Issue 8 https://doi.org/10.1063/1.5111057	journal	August 2019

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Title: Adatom Extraction from Pristine Metal Terraces by Dissociative Oxygen Adsorption: Combined STM and Density Functional Theory Investigation of O/Ag(110)

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