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Synergistic modulation of ionic selectivity in graphene pores modified by crown ether |
| Yanbo Xin(辛延波)1, Qin Gao(高勤)3, Jiangshun Huang(黄江顺)2, Paul K. Chu(朱剑豪)4, and Anping Huang(黄安平)2,† |
1 Department of Fundamental Courses, Shanxi Institute of Technology, Yangquan 045000, China;
2 School of Physics, Beihang University, Beijing 100191, China;
3 School of Applied Science, Beijing Information Science & Technology University, Beijing 102202, China;
4 Department of Physics, Department of Materials Science and Engineering, and Department of Biomedical Engineering, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong, China |
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Abstract Achieving high ion selectivity in atomically thin membranes represents a critical step toward advanced gatingcontrolled ionic transport in nanofluidic applications such as logic gates and biosensors. Herein, monolayer graphene pores modified by crown ether are constructed to systematically investigate the ion selectivity in both vacuum and aqueous environments from a theoretical perspective. Synergistic optimization of charge distribution and pore size significantly improves the ion selectivity, showing a cation/anion selectivity ratio of up to 102. The energy profiles for ion penetration (e.g., Li+, Na+, K+, Cl-, Br-) are modulated by tailoring the pore size and introducing charges, as validated by kinetic analysis of ion-free diffusion and electroosmotic flow. The fundamental ion-sieving mechanism is further elucidated by examining the dependence of ion currents on carrier concentration in the nanopores. These findings on ion transport pave the way for artificial nanochannel membrane applications in nanofluidic circuits and biomimetic sensors.
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Received: 07 January 2026
Revised: 24 March 2026
Accepted manuscript online: 08 April 2026
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PACS:
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61.46.-w
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(Structure of nanoscale materials)
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82.39.Wj
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(Ion exchange, dialysis, osmosis, electro-osmosis, membrane processes)
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87.16.dp
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(Transport, including channels, pores, and lateral diffusion)
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87.16.Vy
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(Ion channels)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 52473251 and 52403315), the Industry University Research Cooperation Fund of the Eighth Research Institute of China Aerospace Science and Technology Corporation (Grant No.SAST2023-030), the National Key Research and Development Program of China (Grant No. 2021YFB3900701), Scientific and Technologial Innovation Program of Higher Education Institutions in Shanxi Province, China (Grant No. 2025L142), and City University of Hong Kong Donation Research Grant (Grant Nos. DONRMG9229021 and 9220061). |
Cite this article:
Yanbo Xin(辛延波), Qin Gao(高勤), Jiangshun Huang(黄江顺), Paul K. Chu(朱剑豪), and Anping Huang(黄安平) Synergistic modulation of ionic selectivity in graphene pores modified by crown ether 2026 Chin. Phys. B 35 086102
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[1] Deursen P M G, Tang Z, Winter A, Mohn M J, Kaiser U, Turchanin A A and Schneider G F 2019 Nanoscale 11 20785
[2] Walker M I, Ubych K, Saraswat V, Chalklen E A, Braeuninger-Weimer P, Caneva S, Weatherup R S, Hofmann S and Keyser U F 2017 ACS Nano 11 1340
[3] Esfandiar A, Radha B, Wang F C, Yang Q, Hu S, Garaj S, Nair R R, Geim A K and Gopinadhan K 2017 Science 358 511
[4] Xiao K, Li D J and Wu C X 2018 Chin. Phys. B 27 024702
[5] Sahu S and Zwolak M 2019 Rev. Mod. Phys. 91 21004
[6] Aluru N R, Aydin F, Bazant M Z, Blankschtein D, Brozena A H, de Souza J P, Elimelech M, Faucher S, Fourkas J T, Koman V B, Kuehne M, Kulik H J, Li H K, Li Y, Li Z, Majumdar A, Martis J, Misra R P, Noy A, Pham T A, Qu H, Rayabharam A, Reed M A, Ritt C L, Schwegler E, Siwy Z, Strano M S, Wang Y, Yao Y C, Zhan C and Zhang Z 2023 Chem. Rev. 123 2737
[7] Bhardwaj A, Surmani Martins M V, You Y, Sajja R, Rimmer M, Goutham S, Qi R, Abbas Dar S, Radha B and Keerthi A 2024 Nat. Protoc. 19 240
[8] Kim S, Choi H, Kim B, Lim G, Kim T, Lee M, Ra H, Yeom J, Kim M, Kim E, Hwang J, Lee J S and Shim W 2023. Adv. Mater. 35 2206354
[9] Zhang X Q, Wen L P and Jiang L 2019 Acta Phys. Sin. 68 018801 (in Chinese)
[10] Abdulazeez I 2022 J. Phys. Chem. Solids 171 110983
[11] Kochaev A, Katin K and Maslov M 2023 Mater. Today Chem. 30 101512
[12] Xin Y, Gao Q, Huang J, Gao J, Geng X, Shi H, Wang M, Xiao Z, Chu P K and Huang A 2023 Mater. Today Chem. 34 101767
[13] Fang A, Kroenlein K, Riccardi D and Smolyanitsky A 2019 Nat. Mater. 18 76
[14] Noh Y and Smolyanitsky A 2024 J. Phys. Chem. Lett. 15 665
[15] Smolyanitsky A, Paulechka E and Kroenlein K 2018 ACS Nano 12 6677
[16] Ge M, Wei C, Fang T and Liu X 2024 Sep. Purif. Technol. 338 126415
[17] Bang K R, Bahamon D, Vega L F and Cho E S 2020 Adv. Mater. Interfaces 7 1901876
[18] Ye Y S, Mohamed M G, Tsai M C, Hu H Y, Hwang B J and Kuo S W 2024 J. Mater. Chem. A 12 25346
[19] Baudino L, Pedico A, Bianco S, Periolatto M, Pirri C F and Lamberti A 2022 Membranes 12 233
[20] Jing Z, Wang G, Zhou Y, Pang D, Zhu F and Liu H 2020 J. Mol. Liq. 311 113305
[21] Zhang Y, Di F, Li P and Xiong R 2022 Chem. Eur. J. 28 e202102990
[22] Li J, Yim D, Jang W D and Yoon J 2017 Chem. Soc. Rev. 46 2437
[23] Kresse G and Furthmuller J1996 Phys. Rev. B 54 11169
[24] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[25] Sheppard D, Xiao P, Chemelewski W, Johnson D D and Henkelman G 2012 J. Chem. Phys. 136 074103
[26] Trucano P and Chen R 1975 Nature 258 136
[27] Momma K and Izumi F 2011 J. Appl. Crystallogr. 44 1272
[28] Thompson A P, Aktulga H M, Berger R, Bolintineanu D S, Brown W M, Crozier P S, Pieter J, Kohlmeyer A, Moore S G, Dac T, Shan R, Stevens M J, Tranchida J, Trott C and Plimpton S J 2022 Comput. Phys. Commun. 271 108171
[29] Miao M, Nardelli M B, Wang Q and Liu Y 2013 Phys. Chem. Chem. Phys. 15 16132
[30] Xin Y, Huang A, Hu Q, Shi H, Wang M, Xiao Z, Zheng X, Di Z and Chu P K 2018 Adv. Theory Simul. 1 1700009
[31] Hu S, Lozada-Hidalgo M, Wang F C, Mishchenko A, Schedin F, Nair R R, Hill E W, Boukhvalov D W, Katsnelson M I, Dryfe R A W, Grigorieva I V, Wu H A and Geim A K 2014 Nature 516 227
[32] Lin A, Shi J, Wei S H and Sun Y Y 2024 Chin Phys. B 33 086601
[33] Han M X, Ji Z Y, Shang L W, Chen Y P, Wang H, Liu X, Li D M and Liu M 2011 Chin Phys. B 20 086102
[34] Xu W Y, Huang L, Que Y D, Lin X, Wang Y L, Du S X and Gao H J 2014 Chin Phys. B 23 088108
[35] Wang Y, Kiziltas A, Blanchard P and Walsh T R 2021 Comput. Phys. Commun. 266 108032
[36] Humphrey W, Dalke A and Schulten K 1996 J. Mol. Graph. 14 33 |
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