Atomic-Scale Investigation of Oxidation at the Black Phosphorus Surface

St Laurent, Ben; Dey, Dibyendu; Yu, Liping; Hollen, Shawna

doi:10.1021/acsaelm.1c00558

Title: Atomic-Scale Investigation of Oxidation at the Black Phosphorus Surface

Journal Article · 07 September 2021 · ACS Applied Electronic Materials

DOI: https://doi.org/10.1021/acsaelm.1c00558 · OSTI ID:1819816

St Laurent, Ben ^[1];

^[2];

^[3]

Univ. of New Hampshire, Durham, NH (United States); University of Maine
Univ. of Maine, Orono, ME (United States)
Univ. of New Hampshire, Durham, NH (United States)

Black phosphorus (BP) exhibits extraordinary electronic properties that are desirable for a wide variety of electronic and optoelectronic applications. However, applications of BP are hindered by its rapid degradation in ambient conditions. Despite significant advances that have been made in understanding the degradation mechanism, no consensus has yet been reached on how BP oxidation occurs at the atomic scale as experimental studies have been mostly restricted to averaged effects of degradation over a micron- to millimeter-sized region. Here, BP oxidation is investigated using scanning tunneling microscopy/spectroscopy (STM/S). Introducing O₂ gas to the BP surface in ultrahigh vacuum at a pressure of 10^–5 mbar for 1 min creates two new types of defects on the surface. We identify these defects as dangling atomic oxygen and phosphorus multivacancies using density functional theory simulations. In addition to the structural changes to the surface, the electronic structure is also drastically altered by the introduction of oxygen. The 300 meV band gap of BP is lifted due to dosing. This change in the electronic structure is reversible through STM tip manipulation. As a result, these are the first experimental results showing the atomic-scale oxidation of BP, an important step toward understanding the degradation process

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Research Organization:: Univ. of Maine, Orono, ME (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0021127

OSTI ID:: 1819816

Journal Information:: ACS Applied Electronic Materials, Journal Name: ACS Applied Electronic Materials Journal Issue: 9 Vol. 3; ISSN 2637-6113

Publisher:: ACS PublicationsCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
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defects in solids
degradation
oxidation
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scanning tunneling microscopy

Title: Atomic-Scale Investigation of Oxidation at the Black Phosphorus Surface

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