Exfoliating silica bilayers via intercalation at the silica/transition metal interface

Wang, Mengen; Boscoboinik, J. Anibal; Lu, Deyu

doi:10.1088/1361-6528/ac4351

Title: Exfoliating silica bilayers via intercalation at the silica/transition metal interface

Journal Article · 04 January 2022 · Nanotechnology

DOI: https://doi.org/10.1088/1361-6528/ac4351 · OSTI ID:1837213

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Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., NY (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

The growth of the silica (SiO₂) bilayer (BL) films on transition metal (TM) surfaces creates a new class of two-dimensional (2D) crystalline, self-contained materials that interact weakly with the TM substrate. The BL-silica/TM heterojunction has shown unique physical and chemical properties that can lead to new chemical reaction mechanisms under the sub-nm confinement and broad potential applications ranging from surface protection, nano transistors, molecular sieves to nuclear waste removal. Novel applications of BL-silica can be further explored as a constituent of van der Waals assembly of 2D materials. Key to these applications is an unmet technical challenge to exfoliate and transfer BL-silica films in a large area from one substrate to another without material damage. In this study, we propose a new exfoliation mechanism based on gas molecule intercalation from density functional theory studies of the BL-silica/TM heterojunction. Here, we found that the intercalation of O atoms and CO molecules at the BL-silica/TM interface weakens the BL-silica—TM hybridization, which results in an exponential decrease of the exfoliation energy against the interface distance as the coverage of interfacial species increases. This new intercalation mechanism opens up the opportunity for non-damaging exfoliation and transfer of large area silica bilayers.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231; SC0012704

OSTI ID:: 1837213

Report Number(s):: BNL-222534-2021-JAAM

Journal Information:: Nanotechnology, Journal Name: Nanotechnology Journal Issue: 13 Vol. 33; ISSN 0957-4484

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

References (51)

Ionization‐Facilitated Formation of 2D (Alumino)Silicate–Noble Gas Clathrate Compounds Zhong, Jian‐Qiang; Wang, Mengen; Akter, Nusnin Advanced Functional Materials, Vol. 29, Issue 20 https://doi.org/10.1002/adfm.201806583	journal	March 2019
Synthesis and Structure of Ultrathin Aluminosilicate Films Stacchiola, Dario; Kaya, Sarp; Weissenrieder, Jonas Angewandte Chemie International Edition, Vol. 45, Issue 45 https://doi.org/10.1002/anie.200602670	journal	November 2006
Modeling Zeolites with Metal-Supported Two-Dimensional Aluminosilicate Films Boscoboinik, Jorge Anibal; Yu, Xin; Yang, Bing Angewandte Chemie International Edition, Vol. 51, Issue 24 https://doi.org/10.1002/anie.201201319	journal	April 2012
Water Formation under Silica Thin Films: Real-Time Observation of a Chemical Reaction in a Physically Confined Space Prieto, Mauricio J.; Klemm, Hagen W.; Xiong, Feng Angewandte Chemie International Edition, Vol. 57, Issue 28 https://doi.org/10.1002/anie.201802000	journal	June 2018
Enhanced Catalysis under 2D Silica: A CO Oxidation Study Eads, Calley N.; Boscoboinik, J. Anibal; Head, Ashley R. Angewandte Chemie International Edition, Vol. 60, Issue 19 https://doi.org/10.1002/anie.202013801	journal	March 2021
Energy Level Shifts at the Silica/Ru(0001) Heterojunction Driven by Surface and Interface Dipoles Wang, Mengen; Zhong, Jian-Qiang; Kestell, John Topics in Catalysis, Vol. 60, Issue 6-7 https://doi.org/10.1007/s11244-016-0704-x	journal	September 2016
Stabilization of Oxidized Copper Nanoclusters in Confined Spaces Akter, Nusnin; Wang, Mengen; Zhong, Jian-Qiang Topics in Catalysis, Vol. 61, Issue 5-6 https://doi.org/10.1007/s11244-017-0879-9	journal	January 2018
Interaction of NO and O2 with Pd(111) surfaces. II Conrad, H.; Ertl, G.; Küppers, J. Surface Science, Vol. 65, Issue 1 https://doi.org/10.1016/0039-6028(77)90305-3	journal	June 1977
Interaction of oxygen and hydrogen with palladium Légaré, P.; Hilaire, L.; Maire, G. Surface Science, Vol. 107, Issue 2-3 https://doi.org/10.1016/0039-6028(81)90543-4	journal	June 1981
Adsorbate induced reconstruction by strong chemisorption: Ru(001)p(2×2)-O Lindroos, M.; Pfnür, H.; Held, G. Surface Science, Vol. 222, Issue 2-3 https://doi.org/10.1016/0039-6028(89)90371-3	journal	November 1989
Oxygen induced reconstruction of a close-packed surface: A LEED IV study on Ru(001)-p(2 × 1)O Pfnür, H.; Held, G.; Lindroos, M. Surface Science, Vol. 220, Issue 1 https://doi.org/10.1016/0039-6028(89)90462-7	journal	October 1989
Reliability of detailed LEED structural analyses: Pt(111) and Pt(111)-p(2×2)-O Materer, N.; Starke, U.; Barbieri, A. Surface Science, Vol. 325, Issue 3 https://doi.org/10.1016/0039-6028(94)00703-9	journal	March 1995
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
Adsorption of oxygen and surface oxide formation on Pd(111) and Pd foil studied with ellipsometry, LEED, AES and XPS Voogt, E. H.; Mens, A. J. M.; Gijzeman, O. L. J. Surface Science, Vol. 373, Issue 2-3 https://doi.org/10.1016/S0039-6028(96)01180-6	journal	March 1997
Building blocks of zeolites on an aluminosilicate ultra-thin film Boscoboinik, J. Anibal; Yu, Xin; Yang, Bing Microporous and Mesoporous Materials, Vol. 165 https://doi.org/10.1016/j.micromeso.2012.08.014	journal	January 2013
CO adsorption on a silica bilayer supported on Ru(0001) Schlexer, Philomena; Pacchioni, Gianfranco; Włodarczyk, Radosław Surface Science, Vol. 648 https://doi.org/10.1016/j.susc.2015.10.027	journal	June 2016
Preparation and characterization of atomically flat and ordered silica films on a Pd(100) surface Zhang, Zhen; Jiang, Zhiquan; Yao, Yunxi Thin Solid Films, Vol. 516, Issue 12 https://doi.org/10.1016/j.tsf.2007.06.070	journal	April 2008
Structure of a Silica Thin Film on Oxidized Cu(111): Conservation of the Honeycomb Lattice and Role of the Interlayer Navarro, Juan J.; Tosoni, Sergio; Bruce, Jared P. The Journal of Physical Chemistry C, Vol. 124, Issue 38 https://doi.org/10.1021/acs.jpcc.0c05463	journal	August 2020
Oxidation and Reduction under Cover: Chemistry at the Confined Space between Ultrathin Nanoporous Silicates and Ru(0001) Zhong, Jian-Qiang; Kestell, John; Waluyo, Iradwikanari The Journal of Physical Chemistry C, Vol. 120, Issue 15 https://doi.org/10.1021/acs.jpcc.6b02851	journal	April 2016
First-Principles Study of Interface Structures and Charge Rearrangement at the Aluminosilicate/Ru(0001) Heterojunction Wang, Mengen; Zhong, Jian-Qiang; Stacchiola, Dario J. The Journal of Physical Chemistry C, Vol. 123, Issue 13 https://doi.org/10.1021/acs.jpcc.8b05853	journal	September 2018
Mechanism of the Accelerated Water Formation Reaction under Interfacial Confinement Wang, Mengen; Zhou, Chen; Akter, Nusnin ACS Catalysis, Vol. 10, Issue 11 https://doi.org/10.1021/acscatal.9b05289	journal	April 2020
A Large-Area Transferable Wide Band Gap 2D Silicon Dioxide Layer Büchner, Christin; Wang, Zhu-Jun; Burson, Kristen M. ACS Nano, Vol. 10, Issue 8 https://doi.org/10.1021/acsnano.6b03929	journal	July 2016
A Density Functional Theory Study of the Interaction between CO and O on a Pt Surface: CO/Pt(111), O/Pt(111), and CO/O/Pt(111) Bleakley, K.; Hu, P. Journal of the American Chemical Society, Vol. 121, Issue 33 https://doi.org/10.1021/ja983363w	journal	July 1999
Oxygen Overlayers on Pd(111) Studied by Density Functional Theory ^† Todorova, Mira; Reuter, Karsten; Scheffler, Matthias The Journal of Physical Chemistry B, Vol. 108, Issue 38 https://doi.org/10.1021/jp040088t	journal	September 2004
Growth and Characterization of Crystalline Silica Films on Pd(100) Altman, Eric I.; Götzen, Jan; Samudrala, Niveditha The Journal of Physical Chemistry C, Vol. 117, Issue 49 https://doi.org/10.1021/jp4101152	journal	November 2013
Permeation of a Single-Layer SiO ₂ Membrane and Chemistry in Confined Space Emmez, Emre; Yang, Bing; Shaikhutdinov, Shamil The Journal of Physical Chemistry C, Vol. 118, Issue 50 https://doi.org/10.1021/jp503253a	journal	June 2014
Adsorption of Au and Pd on Ruthenium-Supported Bilayer Silica Büchner, Christin; Lichtenstein, Leonid; Stuckenholz, Stefanie The Journal of Physical Chemistry C, Vol. 118, Issue 36 https://doi.org/10.1021/jp5055342	journal	August 2014
Thermally Driven Crossover from Indirect toward Direct Bandgap in 2D Semiconductors: MoSe₂ versus MoS₂ Tongay, Sefaattin; Zhou, Jian; Ataca, Can Nano Letters, Vol. 12, Issue 11, p. 5576-5580 https://doi.org/10.1021/nl302584w	journal	October 2012
Immobilization of single argon atoms in nano-cages of two-dimensional zeolite model systems Zhong, Jian-Qiang; Wang, Mengen; Akter, Nusnin Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms16118	journal	July 2017
Molecular adsorption at Pt(111). How accurate are DFT functionals? Gautier, Sarah; Steinmann, Stephan N.; Michel, Carine Physical Chemistry Chemical Physics, Vol. 17, Issue 43 https://doi.org/10.1039/C5CP04534G	journal	January 2015
Growth of two dimensional silica and aluminosilicate bilayers on Pd(111): from incommensurate to commensurate crystalline Jhang, Jin-Hao; Zhou, Chao; Dagdeviren, Omur E. Physical Chemistry Chemical Physics, Vol. 19, Issue 21 https://doi.org/10.1039/C7CP02382K	journal	January 2017
Thin silica films on Ru(0001): monolayer, bilayer and three-dimensional networks of [SiO4] tetrahedra Yang, Bing; Kaden, William E.; Yu, Xin Physical Chemistry Chemical Physics, Vol. 14, Issue 32 https://doi.org/10.1039/c2cp41355h	journal	January 2012
Growth of single-crystal SiO2 film on Ni(111) surface Kundu, Manisha; Murata, Yoshitada Applied Physics Letters, Vol. 80, Issue 11 https://doi.org/10.1063/1.1461052	journal	March 2002
Density-functional study of oxygen adsorption on Mo(112) Kiejna, Adam; Nieminen, R. M. The Journal of Chemical Physics, Vol. 122, Issue 4 https://doi.org/10.1063/1.1836755	journal	January 2005
Oxygen adsorption on Mo(112) surface studied by ab initio genetic algorithm and experiment Sierka, Marek; Todorova, Tanya K.; Sauer, Joachim The Journal of Chemical Physics, Vol. 126, Issue 23 https://doi.org/10.1063/1.2743427	journal	June 2007
Support effects on the atomic structure of ultrathin silica films on metals Yu, Xin; Yang, Bing; Anibal Boscoboinik, Jorge Applied Physics Letters, Vol. 100, Issue 15 https://doi.org/10.1063/1.3703609	journal	April 2012
Testing several recent van der Waals density functionals for layered structures Björkman, Torbjörn The Journal of Chemical Physics, Vol. 141, Issue 7 https://doi.org/10.1063/1.4893329	journal	August 2014
Two-dimensional atomic crystals Novoselov, K. S.; Jiang, D.; Schedin, F. Proceedings of the National Academy of Sciences, Vol. 102, Issue 30, p. 10451-10453 https://doi.org/10.1073/pnas.0502848102	journal	July 2005
Density functional theory in surface chemistry and catalysis Norskov, J. K.; Abild-Pedersen, F.; Studt, F. Proceedings of the National Academy of Sciences, Vol. 108, Issue 3 https://doi.org/10.1073/pnas.1006652108	journal	January 2011
Probing the properties of metal–oxide interfaces: silica films on Mo and Ru supports Lichtenstein, Leonid; Heyde, Markus; Ulrich, Stefan Journal of Physics: Condensed Matter, Vol. 24, Issue 35 https://doi.org/10.1088/0953-8984/24/35/354010	journal	August 2012
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111) Neugebauer, Jörg; Scheffler, Matthias Physical Review B, Vol. 46, Issue 24 https://doi.org/10.1103/PhysRevB.46.16067	journal	December 1992
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
Higher-accuracy van der Waals density functional Lee, Kyuho; Murray, Éamonn D.; Kong, Lingzhu Physical Review B, Vol. 82, Issue 8 https://doi.org/10.1103/PhysRevB.82.081101	journal	August 2010
Comparative van der Waals density-functional study of graphene on metal surfaces Hamada, Ikutaro; Otani, Minoru Physical Review B, Vol. 82, Issue 15 https://doi.org/10.1103/PhysRevB.82.153412	journal	October 2010
Tuning the electronic structure of ultrathin crystalline silica films on Ru(0001) Włodarczyk, R.; Sierka, M.; Sauer, J. Physical Review B, Vol. 85, Issue 8 https://doi.org/10.1103/PhysRevB.85.085403	journal	February 2012
Exchange functional that tests the robustness of the plasmon description of the van der Waals density functional Berland, Kristian; Hyldgaard, Per Physical Review B, Vol. 89, Issue 3 https://doi.org/10.1103/PhysRevB.89.035412	journal	January 2014
Atomically Thin MoS2 A New Direct-Gap Semiconductor Mak, Kin Fai; Lee, Changgu; Hone, James Physical Review Letters, Vol. 105, Issue 13, Article No.136805 https://doi.org/10.1103/PhysRevLett.105.136805	journal	September 2010
Growth and Structure of Crystalline Silica Sheet on Ru(0001) Löffler, D.; Uhlrich, J. J.; Baron, M. Physical Review Letters, Vol. 105, Issue 14 https://doi.org/10.1103/PhysRevLett.105.146104	journal	September 2010
Structure and Stability of a High-Coverage ( 1 × 1 ) Oxygen Phase on Ru(0001) Stampfl, C.; Schwegmann, S.; Over, H. Physical Review Letters, Vol. 77, Issue 16 https://doi.org/10.1103/PhysRevLett.77.3371	journal	October 1996
Molecular Precursors in the Dissociative Adsorption of O 2 on Pt(111) Eichler, A.; Hafner, J. Physical Review Letters, Vol. 79, Issue 22 https://doi.org/10.1103/PhysRevLett.79.4481	journal	December 1997
Atomic Structure of a Thin Silica Film on a Mo(112) Substrate: A Two-Dimensional Network of SiO 4 Tetrahedra Weissenrieder, J.; Kaya, S.; Lu, J. -L. Physical Review Letters, Vol. 95, Issue 7 https://doi.org/10.1103/PhysRevLett.95.076103	journal	August 2005

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