Citation: Chaozheng He, Yue Yu, Chenxu Zhao, Jinrong Huo. Turning the V site in V@2D-BC₃N₂ complex to high curvature state for efficient CO₂ electroreduction to hydrocarbons[J]. Chinese Chemical Letters, ;2023, 34(8): 107897. doi: 10.1016/j.cclet.2022.107897 shu

Turning the V site in V@2D-BC₃N₂ complex to high curvature state for efficient CO₂ electroreduction to hydrocarbons

Chaozheng He ^a ,
Yue Yu ^a ,
Chenxu Zhao ^{a, *,} ,
Jinrong Huo ^b

a.
Institute of Environmental and Energy Catalysis, School of Materials Science and Chemical Engineering, Xi'an Technological University, Xi'an 710021, China
b.
School of Sciences, Xi'an Technological University, Xi'an 710021, China

zhaochenxu@xatu.edu.cn

Received Date: 19 September 2022
Revised Date: 5 October 2022
Accepted Date: 12 October 2022
Available Online: 14 October 2022

Figures(4)

Hydrocarbons are promising products for CO₂ electroreduction (CRR) while is impeded by the low selectivity. Turning the curvature of the active site is an effective strategy to change the adsorption properties and further regulate the product distribution and reactivity. Herein, we have designed a novel V single atom catalyst (SAC) based on rolled two-dimensional (2D) BC₃N₂ substrate with different curvatures. The results have demonstrated that increased curvature can enhance the adsorption strength of CRR intermediates, which follows different mechanisms for systems with low and high curvature. This character eventually leads to the deviation away from the scaling line between E_ad[CO]~E_ad[COOH] based on transition metals for V@2D-BC₃N₂ systems. 3-3 system is screened as the optimal candidate for hydrocarbons production due to the enhanced binding ability of adsorbates, which can increase the reactivity for hydrocarbons production and hinder the production of H₂ and HCOOH simultaneously.
- V doped 2D BC₃N₂,
- Curvature effect,
- CO2 electroreduction,
- Hydrocarbons production,
- d-band center theory,
- Geometric and electronic properties
1. [1]
  B. Yang, L. Li, L. Guo, et al., Chin. Chem. Lett. 31 (2020) 2627–2633. doi: 10.1016/j.cclet.2020.05.031
2. [2]
  S. Gong, G. Zhu, M. Hojamberdiev, et al., Appl. Catal. B: Environ. 297 (2021) 120413. doi: 10.1016/j.apcatb.2021.120413
3. [3]
  L. Wang, G. Huang, Q. Wang, et al., J. Energy Chem. 64 (2022) 85–92. doi: 10.1016/j.jechem.2021.04.053
4. [4]
  M. Aresta, A. Dibenedetto, A. Angelini, et al., Chem. Rev. 114 (2014) 1709–1742. doi: 10.1021/cr4002758
5. [5]
  D.T. Whipple, P.J.A. Kenis, J. Phys. Chem. Lett. 1 (2010) 3451–3458. doi: 10.1021/jz1012627
6. [6]
  K.P. Kuhl, T. Hatsukade, T.F. Jaramillo, J. Am. Chem. Soc. 136 (2014) 14107–14113. doi: 10.1021/ja505791r
7. [7]
  K.P. Kuhl, E.R. Cave, T.F. Jaramillo, et al., Energy Environ. Sci. 5 (2012) 7050–7059. doi: 10.1039/c2ee21234j
8. [8]
  X. Fu, H. Yang, L. Li, et al., Chin. Chem. Lett. 32 (2021) 1089–1094. doi: 10.1016/j.cclet.2020.08.031
9. [9]
  R. Kortlever, J. Shen, M.T.M. Koper, et al., J. Phys. Chem. Lett. 6 (2015) 4073–4082. doi: 10.1021/acs.jpclett.5b01559
10. [10]
  H. Shin, Y. Ha, H. Kim, J. Phys. Chem. Lett. 7 (2016) 4124–4129. doi: 10.1021/acs.jpclett.6b01876
11. [11]
  A.A. Peterson, J.K. Norskov, J. Phys. Chem. Lett. 3 (2012) 251–258. doi: 10.1021/jz201461p
12. [12]
  F. Abild-Pedersen, J. Greeley, J.K. Norskov, et al., Phys. Rev. Lett. 99 (2007) 016105. doi: 10.1103/PhysRevLett.99.016105
13. [13]
  B.T. Qiao, A.Q. Wang, T. Zhang, et al., Nat. Chem. 3 (2011) 634–641. doi: 10.1038/nchem.1095
14. [14]
  Z.W. Huang, X. Gu, X.F. Tang, et al., Angew. Chem. Int. Ed. 51 (2012) 4198–4203. doi: 10.1002/anie.201109065
15. [15]
  C. Kirk, L.D.C. Section, J.K. Norskov, ACS Central Sci. 3 (2017) 1286–1293. doi: 10.1021/acscentsci.7b00442
16. [16]
  S. Backs, Y.S. Jung, ACS Energy Lett. 2 (2017) 969–975. doi: 10.1021/acsenergylett.7b00152
17. [17]
  C.X. Zhao, G.X. Zhang, W. Gao, Q. Jiang, J. Mater. Chem. A 7 (2019) 8210–8217. doi: 10.1039/C9TA00627C
18. [18]
  C. Zhao, M. Xi, J. Huo, C. He, Phys. Chem. Chem. Phys. 23 (2021) 23219–23224. doi: 10.1039/D1CP03943A
19. [19]
  S. Back, J. Lim, N.Y. Kim, Y.H. Kim, Y. Jung, Chem. Sci. 8 (2017) 1090–1096. doi: 10.1039/C6SC03911A
20. [20]
  B. Hammer, J.K. Norskov, Surf. Sci. 343 (1995) 211–220. doi: 10.1016/0039-6028(96)80007-0
21. [21]
  B. Hammer, J.K. Norskov, Nature 376 (1995) 238–240. doi: 10.1038/376238a0
22. [22]
  X. Wang, H. Niu, Y. Guo, et al., Catal. Sci. Technol. 10 (2020) 8465–8472. doi: 10.1039/D0CY01870H
23. [23]
  G.Z. Zhu, Y.W. Li, Q. Sun, et al., ACS Catal 6 (2016) 6294–6301. doi: 10.1021/acscatal.6b02020
24. [24]
  Y. Zhang, L. Fang, Z. Cao, RSC Adv 10 (2020) 43075–43084. doi: 10.1039/D0RA08857A
25. [25]
  Y.C. Wang, Q.C. Wang, Y.P. Lei, et al., Nano Energy 103 (2022) 107815. doi: 10.1016/j.nanoen.2022.107815
26. [26]
  Q.C. Wang, Y.C. Wang, Y.P. Lei, et al., Nat. Commun. 13 (2022) 3689. doi: 10.1038/s41467-022-31383-4
27. [27]
  J. Yu, C. He, L. Yu, et al., Chin. Chem. Lett. 32 (2021) 3149–3154. doi: 10.1016/j.cclet.2021.02.046
28. [28]
  M.D. Segall, P.J.D. Lindan, M.C. Payne, et al., J. Phys. Condens. Matter. 14 (2002) 2717–2744. doi: 10.1088/0953-8984/14/11/301
29. [29]
  A. Tkatchenko, M. Scheffler, Phys. Rev. Lett. 102 (2009) 073005. doi: 10.1103/PhysRevLett.102.073005
30. [30]
  N. Marom, A. Tkatchenko, L. Kronik, et al., J. Chem. Theory Compt. 7 (2011) 3944–3951. doi: 10.1021/ct2005616
31. [31]
  J.K. Norskov, J. Rossmeisl, H. Jonsson, et al., J. Phys. Chem. B 108 (2004) 17886–17892. doi: 10.1021/jp047349j
32. [32]
  J.A. Gauthier, S. Ringer, J.K. Norskov, et al., ACS Catal 9 (2019) 920–931. doi: 10.1021/acscatal.8b02793
33. [33]
  Hongzhiwei Technology, Device Studio, Version 2021A, China, Available online 2021, http://iresearch.net.cn/cloudSoftware (accessed on 2021/08/01).
34. [34]
  C. Li, D. Lu, C. Wu, J. Indust. Engin. Chem. 98 (2021) 161–167. doi: 10.1016/j.jiec.2021.04.006
35. [35]
  Y. Linghu, D. Lu, C. Wu, J. Phys. Condens. Matter. 33 (2021) 165002. doi: 10.1088/1361-648X/abeff9
36. [36]
  Y. Liu, Q. Feng, Y. Lei, et al., Nano Energy 81 (2021) 105641. doi: 10.1016/j.nanoen.2020.105641
37. [37]
  H. Peng, J. Ren, Y. Lei, et al., Nano Energy 88 (2021) 106307. doi: 10.1016/j.nanoen.2021.106307
38. [38]
  F. Rao, G. Zhu, M. Hojamberdiev, et al., Appl. Catal. B: Environ. 281 (2021) 119481. doi: 10.1016/j.apcatb.2020.119481
39. [39]
  F. Rao, G. Zhu, M. Hojamberdiev, et al., ACS Catal 11 (2021) 7735–7749. doi: 10.1021/acscatal.1c01251
40. [40]
  L. Wang, X. Shi, Q. Wang, et al., Chin. Chem. Lett. 32 (2021) 1869–1878. doi: 10.1016/j.cclet.2020.11.065
41. [41]
  S. Zhang, D. Chen, Z. Liu, et al., Appl. Catal. B: Environ. 284 (2021) 119686. doi: 10.1016/j.apcatb.2020.119686
42. [42]
  S. Zhang, B. Zhang, Z. Liu, et al., Nano Energy 79 (2021) 105485. doi: 10.1016/j.nanoen.2020.105485
43. [43]
  S. Zhou, K. Chen, Q. Wang, et al., Appl. Catal. B: Environ. 266 (2020) 118513. doi: 10.1016/j.apcatb.2019.118513
44. [44]
  J. Chen, H. Lei, X. Dong, et al., J. Colloid Interface Sci. 601 (2021) 704–713. doi: 10.1016/j.jcis.2021.05.151
45. [45]
  R. Guo, K. Zhang, M. Jin, et al., J. Mater. Chem. A 9 (2021) 6196–6204. doi: 10.1039/D0TA11054J
46. [46]
  X. He, M. Wu, S. Wang, et al., J. Hazard Mater. 403 (2021) 124048. doi: 10.1016/j.jhazmat.2020.124048
47. [47]
  H. Lei, M. Wu, X. Dong, et al., Chin. Chem. Lett. 32 (2021) 2317–2321. doi: 10.1016/j.cclet.2020.12.019
48. [48]
  H. Lei, M. Wu, Z. Wu, et al., Environ. Sci. Nano 8 (2021) 1398–1407. doi: 10.1039/D0EN01028F
49. [49]
  S.E. Weber, B.K. Rao, P.H. Dederichs, et al., J. Phys. 9 (1997) 10739–10748.
50. [50]
  X.Y. Wu, A.K. Ray, J. Chem. Phy. 110 (1999) 2437–2445. doi: 10.1063/1.477949
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

Turning the V site in V@2D-BC3N2 complex to high curvature state for efficient CO2 electroreduction to hydrocarbons

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通讯作者: 陈斌, bchen63@163.com

Turning the V site in V@2D-BC₃N₂ complex to high curvature state for efficient CO₂ electroreduction to hydrocarbons