[1] [1] BAUGHMAN R H, ZAKHIDOV A A, DE HEER W A. Carbon nanotubes: the route toward applications［J］. Science, 2002, 297(5582): 787-792.

[2] [2] CUBAYNES T, CONTAMIN L C, DARTIAILH M C, et al. Nanoassembly technique of carbon nanotubes for hybrid circuit-QED［J］. Applied Physics Letters, 2020, 117(11): 114001.

[3] [3] ARTYUKHOV V I, GUPTA S, KUTANA A, et al. Flexoelectricity and charge separation in carbon nanotubes［J］. Nano Letters, 2020, 20(5): 3240-3246.

[4] [4] CHU H W, LI Y, WANG C, et al. Recent investigations on nonlinear absorption properties of carbon nanotubes［J］. Nanophotonics, 2020, 9(4): 761-781.

[6] [6] HONG S, LEE D M, PARK M, et al. Controlled synthesis of N-type single-walled carbon nanotubes with 100% of quaternary nitrogen［J］. Carbon, 2020, 167: 881-887.

[7] [7] DE VOLDER M F L, TAWFICK S H, BAUGHMAN R H, et al. Carbon nanotubes: present and future commercial applications［J］. Science, 2013, 339(6119): 535-539.

[8] [8] DOMINGUEZ-FLORES F, SANTOS E, SCHMICKLER W, et al. Interaction between chloride ions mediated by carbon nanotubes: a chemical attraction［J］. Journal of Solid State Electrochemistry, 2020, 24(11/12): 3207-3214.

[9] [9] DRESSELHAUS M S, DRESSELHAUS G. Intercalation compounds of graphite［J］. Advances in Physics, 2002, 51(1): 1-186.

[10] [10] HWANG T, CHO M, CHO K. Interlayer design of pillared graphite by Na-halide cluster intercalation for anode materials of sodium-ion batteries［J］. ACS Omega, 2021, 6(14): 9492-9499.

[11] [11] LI X J, LEI Y, QIN L, et al. Mildly-expanded graphite with adjustable interlayer distance as high-performance anode for potassium-ion batteries［J］. Carbon, 2021, 172: 200-206.

[12] [12] MIAO Z Z, LI X L, ZHANG X H, et al. Reversible functionalization: a scalable way to deliver the structure and interface of graphene for different macro applications［J］. Advanced Materials Interfaces, 2016, 3(8): 1500842.

[13] [13] WEHENKEL D J, BOINTON T H, BOOTH T, et al. Unforeseen high temperature and humidity stability of FeCl3 intercalated few layer graphene［J］. Scientific Reports, 2015, 5: 7609.

[14] [14] ZHOU W C, SIT P H L. First-principles understanding of the staging properties of the graphite intercalation compounds towards dual-ion battery applications［J］. ACS Omega, 2020, 5(29): 18289-18300.

[15] [15] XU Q, WANG Q W, CHEN D Q, et al. Silicon/graphite composite anode with constrained swelling and a stable solid electrolyte interphase enabled by spent graphite［J］. Green Chemistry, 2021, 23(12): 4531-4539.

[16] [16] SREERAJ K A, SHAJAHAN A S, CHAKRABORTY B, et al. The role of carbon nanotubes in enhanced charge storage performance of VSe2: experimental and theoretical insight from DFT simulations［J］. RSC Advances, 2020, 10(53): 31712-31719.

[17] [17] YUKSEL N, KOSE A, FELLAH M F. Pd, Ag and Rh doped (8, 0) single-walled carbon nanotubes (SWCNTs): a DFT study on furan adsorption and detection［J］. Surface Science, 2022, 715: 121939.

[18] [18] ZENG L, ZHANG Z H, ZHOU C Y, et al. Molecular dynamics simulation and DFT calculations on the oil-water mixture separation by single-walled carbon nanotubes［J］. Applied Surface Science, 2020, 523: 146446.

[19] [19] OMURTAG ZGEN P S, DURMAZ H, PARLAK C, et al. Non-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: a DFT supported study［J］. Journal of Molecular Structure, 2020, 1209: 127943.

[20] [20] WANG C H, ZHANG L, JIANG Y, et al. A DFT study on the high-density assembly of doxorubicin drug delivery by single-walled carbon nanotubes［J］. Physica E: Low-Dimensional Systems and Nanostructures, 2021, 134: 114892.

[21] [21] TSUZUKI T, OGATA S, URANAGASE M. Large-scale DFT simulation of quinone molecules encapsulated in single-walled carbon nanotube for novel Li-ion battery cathode［J］. Computational Materials Science, 2020, 171: 109281.

[22] [22] PERAA C S T, NAGURNIAK G R, ORENHA R P, et al. A theoretical indicator of transition-metal nanoclusters applied in the carbon nanotube nucleation process: a DFT study［J］. Dalton Transactions, 2020, 49(2): 492-503.

[23] [23] QIN C L, TIAN Z A, LUO X Y, et al. First-principles study of electronic structure of double-walled and single-walled carbon nanotubes［J］. Ceramics International, 2021, 47(2): 2665-2671.

[24] [24] PARLAK C, ALVER . Single and double silicon decoration of fullerene C60 and single walled carbon nanotubes for adsorption and detection of TNT［J］. Journal of Molecular Structure, 2019, 1198: 126881.

[25] [25] HUANG B, LI Z Y, LIU Z R, et al. Adsorption of gas molecules on graphene nanoribbons and its implication for nanoscale molecule sensor［J］. The Journal of Physical Chemistry C, 2008, 112(35): 13442-13446.

[26] [26] KEMP K C, SEEMA H, SALEH M, et al. Environmental applications using graphene composites: water remediation and gas adsorption［J］. Nanoscale, 2013, 5(8): 3149-3171.

[27] [27] ZHANG M J, WU X J, YANG G, et al. Tritium adsorption and desorption on/from nuclear graphite edge by a first-principles study［J］. Carbon, 2021, 173: 676-686.

[28] [28] ZHAO Y J, CHEN Y H, XU W H, et al. First-principles study on methane adsorption performance of Ti-modified porous graphene［J］. Physica Status Solidi (b), 2021, 258(11): 2100168.

[29] [29] DEJI, KAUR N, CHOUDHARY B C, et al. Carbon-dioxide gas sensor using co-doped graphene nanoribbon: a first principle DFT study［J］. Materials Today: Proceedings, 2021, 45: 5023-5028.