Mechanism of CO Intercalation through the Graphene/Ni(111) Interface and Effect of Doping

graphene; carbon monoxide; gas storage; intercalation; surface science; scanning tunneling microscopy; density functional theory; ultra-high vacuum; ultra high vacuum; nanotechnology; 2d materials

Abstract :

[en] Molecules intercalate at the graphene/metal interface even though defect-free graphene is impermeable to any atomic and molecular species in the gas and liquid phase, except hydrogen. The mechanism of molecular intercalation is still a big open question. In this Letter, by means of a combined experimental (STM, XPS, and LEED) and theoretical (DFT) study, we present a proof of how CO molecules succeed in permeating the graphene layer and get into the confined zone between graphene and the Ni(111) surface. The presence of N-dopants in the graphene layer is found to highly facilitate the permeation process, reducing the CO threshold pressure by more than one order of magnitude, through the stabilization of multiatomic vacancy defects that are the open doors to the bidimensional nanospace, with crucial implications for the catalysis under cover and for the graphene-based electrochemistry.

Disciplines :

Physics

Author, co-author :

Perilli, D.

Fiori, S.

PANIGHEL, Mirco ; CNR - Istituto Officina dei Materiali (IOM), Trieste, Laboratorio TASC, Strada Statale 14, km 163.5, 34149 Basovizza, Italy

Liu, H.

Cepek, C.

Peressi, M.

Comelli, G.

Africh, C.

Di Valentin, C.

External co-authors :

yes

Language :

English

Title :

Mechanism of CO Intercalation through the Graphene/Ni(111) Interface and Effect of Doping

Publication date :

2020

Journal title :

Journal of Physical Chemistry Letters

eISSN :

1948-7185

Volume :

Issue :

Pages :

8887 - 8892

Peer reviewed :

Peer Reviewed verified by ORBi

Focus Area :

Physics and Materials Science

Development Goals :

12. Responsible consumption and production

Additional URL :

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85093538321&doi=10.1021%2facs.jpclett.0c02447&partnerID=40&md5=23b7415d417b356fb22fea818e9380bb

Funding text :

This work has been supported by the project “MADAM - Metal Activated 2D cArbon-based platforMs” funded by the MIUR Progetti di Ricerca di Rilevante Interesse Nazionale (PRIN) Bando 2017 - Grant 2017NYPHN8 and by the program “Finanziamento di Ateneo per progetti di ricerca scientifici – FRA 2018” University of Trieste.

Available on ORBilu :

since 01 August 2024

Statistics

Number of views

35 (1 by Unilu)

Number of downloads

16 (0 by Unilu)

More statistics

Scopus citations^®

Scopus citations^®
without self-citations

OpenCitations

OpenAlex citations

Bibliography

Jin, L.; Fu, Q.; Dong, A.; Ning, Y.; Wang, Z.; Bluhm, H.; Bao, X. Surface chemistry of CO on Ru (0001) under the confinement of graphene cover. J. Phys. Chem. C 2014, 118, 12391-12398, 10.1021/jp5034855
Fu, Q.; Bao, X. Surface chemistry and catalysis confined under two-dimensional materials. Chem. Soc. Rev. 2017, 46, 1842-1874, 10.1039/C6CS00424E
Li, H.; Xiao, J.; Fu, Q.; Bao, X. Confined catalysis under two-dimensional materials. Proc. Natl. Acad. Sci. U. S. A. 2017, 114, 5930-5934, 10.1073/pnas.1701280114
Ma, D.; Zhang, Y.; Liu, M.; Ji, Q.; Gao, T.; Zhang, Y.; Liu, Z. Clean transfer of graphene on Pt foils mediated by a carbon monoxide intercalation process. Nano Res. 2013, 6, 671-678, 10.1007/s12274-013-0342-6
Palacio, I.; Otero-Irurueta, G.; Alonso, C.; Martínez, J. I.; López-Elvira, E.; Muñoz-Ochando, I.; Salavagione, H. J.; López, M. F.; García-Hernandez, M.; Méndez, J.; Ellis, G. J.; Martín Gago, J. A. Chemistry below graphene: Decoupling epitaxial graphene from metals by potential-controlled electrochemical oxidation. Carbon 2018, 129, 837-846, 10.1016/j.carbon.2017.12.104
Zahra, K. M.; Byrne, C.; Alieva, A.; Casiraghi, C.; Walton, A. S. Intercalation, decomposition, entrapment-a new route to graphene nanobubbles. Phys. Chem. Chem. Phys. 2020, 22, 7606-7615, 10.1039/D0CP00592D
Mu, R.; Fu, Q.; Jin, L.; Yu, L.; Fang, G.; Tan, D.; Bao, X. Visualizing chemical reactions confined under graphene. Angew. Chem., Int. Ed. 2012, 51, 4856-4859, 10.1002/anie.201200413
Granas, E.; Andersen, M.; Arman, M. A.; Gerber, T.; Hammer, B.; Schnadt, J.; Andersen, J. N.; Michely, T.; Knudsen, J. CO intercalation of graphene on Ir (111) in the millibar regime. J. Phys. Chem. C 2013, 117, 16438-16447, 10.1021/jp4043045
Wei, M.; Fu, Q.; Yang, Y.; Wei, W.; Crumlin, E.; Bluhm, H.; Bao, X. Modulation of surface chemistry of CO on Ni (111) by surface graphene and carbidic carbon. J. Phys. Chem. C 2015, 119, 13590-13597, 10.1021/acs.jpcc.5b01395
Silva, C. C.; Cai, J.; Jolie, W.; Dombrowski, D.; Farwick zum Hagen, F. H.; Martínez-Galera, A. J.; Schlueter, C.; Lee, T.-L.; Busse, C. Lifting Epitaxial Graphene by Intercalation of Alkali Metals. J. Phys. Chem. C 2019, 123, 13712-13719, 10.1021/acs.jpcc.9b02442
Petrović, M.; Rakić, I. Š.; Runte, S.; Busse, C.; Sadowski, J. T.; Lazić, P.; Pletikosić, I.; Pan, Z.-H.; Milun, M.; Pervan, P.; Atodiresei, N.; Brako, R.; Šokčević, D.; Valla, T.; Michely, T.; Kralj, M. The mechanism of caesium intercalation of graphene. Nat. Commun. 2013, 4, 2772, 10.1038/ncomms3772
He, G.; Wang, Q.; Yu, H. K.; Farías, D.; Liu, Y.; Politano, A. Water-induced hydrogenation of graphene/metal interfaces at room temperature: Insights on water intercalation and identification of sites for water splitting. Nano Res. 2019, 12, 3101-3108, 10.1007/s12274-019-2561-y
Bunch, J. S.; Verbridge, S. S.; Alden, J. S.; Van Der Zande, A. M.; Parpia, J. M.; Craighead, H. G.; McEuen, P. L. Impermeable atomic membranes from graphene sheets. Nano Lett. 2008, 8, 2458-2462, 10.1021/nl801457b
Sun, P. Z.; Yang, Q.; Kuang, W. J.; Stebunov, Y. V.; Xiong, W. Q.; Yu, J.; Nair, R. R.; Katsnelson, M. I.; Yuan, S. J.; Grigorieva, I. V.; Lozada-Hidalgo, M.; Wang, F. C.; Geim, A. K. Limits on gas impermeability of graphene. Nature 2020, 579, 229-232, 10.1038/s41586-020-2070-x
Yoon, H. W.; Cho, Y. H.; Park, H. B. Graphene-based membranes: status and prospects. Philos. Trans. R. Soc., A 2016, 374, 20150024, 10.1098/rsta.2015.0024
Kim, H. W.; Yoon, H. W.; Yoon, S.-M.; Yoo, B. M.; Ahn, B. K.; Cho, Y. H.; Shin, H. J.; Yang, H.; Paik, U.; Kwon, S.; Choi, J.-Y.; Park, H. B. Selective gas transport through few-layered graphene and graphene oxide membranes. Science 2013, 342, 91-95, 10.1126/science.1236098
Pierleoni, D.; Minelli, M.; Ligi, S.; Christian, M.; Funke, S.; Reineking, N.; Morandi, V.; Doghieri, F.; Palermo, V. Selective gas permeation in graphene oxide-polymer self-assembled multilayers. ACS Appl. Mater. Interfaces 2018, 10, 11242-11250, 10.1021/acsami.8b01103
Ibrahim, A.; Lin, Y. S. Gas permeation and separation properties of large-sheet stacked graphene oxide membranes. J. Membr. Sci. 2018, 550, 238-245, 10.1016/j.memsci.2017.12.081
Wang, L.; Drahushuk, L. W.; Cantley, L.; Koenig, S. P.; Liu, S.; Pellegrino, J.; Strano, M. S.; Bunch, J. S. Molecular valves for controlling gas phase transport made from discrete ångström-sized pores in graphene. Nat. Nanotechnol. 2015, 10, 785-790, 10.1038/nnano.2015.158
Mallineni, S. S. K.; Boukhvalov, D. W.; Zhidkov, I. S.; Kukharenko, A. I.; Slesarev, A. I.; Zatsepin, A. F.; Cholakh, S. O.; Rao, A. M.; Serkiz, S. M.; Bhattacharya, S.; Kurmaev, E. Z.; Podila, R. Influence of dopants on the impermeability of graphene. Nanoscale 2017, 9, 6145-6150, 10.1039/C7NR00949F
Bianchini, F.; Patera, L. L.; Peressi, M.; Africh, C.; Comelli, G. Atomic scale identification of coexisting graphene structures on Ni (111). J. Phys. Chem. Lett. 2014, 5, 467-473, 10.1021/jz402609d
Fiori, S.; Perilli, D.; Panighel, M.; Cepek, C.; Ugolotti, A.; Sala, A.; Liu, H.; Comelli, G.; Di Valentin, C.; Africh, C. "Inside Out" Growth Method for High-Quality Nitrogen-Doped Graphene. Carbon 2021, 171, 704-710, 10.1016/j.carbon.2020.09.056
Campuzano, J. C.; Dus, R.; Greenler, R. G. The sticking probability, dipole moment, and absolute coverage of CO on Ni (111). Surf. Sci. 1981, 102, 172-184, 10.1016/0039-6028(81)90314-9
Erley, W.; Besocke, K.; Wagner, H. Absolute coverage determination of CO on Ni (111). J. Chem. Phys. 1977, 66, 5269-5273, 10.1063/1.433907
Wei, M.; Fu, Q.; Yang, Y.; Wei, W.; Crumlin, E.; Bluhm, H.; Bao, X. Modulation of surface chemistry of CO on Ni (111) by surface graphene and carbidic carbon. J. Phys. Chem. C 2015, 119, 13590-13597, 10.1021/acs.jpcc.5b01395
Held, G.; Schuler, J.; Sklarek, W.; Steinrück, H. P. Determination of adsorption sites of pure and coadsorbed CO on Ni (111) by high resolution X-ray photoelectron spectroscopy. Surf. Sci. 1998, 398, 154-171, 10.1016/S0039-6028(98)80020-4
Mallet, P.; Varchon, F.; Naud, C.; Magaud, L.; Berger, C.; Veuillen, J. Y. Electron states of mono-and bilayer graphene on SiC probed by scanning-tunneling microscopy. Phys. Rev. B: Condens. Matter Mater. Phys. 2007, 76, 041403, 10.1103/PhysRevB.76.041403
Carnevali, V.; Patera, L. L.; Prandini, G.; Jugovac, M.; Modesti, S.; Comelli, G.; Peressi, M.; Africh, C. Doping of epitaxial graphene by direct incorporation of nickel adatoms. Nanoscale 2019, 11, 10358-10364, 10.1039/C9NR01072F
Dong, A.; Fu, Q.; Wu, H.; Wei, M.; Bao, X. Factors controlling the CO intercalation of h-BN overlayers on Ru (0001). Phys. Chem. Chem. Phys. 2016, 18, 24278-24284, 10.1039/C6CP03660K
Patera, L. L.; Bianchini, F.; Troiano, G.; Dri, C.; Cepek, C.; Peressi, M.; Africh, C.; Comelli, G. Temperature-driven changes of the graphene edge structure on Ni (111): Substrate vs hydrogen passivation. Nano Lett. 2015, 15, 56-62, 10.1021/nl5026985
Zhu, X. D.; Rasing, T.; Shen, Y. R. Surface diffusion of CO on Ni (111) studied by diffraction of optical second-harmonic generation off a monolayer grating. Phys. Rev. Lett. 1988, 61, 2883, 10.1103/PhysRevLett.61.2883
Lin, T. S.; Lu, H. J.; Gomer, R. Diffusion of CO on Ni (111) and Ni (115). Surf. Sci. 1990, 234, 251-261, 10.1016/0039-6028(90)90558-P