Unveiling Liquid-Phase Exfoliation of Graphite and Boron Nitride Using Fluorescent Dyes Through Combined Experiments and Simulations.
2D materials
adsorption
molecular self-assembly
sonication-assisted exfoliation
Journal
Small (Weinheim an der Bergstrasse, Germany)
ISSN: 1613-6829
Titre abrégé: Small
Pays: Germany
ID NLM: 101235338
Informations de publication
Date de publication:
24 Jan 2024
24 Jan 2024
Historique:
revised:
04
01
2024
received:
07
09
2023
medline:
25
1
2024
pubmed:
25
1
2024
entrez:
24
1
2024
Statut:
aheadofprint
Résumé
Liquid-phase exfoliation (LPE) in aqueous solutions provides a simple, scalable, and green approach to produce 2D materials. By combining atomistic simulations with exfoliation experiments, the interaction between a surfactant and a 2D layer at the molecular scale can be better understood. In this work, two different dyes, corresponding to rhodamine B base (Rbb) and to a phenylboronic acid BODIPY (PBA-BODIPY) derivative, are employed as dispersants to exfoliate graphene and hexagonal boron nitride (hBN) through sonication-assisted LPE. The exfoliated 2D sheets, mostly as few-layers, exhibit good quality and high loading of dyes. Using molecular dynamics (MD) simulations, the binding free energies are calculated and the arrangement of both dyes on the layers are predicted. It has been found that the dyes show a higher affinity toward hBN than graphene, which is consistent with the higher yields of exfoliated hBN. Furthermore, it is demonstrated that the adsorption behavior of Rbb molecules on graphene and hBN is quite different compared to PBA-BODIPY.
Identifiants
pubmed: 38267819
doi: 10.1002/smll.202307817
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
e2307817Subventions
Organisme : Agence Nationale de la Recherche
ID : ANR-10-LABX-0026_CSC
Organisme : Generalitat Valenciana
ID : CIAPOS/2021/255
Organisme : EU Graphene Flagship
ID : 881603
Organisme : Singapore Ministry of Education (MOE) Academic Research Fund (AcRF) Tier 1
ID : RG138/20
Organisme : Singapore Ministry of Education (MOE) Academic Research Fund (AcRF) Tier 1
ID : RG135/22
Organisme : The Agency of Science, Technology & Research (A*STAR) Start-up Grant
Organisme : High Performance Computing Centre at Nanyang Technological University
Organisme : National Supercomputing Centre, Singapore
Organisme : Nanyang Technological University Start-up Grant
Organisme : CINECA national computing center
Organisme : PHC Merlion program 2023
ID : 49627WG
Organisme : PHC GALILEE 2022 program
ID : 47791TD&G22_121
Informations de copyright
© 2024 Wiley-VCH GmbH.
Références
C. Zhu, D. Du, Y. Lin, 2D Mater. 2015, 2, 032004.
P. Tao, S. Yao, F. Liu, B. Wang, F. Huang, M. Wang, J. Mater. Chem. A. 2019, 7, 23512.
S. Angizi, S. A. A. Alem, M. Hasanzadeh Azar, F. Shayeganfar, M. I. Manning, A. Hatamie, A. Pakdel, A. Simchi, Prog. Mater. Sci. 2022, 124, 100884.
S. Yu, X. Wang, H. Pang, R. Zhang, W. Song, D. Fu, T. Hayat, X. Wang, Chem. Eng. J. 2018, 333, 343.
K. Hantanasirisakul, Y. Gogotsi, Adv. Mater. 2018, 30, 1804779.
F. Shahzad, A. Iqbal, H. Kim, C. M. Koo, Adv. Mater. 2020, 32, 2002159.
M. Chhowalla, Z. Liu, H. Zhang, Chem. Soc. Rev. 2015, 44, 2584.
J. Ping, Z. Fan, M. Sindoro, Y. Ying, H. Zhang, Adv. Funct. Mater. 2017, 27, 1605817.
L. Qin, S. Jiang, H. He, G. Ling, P. Zhang, J. Control Release. 2020, 318, 50.
V. Eswaraiah, Q. Zeng, Y. Long, Z. Liu, Small. 2016, 12, 3480.
S. M. Kim, A. Hsu, M. H. Park, S. H. Chae, S. J. Yun, J. S. Lee, D.-H. Cho, W. Fang, C. Lee, T. Palacios, M. Dresselhaus, K. K. Kim, Y. H. Lee, J. Kong, Nat. Commun. 2015, 6, 8662.
N. Wang, G. Yang, H. Wang, C. Yan, R. Sun, C.-P. Wong, Mater. Today. 2019, 27, 33.
W. Luo, Y. Wang, E. Hitz, Y. Lin, B. Yang, L. Hu, Adv. Funct. Mater. 2017, 27, 1701450.
A. Ciesielski, P. Samorì, Adv. Mater. 2016, 28, 6030.
A. Ciesielski, P. Samorì, Chem. Soc. Rev. 2014, 43, 381.
X. Zhang, A. C. Coleman, N. Katsonis, W. R. Browne, B. J. Van Wees, B. L. Feringa, Chem. Commun. 2010, 46, 7539.
A. Jawaid, D. Nepal, K. Park, M. Jespersen, A. Qualley, P. Mirau, L. F. Drummy, R. A. Vaia, Chem. Mater. 2016, 28, 337.
S. Roy, A. Mondal, V. Yadav, A. Sarkar, R. Banerjee, P. Sanpui, A. Jaiswal, ACS Appl. Bio. Mater. 2019, 2, 2738.
Z. Miao, D. Huang, Y. Wang, W.-J. Li, L. Fan, J. Wang, Y. Ma, Q. Zhao, Z. Zha, Adv. Funct. Mater. 2020, 30, 2001593.
X. Xu, J. Wu, Z. Meng, Y. Li, Q. Huang, Y. Qi, Y. Liu, D. Zhan, X. Y. Liu, ACS Appl. Nano Mater. 2018, 1, 5460.
C.-X. Hu, Y. Shin, O. Read, C. Casiraghi, Nanoscale. 2021, 13, 460.
R. J. Smith, P. J. King, M. Lotya, C. Wirtz, U. Khan, S. De, A. O'neill, G. S. Duesberg, J. C. Grunlan, G. Moriarty, J. Chen, J. Wang, A. I. Minett, V. Nicolosi, J. N. Coleman, Adv. Mater. 2011, 23, 3944.
D. Parviz, S. Das, H. S. T. Ahmed, F. Irin, S. Bhattacharia, M. J. Green, ACS Nano. 2012, 6, 8857.
H. Yan, Y. Hernandez, A. Schlierf, A. Felten, A. Eckmann, S. Johal, P. Louette, J.-J. Pireaux, X. Feng, K. Mullen, V. Palermo, C. Casiraghi, Carbon. 2013, 53, 357.
M. Lotya, Y. Hernandez, P. J. King, R. J. Smith, V. Nicolosi, L. S. Karlsson, F. M. Blighe, S. De, Z. Wang, I. T. Mcgovern, G. S. Duesberg, J. N. Coleman, J. Am. Chem. Soc. 2009, 131, 3611.
S. De, P. J. King, M. Lotya, A. O'neill, E. M. Doherty, Y. Hernandez, G. S. Duesberg, J. N. Coleman, Small. 2010,6, 458.
X. Liu, G. Duan, W. Li, Z. Zhou, R. Zhou, RSC Adv. 2017, 7, 37873.
M. A. Lucherelli, X. Qian, P. Weston, M. Eredia, W. Zhu, P. Samorì, H. Gao, A. Bianco, A. Von Dem Bussche, Adv. Mater. 2021, 33, 2103137.
M. Beija, C. A. M. Afonso, J. M. G. Martinho, Chem. Soc. Rev. 2009, 38, 2410.
T. Zhang, C. Ma, T. Sun, Z. Xie, Coord. Chem. Rev. 2019, 390, 76.
C. Liu, C. N. Scott, Dyes Pigm. 2021, 196, 109792.
Y. Su, S. Lu, P. Gao, M. Zheng, Z. Xie, Mater. Chem. Front. 2019, 3, 1747.
Y. Xue, J. Lee, H.-J. Kim, H.-J. Cho, X. Zhou, Y. Liu, P. Tebon, T. Hoffman, M. Qu, H. Ling, X. Jiang, Z. Li, S. Zhang, W. Sun, S. Ahadian, M. R. Dokmeci, K. Lee, A. Khademhosseini, ACS Appl. Bio. Mater. 2020, 3, 6908.
Z. Li, M. Zheng, X. Guan, Z. Xie, Y. Huang, X. Jing, Nanoscale. 2014, 6, 5662.
V. Kumar, A. Kumar, D. J. Lee, S. S. Park, Materials 2021, 14, 4590.
S. Atilgan, Z. Ekmekci, A. L. Dogan, D. Guc, E. U. Akkaya, Chem. Commun. 2006, 42, 4398.
D. Maheshwaran, T. Nagendraraj, T. S. Balaji, G. Kumaresan, S. S. Kumaranc, R. Mayilmurugan, Dalton Trans. 2020, 41, 14680.
T. Loret, L. A. V. De Luna, M. A. Lucherelli, A. Fordham, N. Lozano, A. Bianco, K. Kostarelos, C. Bussy, Small. 2023, 19, 2301201.
G. E. Giacomazzo, P. Palladino, C. Gellini, G. Salerno, V. Baldoneschi, A. Feis, S. Scarano, M. Minunni, B. Richichi, RSC Adv. 2019, 9, 30773.
X. Qian, M. A. Lucherelli, C. Corcelle, A. Bianco, H. Gao, Forces Mech. 2022, 8, 100098.
M. A. Creighton, W. Zhu, F. Van Krieken, R. A. Petteruti, H. Gao, R. H. Hurt, ACS Nano. 2016, 10, 2268.
A. K. Malde, L. Zuo, M. Breeze, M. Stroet, D. Poger, P. C. Nair, C. Oostenbrink, A. E. Mark, J. Chem. Theory Comput. 2011, 7, 4026.
S. Canzar, M. El-Kebir, R. Pool, K. Elbassioni, A. K. Malde, A. E. Mark, D. P. Geerke, L. Stougie, G. W. Klau, J. Comput. Biol. 2013, 20, 188.
K. B. Koziara, M. Stroet, A. K. Malde, A. E. Mark, J. Comput. Aided Mol. Des. 2014, 28, 221.
N. Schmid, A. P. Eichenberger, A. Choutko, S. Riniker, M. Winger, A. E. Mark, W. F. Van Gunsteren, Eur. Biophys. J. 2011, 40, 843.
H. J. C. Berendsen, J. R. Grigera, T. P. Straatsma, J. Phys. Chem. 1987, 91, 6269.
X. Pan, H. Wang, C. Li, J. Z. H. Zhang, C. Ji, J. Chem. Inf. Model. 2021, 61, 3159.
W. Hehre, R. Ditchfield, J. Pople, J. Chem. Phys. 1972, 56, 32.
F. London, J. Phys. Radium. 1937, 8, 397.
P. K. Walhout, Z. He, B. Dutagaci, G. Nawrocki, M. Feig, J. Phys. Chem. B. 2022, 126, 10256.
U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, L. G. Pedersen, J. Phys. Chem. 1995, 103, 8577.
J. Wang, Y. Deng, B. Roux, Biophys. J. 2006, 91, 2798.
P. V. Klimovich, M. R. Shirts, D. L. Mobley, J. Comput. Aided Mol. Des. 2015, 29, 397.
A. S. J. S. Mey, B. K. Allen, H. E. Bruce Macdonald, J. D. Chodera, D. F. Hahn, M. Kuhn, J. Michel, D. L. Mobley, L. N. Naden, S. Prasad, A. Rizzi, J. Scheen, M. R. Shirts, G. Tresadern, H. Xu, Living J. Comput. Mol. Sci. 2020, 2, 18378.
A. M. Ferrenberg, R. H. Swendsen, Phys. Rev. Lett. 1989, 63, 1195.
S. Kumar, J. M. Rosenberg, D. Bouzida, R. H. Swendsen, P. A. Kollman, J. Comput. Chem. 1992, 13, 1011.
B. Roux, Comput. Phys. Commun. 1995, 91, 275.
M. Abraham, T. J. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E. Lindahl, SoftwareX. 2015, 1, 19.
S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl, Lecture Notes in Computer Science, Springer, Cham 2015.
S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R. Shirts, J. C. Smith, P. M. Kasson, D. Van Der Spoel, B. Hess, E. Lindahl, Bioinformatics. 2013, 29, 845.
B. Hess, C. Kutzner, D. Van Der Spoel, E. Lindahl, J. Chem. Theory Comput. 2008, 4, 435.
D. Van Der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark, H. J. C. Berendsen, J. Comput. Chem. 2005, 26, 1701.
E. Lindahl, B. Hess, D. Van Der Spoel, J. Mol. Model. 2001, 7, 306.
H. J. C. Berendsen, D. Van Der Spoel, R. Van Drunen, Comput. Phys. Commun. 1995, 91, 43.
W. Liu, C. Zhao, R. Zhou, D. Zhou, Z. Liu, X. Lu, Nanoscale. 2015, 7, 9919.
M. A. Saiful Badri, M. M. Salleh, N. F. M. Noor, M. Y. A. Rahman, A. A. Umar, Mater. Chem. Phys. 2017, 193, 212.
S.-R. Shin, D.-S. Lee, Nanomaterials. 2022, 12, 685.
U. Kalsoom, M. S. Rafique, S. Shahzadi, K. Fatima, R. Shaheen, Mater. Sci. Pol. 2017, 35, 687.
Z. Lin, P. Karthik, M. Hada, T. Nishikawa, Y. Hayashi, Nanomaterials. 2017, 7, 125.
A. Chae, S.-J. Park, B. Min, I. In, Mater. Res. Express. 2018, 5, 015036.
N. Mittal, G. Kedawat, S. G. Kanika, B. K. Gupta, Chemistry Select. 2020, 5, 12564.
S. K. Mudedla, K. Balamurugan, V. Subramanian, J. Phys. Chem. C 2016, 120, 28246.
T. R. Walsh, M. R. Knecht, Bioconjug. Chem. 2019, 30, 2727.
M. Mijajlovic, M. J. Penna, M. J. Biggs, Langmuir 2013, 29, 2919.