Interplay between intercalated oxygen superstructures and monolayer h -BN on Cu(100)

Ma, Chuanxu; Park, Jewook; Liu, Lei; Kim, Yong-Sung; Yoon, Mina; Baddorf, Arthur P.; Gu, Gong; Li, An-Ping

doi:10.1103/PhysRevB.94.064106

Interplay between intercalated oxygen superstructures and monolayer $h$ -BN on Cu(100)

Journal Article · Thu Aug 18 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.064106· OSTI ID:1302884

Ma, Chuanxu ^[1]; Park, Jewook ^[1]; Liu, Lei ^[2]; Kim, Yong-Sung ^[3]; Yoon, Mina ^[4]; Baddorf, Arthur P. ^[1]; Gu, Gong ^[2]; Li, An-Ping ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences
Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences; Univ. of Tennessee, Knoxville, TN (United States); Korea Research Inst. of Standards and Science, Daejeon (Korea, Republic of); Korea Univ. of Science and Technology, Daejeon (Korea, Republic of). Dept. of Nano Science
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences; Univ. of Tennessee, Knoxville, TN (United States)

The confinement effect of intercalated atoms in van der Waals heterostructures can lead to interesting interactions between the confined atoms or molecules and the overlaying two-dimensional (2D) materials. In this paper, we report the formation of ordered Cu(100) p(2×2) oxygen superstructures by oxygen intercalation under the monolayer hexagonal boron nitride (h-BN) on Cu after annealing. By using scanning tunneling microscopy and x-ray photoelectron spectroscopy, we identify the superstructure and reveal its roles in passivating the exposed Cu surfaces, decoupling h-BN and Cu, and disintegrating h-BN monolayers. The oxygen superstructure appears as a 2D pattern on the exposed Cu surface or quasi-1D stripes of paired oxygen intercalated in the interface of h-BN and Cu predominantly oriented along the moiré modulations. The oxygen superstructure is shown to etch the overlaying h-BN monolayer in a thermal annealing process. After extended annealing, the h-BN monolayer disintegrates into nanoislands with zigzag edges. Finally, we discuss the implications of these findings on the stability and oxidation resistance of h-BN and relate them to challenges in process integration and 2D heterostructures.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC)

Grant/Contract Number:: AC02-05CH11231; AC05-00OR22725

OSTI ID:: 1302884

Alternate ID(s):: OSTI ID: 1298339

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 6 Vol. 94; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (63)

Semiempirical GGA-type density functional constructed with a long-range dispersion correction Grimme, Stefan Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799 https://doi.org/10.1002/jcc.20495	journal	January 2006
Hexagonal Boron Nitride-Graphene Heterostructures: Synthesis and Interfacial Properties Li, Qiucheng; Liu, Mengxi; Zhang, Yanfeng Small, Vol. 12, Issue 1 https://doi.org/10.1002/smll.201501766	journal	October 2015
Mn atomic layers under inert covers of graphene and hexagonal boron nitride prepared on Rh(111) Zhang, Yu; Zhang, Yanfeng; Ma, Donglin Nano Research, Vol. 6, Issue 12 https://doi.org/10.1007/s12274-013-0365-z	journal	September 2013
Stability of BN/metal interfaces in gaseous atmosphere Yang, Yang; Fu, Qiang; Wei, Mingming Nano Research, Vol. 8, Issue 1 https://doi.org/10.1007/s12274-014-0639-0	journal	December 2014
The rates of oxidation of several faces of a single crystal of copper as determined with elliptically polarized light Young, Fred W.; Cathcart, John V.; Gwathmey, Allan T. Acta Metallurgica, Vol. 4, Issue 2 https://doi.org/10.1016/0001-6160(56)90132-8	journal	March 1956
Oxygen on Cu(100) – a case of an adsorbate induced reconstruction Wuttig, M.; Franchy, R.; Ibach, H. Surface Science, Vol. 213, Issue 1 https://doi.org/10.1016/0039-6028(89)90254-9	journal	April 1989
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Oxidation fracturing of the graphitic BN sheet Si, M. S.; Xue, D. S. Journal of Physics and Chemistry of Solids, Vol. 71, Issue 9 https://doi.org/10.1016/j.jpcs.2010.04.019	journal	September 2010
Controllable oxidation of h-BN monolayer on Ir(111) studied by core-level spectroscopies Simonov, K. A.; Vinogradov, N. A.; Ng, M. L. Surface Science, Vol. 606, Issue 3-4 https://doi.org/10.1016/j.susc.2011.11.031	journal	February 2012
Thermal and chemical stability of hexagonal boron nitride (h-BN) nanoplatelets Kostoglou, Nikolaos; Polychronopoulou, Kyriaki; Rebholz, Claus Vacuum, Vol. 112 https://doi.org/10.1016/j.vacuum.2014.11.009	journal	February 2015
Hexagonal Boron Nitride Cover on Pt(111): A New Route to Tune Molecule–Metal Interaction and Metal-Catalyzed Reactions Zhang, Yanhong; Weng, Xuefei; Li, Huan Nano Letters, Vol. 15, Issue 5 https://doi.org/10.1021/acs.nanolett.5b01205	journal	April 2015
Synthesis of One Monolayer of Hexagonal Boron Nitride on Ni(111) from B-Trichloroborazine (ClBNH) ₃ Auwärter, Willi; Suter, Hans Ulrich; Sachdev, Hermann Chemistry of Materials, Vol. 16, Issue 2 https://doi.org/10.1021/cm034805s	journal	January 2004
In Situ Observations during Chemical Vapor Deposition of Hexagonal Boron Nitride on Polycrystalline Copper Kidambi, Piran R.; Blume, Raoul; Kling, Jens Chemistry of Materials, Vol. 26, Issue 22 https://doi.org/10.1021/cm502603n	journal	November 2014
Confinement or the Nature of the Interface? Dynamics of Nanoscopic Water Moilanen, David E.; Levinger, Nancy E.; Spry, D. B. Journal of the American Chemical Society, Vol. 129, Issue 46 https://doi.org/10.1021/ja073977d	journal	November 2007
Step Flow Versus Mosaic Film Growth in Hexagonal Boron Nitride Lu, Jiong; Yeo, Pei Shan Emmeline; Zheng, Yi Journal of the American Chemical Society, Vol. 135, Issue 6 https://doi.org/10.1021/ja3117735	journal	January 2013
Oxygen-Etching of h-BN/Ru(0001) Nanomesh on the Nano- and Mesoscopic Scale Goriachko, A.; Zakharov, A. A.; Over, H. The Journal of Physical Chemistry C, Vol. 112, Issue 28 https://doi.org/10.1021/jp802359u	journal	June 2008
Dissociative Adsorption of Oxygen on Clean Cu(001) Surface Yagyu, Kazuma; Liu, Xiangdong; Yoshimoto, Yoshihide The Journal of Physical Chemistry C, Vol. 113, Issue 14 https://doi.org/10.1021/jp808542z	journal	March 2009
Large Scale Growth and Characterization of Atomic Hexagonal Boron Nitride Layers Song, Li; Ci, Lijie; Lu, Hao Nano Letters, Vol. 10, Issue 8, p. 3209-3215 https://doi.org/10.1021/nl1022139	journal	August 2010
Graphene Induced Surface Reconstruction of Cu Tian, Jifa; Cao, Helin; Wu, Wei Nano Letters, Vol. 12, Issue 8 https://doi.org/10.1021/nl3002974	journal	July 2012
Effective Cleaning of Hexagonal Boron Nitride for Graphene Devices Garcia, Andrei G. F.; Neumann, Michael; Amet, François Nano Letters, Vol. 12, Issue 9 https://doi.org/10.1021/nl3011726	journal	January 2012
Boron Nitride on Cu(111): An Electronically Corrugated Monolayer Joshi, Sushobhan; Ecija, David; Koitz, Ralph Nano Letters, Vol. 12, Issue 11 https://doi.org/10.1021/nl303170m	journal	October 2012
Immobilizing Individual Atoms beneath a Corrugated Single Layer of Boron Nitride Cun, Huanyao; Iannuzzi, Marcella; Hemmi, Adrian Nano Letters, Vol. 13, Issue 5 https://doi.org/10.1021/nl400449y	journal	April 2013
Toward Single-Layer Uniform Hexagonal Boron Nitride–Graphene Patchworks with Zigzag Linking Edges Gao, Yabo; Zhang, Yanfeng; Chen, Pengcheng Nano Letters, Vol. 13, Issue 7 https://doi.org/10.1021/nl4021123	journal	June 2013
Impact of Oxygen Coadsorption on Intercalation of Cobalt under the h-BN Nanomesh Preobrajenski, A. B.; Ng, M. L.; Vinogradov, N. A. Nano Letters, Vol. 9, Issue 7 https://doi.org/10.1021/nl901316p	journal	July 2009
Atomic-Scale Investigation of Graphene Grown on Cu Foil and the Effects of Thermal Annealing Cho, Jongweon; Gao, Li; Tian, Jifa ACS Nano, Vol. 5, Issue 5 https://doi.org/10.1021/nn103338g	journal	April 2011
Oxygen Intercalation under Graphene on Ir(111): Energetics, Kinetics, and the Role of Graphene Edges Grånäs, Elin; Knudsen, Jan; Schröder, Ulrike A. ACS Nano, Vol. 6, Issue 11 https://doi.org/10.1021/nn303548z	journal	October 2012
Strong Oxidation Resistance of Atomically Thin Boron Nitride Nanosheets Li, Lu Hua; Cervenka, Jiri; Watanabe, Kenji ACS Nano, Vol. 8, Issue 2 https://doi.org/10.1021/nn500059s	journal	January 2014
Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility Liu, Han; Neal, Adam T.; Zhu, Zhen ACS Nano, Vol. 8, Issue 4 https://doi.org/10.1021/nn501226z	journal	March 2014
A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface Ohtomo, A.; Hwang, H. Y. Nature, Vol. 427, Issue 6973 https://doi.org/10.1038/nature02308	journal	January 2004
Van der Waals heterostructures Geim, A. K.; Grigorieva, I. V. Nature, Vol. 499, Issue 7459, p. 419-425 https://doi.org/10.1038/nature12385	journal	July 2013
Ultrathin high-temperature oxidation-resistant coatings of hexagonal boron nitride Liu, Zheng; Gong, Yongji; Zhou, Wu Nature Communications, Vol. 4, Issue 1 https://doi.org/10.1038/ncomms3541	journal	October 2013
Spatially resolved one-dimensional boundary states in graphene–hexagonal boron nitride planar heterostructures Park, Jewook; Lee, Jaekwang; Liu, Lei Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms6403	journal	November 2014
Boron nitride substrates for high-quality graphene electronics Dean, C. R.; Young, A. F.; Meric, I. Nature Nanotechnology, Vol. 5, Issue 10, p. 722-726 https://doi.org/10.1038/nnano.2010.172	journal	August 2010
Oxidation of a two-dimensional hexagonal boron nitride monolayer: a first-principles study Zhao, Yu; Wu, Xiaojun; Yang, Jinlong Physical Chemistry Chemical Physics, Vol. 14, Issue 16 https://doi.org/10.1039/c2cp40081b	journal	January 2012
Oxygen Effect on the Stability of PECVD Boron-Carbon Films Rybakov, S. Yu.; Sharapov, V. M.; Gavrilov, L. E. Le Journal de Physique IV, Vol. 05, Issue C5 https://doi.org/10.1051/jphyscol:19955109	journal	June 1995
Self-limiting oxidation of copper Yang, J. C.; Kolasa, B.; Gibson, J. M. Applied Physics Letters, Vol. 73, Issue 19 https://doi.org/10.1063/1.122608	journal	November 1998
Boron nitride nanotubes: Pronounced resistance to oxidation Chen, Ying; Zou, Jin; Campbell, Stewart J. Applied Physics Letters, Vol. 84, Issue 13, p. 2430-2432 https://doi.org/10.1063/1.1667278	journal	March 2004
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Grimme, Stefan; Antony, Jens; Ehrlich, Stephan The Journal of Chemical Physics, Vol. 132, Issue 15 https://doi.org/10.1063/1.3382344	journal	April 2010
Unusual role of epilayer–substrate interactions in determining orientational relations in van der Waals epitaxy Liu, Lei; Siegel, David A.; Chen, Wei Proceedings of the National Academy of Sciences, Vol. 111, Issue 47 https://doi.org/10.1073/pnas.1405613111	journal	November 2014
Structure, stability and defects of single layer hexagonal BN in comparison to graphene Slotman, G. J.; Fasolino, A. Journal of Physics: Condensed Matter, Vol. 25, Issue 4 https://doi.org/10.1088/0953-8984/25/4/045009	journal	December 2012
Corrugation studies for p ( 2 × 2 ) and c ( 2 × 2 ) phases of oxygen on Ni(001) and Cu(001) Barker, J. A.; Batra, Inder P. Physical Review B, Vol. 27, Issue 6 https://doi.org/10.1103/PhysRevB.27.3138	journal	March 1983
Structure of c (2×2) oxygen on Cu(100): A surface extended x-ray absorption fine-structure study Döbler, U.; Baberschke, K.; Stöhr, J. Physical Review B, Vol. 31, Issue 4 https://doi.org/10.1103/PhysRevB.31.2532	journal	February 1985
Structure determination of Cu(100)- p (2×2)-S using x-ray diffraction Vlieg, E.; Robinson, I. K.; McGrath, R. Physical Review B, Vol. 41, Issue 11 https://doi.org/10.1103/PhysRevB.41.7896	journal	April 1990
Dynamics of oxygen-induced reconstruction of Cu(100) studied by scanning tunneling microscopy Jensen, F.; Besenbacher, F.; Laegsgaard, E. Physical Review B, Vol. 42, Issue 14 https://doi.org/10.1103/PhysRevB.42.9206	journal	November 1990
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Structure and dynamics of oxygen adsorbed on Ag(100) vicinal surfaces Bonini, N.; Kokalj, A.; Dal Corso, A. Physical Review B, Vol. 69, Issue 19 https://doi.org/10.1103/PhysRevB.69.195401	journal	May 2004
Oxygen adsorption on Cu(100): First-principles pseudopotential calculations Alatalo, M.; Jaatinen, S.; Salo, P. Physical Review B, Vol. 70, Issue 24 https://doi.org/10.1103/PhysRevB.70.245417	journal	December 2004
Adsorbate-induced surface reconstruction and surface-stress changes in Cu ( 100 ) ∕ O : Experiment and theory Harrison, M. J.; Woodruff, D. P.; Robinson, J. Physical Review B, Vol. 74, Issue 16 https://doi.org/10.1103/PhysRevB.74.165402	journal	October 2006
Adsorption and diffusion dynamics of atomic and molecular oxygen on reconstructed Cu(100) Jaatinen, S.; Blomqvist, J.; Salo, P. Physical Review B, Vol. 75, Issue 7 https://doi.org/10.1103/PhysRevB.75.075402	journal	February 2007
Atomically thin hexagonal boron nitride probed by ultrahigh-resolution transmission electron microscopy Alem, Nasim; Erni, Rolf; Kisielowski, Christian Physical Review B, Vol. 80, Issue 15 https://doi.org/10.1103/PhysRevB.80.155425	journal	October 2009
Density functional study of oxygen on Cu(100) and Cu(110) surfaces Duan, X.; Warschkow, O.; Soon, A. Physical Review B, Vol. 81, Issue 7 https://doi.org/10.1103/PhysRevB.81.075430	journal	February 2010
Electron knock-on damage in hexagonal boron nitride monolayers Kotakoski, J.; Jin, C. H.; Lehtinen, O. Physical Review B, Vol. 82, Issue 11 https://doi.org/10.1103/PhysRevB.82.113404	journal	September 2010
Profiling the Interface Electron Gas of LaAlO 3 / SrTiO 3 Heterostructures with Hard X-Ray Photoelectron Spectroscopy Sing, M.; Berner, G.; Goß, K. Physical Review Letters, Vol. 102, Issue 17 https://doi.org/10.1103/PhysRevLett.102.176805	journal	April 2009
Fabrication of a Freestanding Boron Nitride Single Layer and Its Defect Assignments Jin, Chuanhong; Lin, Fang; Suenaga, Kazu Physical Review Letters, Vol. 102, Issue 19 https://doi.org/10.1103/PhysRevLett.102.195505	journal	May 2009
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Distinct Water Species Confined at the Interface of a Phospholipid Membrane Volkov, Victor V.; Palmer, D. Jason; Righini, Roberto Physical Review Letters, Vol. 99, Issue 7 https://doi.org/10.1103/PhysRevLett.99.078302	journal	August 2007
Boron Nitride Nanomesh Corso, M. Science, Vol. 303, Issue 5655 https://doi.org/10.1126/science.1091979	journal	January 2004
Deep Ultraviolet Light-Emitting Hexagonal Boron Nitride Synthesized at Atmospheric Pressure Kubota, Y.; Watanabe, K.; Tsuda, O. Science, Vol. 317, Issue 5840 https://doi.org/10.1126/science.1144216	journal	August 2007
Large-Area Synthesis of High-Quality and Uniform Graphene Films on Copper Foils Li, X.; Cai, W.; An, J. Science, Vol. 324, Issue 5932, p. 1312-1314 https://doi.org/10.1126/science.1171245	journal	May 2009
Interface-Confined Ferrous Centers for Catalytic Oxidation Fu, Q.; Li, W. -X.; Yao, Y. Science, Vol. 328, Issue 5982 https://doi.org/10.1126/science.1188267	journal	May 2010
Heteroepitaxial Growth of Two-Dimensional Hexagonal Boron Nitride Templated by Graphene Edges Liu, L.; Park, J.; Siegel, D. A. Science, Vol. 343, Issue 6167 https://doi.org/10.1126/science.1246137	journal	January 2014

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