Citation: Xinghong Cai, Qiang Yang, Yao Tong, Lanyin Liu, Wutang Zhang, Sam Zhang, Min Wang. AlO₂: A novel two-dimensional material with a high negative Poisson's ratio for the adsorption of volatile organic compounds[J]. Chinese Chemical Letters, ;2025, 36(2): 109586. doi: 10.1016/j.cclet.2024.109586 shu

AlO₂: A novel two-dimensional material with a high negative Poisson's ratio for the adsorption of volatile organic compounds

Xinghong Cai ^a ,
Qiang Yang ^a ,
Yao Tong ^a ,
Lanyin Liu ^a ,
Wutang Zhang ^{b, *,} ,
Sam Zhang ^{c, d, *,} ,
Min Wang ^{a, *,}

a.
Chongqing Key Laboratory for Advanced Materials and Technologies of Clean Energies, School of Materials and Energy, Southwest University, Chongqing 400715, China
b.
BatteroTech Co., Ltd., Shanghai 201417, China
c.
School of Astronautics, Harbin Institute of Technology, Harbin 150001, China
d.
Zhengzhou Research Institute, Harbin Institute of Technology, Zhengzhou 450000, China

wutang_zhang@163.com

samzhang@hit.edu.cn

minwang@swu.edu.cn

Received Date: 31 December 2023
Revised Date: 25 January 2024
Accepted Date: 29 January 2024
Available Online: 5 February 2024

Figures(7)

We propose and investigate a novel stable two-dimensional (2D) AlO₂ with anomalous stoichiometric ratios based on first-principles calculation. 2D AlO₂ has metallic properties. It possesses the rare in-plane and out-of-plane negative Poisson's ratio (NPR) phenomenon, originating from its special sawtooth-like structure. The absolute value of the NPR decreases as the number of layers increases. The adsorption of volatile organic compounds (VOCs) including CH₂O, C₂H₃Cl and C₆H₆ by AlO₂ exhibit small adsorption distance, large adsorption energy, large charge transfer and significant density of states (DOS) changes, indicating the presence of strong interactions. The desorption time of each gas molecule on the AlO₂ surface is also evaluated, and the results further suggest that the desorption of VOCs can be controlled by changing the temperature to achieve the recycling of AlO₂. These interesting properties make 2D AlO₂ a promising material for electronic, mechanical and sensing applications for VOCs.
- AlO₂,
- Negative Poisson's ratio,
- VOCs,
- Two-dimensional material,
- First-principles calculations
1. [1]
  X. Li, L. Zhang, Z. Yang, et al., Sep. Purif. Technol. 235 (2020) 116213. doi: 10.1016/j.seppur.2019.116213
2. [2]
  X. Ma, L. Yang, H. Wu, J. Clean. Prod. 302 (2021) 126925. doi: 10.1016/j.jclepro.2021.126925
3. [3]
  H. Dai, S. Jing, H. Wang, et al., Sci. Total Environ. 577 (2017) 73–83. doi: 10.1016/j.scitotenv.2016.10.071
4. [4]
  B. Liu, W. Zhao, Q. Jiang, et al., Sustain. Mater. Technol. 21 (2019) e00103.
5. [5]
  K. Vikrant, H. Yang, M.W. Chung, et al., Mater. Today Nano 21 (2023) 100283. doi: 10.1016/j.mtnano.2022.100283
6. [6]
  M. Hauptmann, J.H. Lubin, P.A. Stewart, et al., J. Natl. Cancer Inst. 95 (2003) 1615–1623. doi: 10.1093/jnci/djg083
7. [7]
  J. Kielhorn, C. Melber, U. Wahnschaffe, et al., Environ. Health Perspect. 108 (2000) 579–588. doi: 10.1289/ehp.00108579
8. [8]
  V. Bollati, A. Baccarelli, L. Hou, et al., Cancer Res. 67 (2007) 876–880. doi: 10.1158/0008-5472.CAN-06-2995
9. [9]
  Z. Hu, X. Xiao, H. Jin, et al., Nat. Commun. 8 (2017) 15630. doi: 10.1038/ncomms15630
10. [10]
  P. Kumbhakar, C.C. Gowda, P.L. Mahapatra, et al., Mater. Today 45 (2021) 142–168. doi: 10.1016/j.mattod.2020.11.023
11. [11]
  J. Mei, T. Liao, L. Kou, et al., Adv. Mater. 29 (2017) 1700176. doi: 10.1002/adma.201700176
12. [12]
  H. Zhao, Y. Zhu, F. Li, et al., Angew. Chem. Int. Ed. 56 (2017) 8766–8770. doi: 10.1002/anie.201703871
13. [13]
  Z. Huang, A. Zhou, J. Wu, et al., Adv. Mater. 28 (2016) 1703–1708. doi: 10.1002/adma.201504484
14. [14]
  A. Zavabeti, J.Z. Ou, B.J. Carey, et al., Science 358 (2017) 332–335. doi: 10.1126/science.aao4249
15. [15]
  A. Jannat, N. Syed, K. Xu, et al., ACS Nano 15 (2021) 4045–4053. doi: 10.1021/acsnano.0c06791
16. [16]
  N. Mahmood, H. Khan, K. Tran, et al., Mater. Today 44 (2021) 69–77. doi: 10.1016/j.mattod.2020.11.016
17. [17]
  C.H. Huang, H. Chang, T.Y. Yang, et al., ACS Appl. Mater. Interfaces 13 (2021) 52822–52832. doi: 10.1021/acsami.1c18329
18. [18]
  J. Wu, F. Wang, H. Li, et al., Small 18 (2022) 2104244. doi: 10.1002/smll.202104244
19. [19]
  J. Ma, Z. Liu, J. Song, et al., Green Chem. 20 (2018) 5188–5195. doi: 10.1039/C8GC02618A
20. [20]
  W. Shi, C. Yang, M. Qiu, et al., J. Membr. Sci. 642 (2022) 119992. doi: 10.1016/j.memsci.2021.119992
21. [21]
  W. Fu, Z. Li, W. Xu, et al., Mater. Today Nano 11 (2020) 100088. doi: 10.1016/j.mtnano.2020.100088
22. [22]
  H. Wang, Y. Liu, J. Song, et al., Mater. Today Nano 20 (2022) 100244. doi: 10.1016/j.mtnano.2022.100244
23. [23]
  E. Im, H.J. Seo, D.I. Kim, et al., Chem. Eng. J. 416 (2021) 129147. doi: 10.1016/j.cej.2021.129147
24. [24]
  U. Kumari, S.K. Behera, H. Siddiqi, et al., J. Hazard. Mater. 381 (2020) 120917. doi: 10.1016/j.jhazmat.2019.120917
25. [25]
  S. Liu, Z. Zhou, J. Chen, et al., Appl. Surf. Sci. 611 (2023) 155645. doi: 10.1016/j.apsusc.2022.155645
26. [26]
  Y. Bai, G. Wei, Z. Cao, et al., Appl. Surf. Sci. 577 (2022) 151933. doi: 10.1016/j.apsusc.2021.151933
27. [27]
  S.A. Halawy, A.I. Osman, N. Mehta, et al., Chemosphere 295 (2022) 133795. doi: 10.1016/j.chemosphere.2022.133795
28. [28]
  W. Wang, Y. Zheng, X. Li, et al., Adv. Mater. 31 (2019) 1803448. doi: 10.1002/adma.201803448
29. [29]
  Y. Li, Y. Liao, P.V.R. Schleyer, et al., Nanoscale 6 (2014) 10784–10791. doi: 10.1039/C4NR01972E
30. [30]
  R. Rahimi, M. Solimannejad, A. Chaudhari, J. Hazard. Mater. 403 (2021) 123600. doi: 10.1016/j.jhazmat.2020.123600
31. [31]
  M. Wang, X. Cai, Q. Yang, et al., Appl. Surf. Sci. 623 (2023) 157025. doi: 10.1016/j.apsusc.2023.157025
32. [32]
  Y. Yang, B. Peng, X. Lei, et al., Prog. Chem. 34 (2022) 1524–1536.
33. [33]
  X. Xia, Y. Huang, B. Peng, et al., Adv. Mater. 35 (2023) 2303072. doi: 10.1002/adma.202303072
34. [34]
  Y.C. Lu, R. Dieckmann, S.L. Sass, J. Phys. Chem. Solids 55 (1994) 1083–1095. doi: 10.1016/0022-3697(94)90126-0
35. [35]
  L. Andrews, T.R. Burkholder, J.T. Yustein, J. Phys. Chem. 96 (1992) 10182–10189. doi: 10.1021/j100204a018
36. [36]
  J.M. Soler, E. Artacho, J.D. Gale, et al., J. Phys. Condens. Mater. 14 (2002) 2745–2779. doi: 10.1088/0953-8984/14/11/302
37. [37]
  P.J. Stephens, F.J. Devlin, C.F. Chabalowski, et al., J. Phys. Chem. 98 (1994) 11623–11627. doi: 10.1021/j100096a001
38. [38]
  J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865–3868. doi: 10.1103/PhysRevLett.77.3865
39. [39]
  B. Hammer, L.B. Hansen, J.K. Norskov, Phys. Rev. B 59 (1999) 7413–7421. doi: 10.1103/PhysRevB.59.7413
40. [40]
  A. Canal Neto, F.E. Jorge, Chem. Phys. Lett. 582 (2013) 158–162. doi: 10.1016/j.cplett.2013.07.045
41. [41]
  M. Thomas, M. Brehm, R. Fligg, et al., Phys. Chem. Chem. Phys. 15 (2013) 6608–6622. doi: 10.1039/c3cp44302g
42. [42]
  S.Q. Zhou, X.H. Ju, F.Q. Zhao, et al., Appl. Surf. Sci. 258 (2012) 7334–7342. doi: 10.1016/j.apsusc.2012.03.187
43. [43]
  R. Kiruba, S. Vinod, A.W. Zaibudeen, et al., Colloids Surf. A 555 (2018) 63–71. doi: 10.1016/j.colsurfa.2018.06.044
44. [44]
  M. Wang, C.M. Li, Phys. Chem. Chem. Phys. 13 (2011) 1413–1418. doi: 10.1039/C0CP00828A
45. [45]
  Q. Peng, C. Liang, W. Ji, et al., Phys. Chem. Chem. Phys. 15 (2013) 2003–2011. doi: 10.1039/C2CP43360E
46. [46]
  Q. Peng, S. De, Phys. Chem. Chem. Phys. 15 (2013) 19427–19437. doi: 10.1039/c3cp52879k
47. [47]
  Q. Yang, X.H. Cai, Y. Pang, et al., Int. J. Quantum Chem. 120 (2020) e26378. doi: 10.1002/qua.26378
48. [48]
  Q. Peng, C. Liang, W. Ji, et al., Comput. Mater. Sci. 68 (2013) 320–324. doi: 10.1016/j.commatsci.2012.10.019
49. [49]
  J.W. Jiang, H.S. Park, Nat. Commun. 5 (2014) 4727. doi: 10.1038/ncomms5727
50. [50]
  H. Wang, X. Li, J. Sun, et al., 2D Mater. 4 (2017) 045020. doi: 10.1088/2053-1583/aa8abd
51. [51]
  S. Zhang, J. Zhou, Q. Wang, et al., Proc. Natl. Acad. Sci. U. S. A. 112 (2015) 2372–2377. doi: 10.1073/pnas.1416591112
52. [52]
  L. Kou, Y. Ma, C. Tang, et al., Nano Lett. 16 (2016) 7910–7914. doi: 10.1021/acs.nanolett.6b04180
53. [53]
  H. Wang, X. Li, P. Li, et al., Nanoscale 9 (2017) 850–855. doi: 10.1039/C6NR08550D
54. [54]
  T. Jing, D. Liang, M. Deng, et al., J. Mater. Chem. C 8 (2020) 10382–10389. doi: 10.1039/D0TC02415E
55. [55]
  R. Peng, Y. Ma, Z. He, et al., Nano Lett. 19 (2019) 1227–1233. doi: 10.1021/acs.nanolett.8b04761
56. [56]
  L.C. Zhang, G. Qin, W.Z. Fang, et al., Sci. Rep. 6 (2016) 19830. doi: 10.1038/srep19830
57. [57]
  C. Huang, L. Chen, Adv. Mater. 28 (2016) 8079–8096. doi: 10.1002/adma.201601363
58. [58]
  Y. Du, J. Maassen, W. Wu, et al., Nano Lett. 16 (2016) 6701–6708. doi: 10.1021/acs.nanolett.6b03607
59. [59]
  D. Li, X. Chen, C. Shu, et al., Appl. Surf. Sci. 563 (2021) 150233. doi: 10.1016/j.apsusc.2021.150233
60. [60]
  A. Aasi, S.M. Aghaei, B. Panchapakesan, J. Mater. Chem. C 9 (2021) 9242–9250. doi: 10.1039/D1TC01510A
61. [61]
  J. Cao, F. Wu, M. Wen, et al., Appl. Surf. Sci. 539 (2021) 148164. doi: 10.1016/j.apsusc.2020.148164
62. [62]
  L. Gao, P. Feng, Y. Sun, et al., Comput. Theor. Chem. 1209 (2022) 113611. doi: 10.1016/j.comptc.2022.113611
63. [63]
  Q. Zhao, Y. Man, S. Li, et al., Comput. Theor. Chem. 1214 (2022) 113744. doi: 10.1016/j.comptc.2022.113744
64. [64]
  Y. Liu, L. Gao, S. Fu, et al., Appl. Surf. Sci. 611 (2023) 155694. doi: 10.1016/j.apsusc.2022.155694
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AlO2: A novel two-dimensional material with a high negative Poisson's ratio for the adsorption of volatile organic compounds

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通讯作者: 陈斌, bchen63@163.com

AlO₂: A novel two-dimensional material with a high negative Poisson's ratio for the adsorption of volatile organic compounds