Citation: Lubing Qin, Fang Sun, Meiyin Li, Hao Fan, Likai Wang, Qing Tang, Chundong Wang, Zhenghua Tang. Atomically Precise (AgPd)₂₇ Nanoclusters for Nitrate Electroreduction to NH₃: Modulating the Metal Core by a Ligand Induced Strategy[J]. Acta Physico-Chimica Sinica, ;2025, 41(1): 100008. doi: 10.3866/PKU.WHXB202403008 shu

Atomically Precise (AgPd)₂₇ Nanoclusters for Nitrate Electroreduction to NH₃: Modulating the Metal Core by a Ligand Induced Strategy

Lubing Qin ^{1, †} ,
Fang Sun ^{2, †} ,
Meiyin Li ³ ,
Hao Fan ¹ ,
Likai Wang ³ ,
Qing Tang ^2,, ,
Chundong Wang ⁴ ,
Zhenghua Tang ^{1, 5,,}

1.
New Energy Research Institute, School of Environment and Energy, South China University of Technology, Guangzhou 510006, China
2.
School of Chemistry and Chemical Engineering, Chongqing Key Laboratory of Theoretical and Computational Chemistry, Chongqing University, Chongqing 401331, China
3.
School of Chemistry and Chemical Engineering, Shandong University of Technology, Zibo 255049, Shandong Province, China
4.
School of Integrated Circuits, Wuhan National Laboratory for Optoelectronics, Huazhong University of Science and Technology, Wuhan 430074, China
5.
Key Laboratory of Functional Inorganic Material Chemistry (Heilongjiang University), Ministry of Education, Harbin 150001, China

Corresponding author: Qing Tang, qingtang@cqu.edu.cn Zhenghua Tang, zhht@scut.edu.cn

^†

Received Date: 11 March 2024
Revised Date: 25 April 2024
Accepted Date: 25 April 2024

Fund Project: the funding from Guangdong Natural Science Funds 2023A0505050107the Chongqing Science and Technology Commission cstc2020jcyj-msxmX0382

Electrochemical nitrate reduction reaction (eNO₃^–RR) to synthesize NH₃ is a sustainable method to convert environmental contaminants into valuables. Pd based bimetallic nanocatalysts have demonstrated great promise as efficient catalysts, yet modulating the composition and configuration to improve the catalytic performance and achieve comprehensive mechanistic understanding remains challenging. Herein, by employing two ligands with different electron functional groups, we successfully prepared two atomically precise (AgPd)₂₇ bimetallic clusters of Ag₁₈Pd₉(C₈H₄F)₂₄ (Ag₁₈Pd₉) and Ag₂₂Pd₅(C₉H₁₀O₂)₂₆ (Ag₂₂Pd₅). The two clusters possess markedly different metal core composition and configuration, where Ag₁₈Pd₉ has a sandwich metal core structure with 9 Pd atoms located in the middle layer and Ag₂₂Pd₅ has a rod-shaped metal core structure composed of the M₁₃ configuration with 5 Pd atoms located at the center and vertices of the M₁₃ configuration. Unexpectedly, Ag₂₂Pd₅ exhibited remarkably superior eNO₃⁻RR performance than Ag₁₈Pd₉. Specifically, the highest Faradaic efficiency of NH₃ (FE_NH3) and its yield rate can reach 94.42% and 1.41 mmol∙h⁻¹∙mg⁻¹ at −0.6 V vs. RHE for Ag₂₂Pd₅, but the largest FE_NH3 and NH₃ yield rate is only 43.86% and 0.41 mmol∙h⁻¹∙mg⁻¹ at −0.5 V vs. RHE for Ag₁₈Pd₉. The in situ attenuated total reflection surface enhanced infrared absorption spectroscopy (ATR-SEIRAS) test provides the experimental evidence of the reaction intermediates hence revealing the reaction pathway, also shows that Ag₂₂Pd₅ has stronger capability for NO₃⁻ adsorption and NH₃ desorption than that of Ag₁₈Pd₉. Theoretical calculations indicate that the de-ligated clusters can expose the available AgPd bimetallic sites, synergistically serving as effective active sites and the different configurations result in significantly different catalytic activities, where the active sites in Ag₂₂Pd₅ are more favorable for NO₃⁻ adsorption and NH₃ desorption to accelerate the catalytic process.
1. [1]
  Min, B.; Gao, Q.; Yan, Z.; Han, X.; Hosmer, K.; Campbell, A.; Zhu, H. Ind. Eng. Chem. Res. 2021, 60, 14635. doi: 10.1021/acs.iecr.1c03072 doi: 10.1021/acs.iecr.1c03072
2. [2]
  van Langevelde, P. H.; Katsounaros, I.; Koper, M. T. M. Joule 2021, 5, 290. doi: 10.1016/j.joule.2020.12.025 doi: 10.1016/j.joule.2020.12.025
3. [3]
  Wang, Y.; Wang, C.; Li, M.; Yu, Y.; Zhang, B. Chem. Soc. Rev. 2021, 50, 6720. doi: 10.1039/D1CS00116G doi: 10.1039/D1CS00116G
4. [4]
  Lv, C.; Liu, J.; Lee, C.; Zhu, Q.; Xu, J.; Pan, H.; Xue, C.; Yan, Q. ACS Nano 2022, 16, 15512. doi: 10.1021/acsnano.2c07260 doi: 10.1021/acsnano.2c07260
5. [5]
  Teng, M.; Ye, J.; Wan, C.; He, G.; Chen, H. Ind. Eng. Chem. Res. 2022, 61, 14731. doi: 10.1021/acs.iecr.2c02495 doi: 10.1021/acs.iecr.2c02495
6. [6]
  Flores, K.; Cerrón-Calle, G. A.; Valdes, C.; Atrashkevich, A.; Castillo, A.; Morales, H.; Parsons, J. G.; Garcia-Segura, S.; Gardea-Torresdey, J. L. ACS EST Engg. 2022, 2, 746. doi: 10.1021/acsestengg.2c00052 doi: 10.1021/acsestengg.2c00052
7. [7]
  Gu, L.; Luo, H.; Zhang, Y.; Cong, Y.; Kuang, M.; Yang, J. Mater. Chem. Front. 2024, 8, 1015. doi: 10.1039/D3QM01038D doi: 10.1039/D3QM01038D
8. [8]
  Wu, Q.; Zhu, F.; Wallace, G.; Yao, X.; Chen, J. Chem. Soc. Rev. 2024, 53, 557. doi: 10.1039/D3CS00714F doi: 10.1039/D3CS00714F
9. [9]
  Kyriakou, V.; Garagounis, I.; Vourros, A.; Vasileiou, E.; Stoukides, M. Joule 2020, 4, 142. doi: 10.1016/j.joule.2019.10.006 doi: 10.1016/j.joule.2019.10.006
10. [10]
  Liu, S.; Qian, T.; Wang, M.; Ji, H.; Shen, X.; Wang, C.; Yan, C. Nat. Catal. 2021, 4, 322. doi: 10.1038/s41929-021-00599-w doi: 10.1038/s41929-021-00599-w
11. [11]
  Han, M.; Guo, M.; Yun, Y.; Xu, Y.; Sheng, H.; Chen, Y.; Du, Y.; Ni, K.; Zhu, Y.; Zhu, M. Adv. Funct. Mater. 2022, 32, 2202820. doi: 10.1002/adfm.202202820 doi: 10.1002/adfm.202202820
12. [12]
  Chen, G.-F.; Yuan, Y.; Jiang, H.; Ren, S.-Y.; Ding, L.-X.; Ma, L.; Wu, T.; Lu, J.; Wang, H. Nat. Energy 2020, 5, 605. doi: 10.1038/s41560-020-0654-1 doi: 10.1038/s41560-020-0654-1
13. [13]
  He, D.; Ooka, H.; Li, Y.; Kim, Y.; Yamaguchi, A.; Adachi, K.; Hashizume, D.; Yoshida, N.; Toyoda, S.; Kim, S. H.; et al. Nat. Catal. 2022, 5, 798. doi: 10.1038/s41929-022-00833-z doi: 10.1038/s41929-022-00833-z
14. [14]
  Fu, X.; Niemann, V. A.; Zhou, Y.; Li, S.; Zhang, K.; Pedersen, J. B.; Saccoccio, M.; Andersen, S. Z.; Enemark-Rasmussen, K.; Benedek, P.; et al. Nat. Mater. 2023, 23, 101. doi: 10.1038/s41563-023-01702-1 doi: 10.1038/s41563-023-01702-1
15. [15]
  Hao, R.; Tian, L.; Wang, C.; Wang, L.; Liu, Y.; Wang, G.; Li, W.; Ozin, G. A. Chem. Catal. 2022, 2, 622. doi: 10.1016/j.checat.2022.01.022 doi: 10.1016/j.checat.2022.01.022
16. [16]
  Tang, Y.; Qin, L.; Liu, Y.; Qiao, L.; Chi, K.; Tang, Z. Catal. Sci. Technol. 2024, 14, 241. doi: 10.1039/D3CY01441J doi: 10.1039/D3CY01441J
17. [17]
  Kim, Y.; Ko, J.; Shim, M.; Park, J.; Shin, H.-H.; Kim, Z. H.; Jung, Y.; Byon, H. R. Chem. Sci. 2024, 15, 2578. doi: 10.1039/D3SC05793C doi: 10.1039/D3SC05793C
18. [18]
  Jiang, M.; Zhu, M.; Wang, M.; He, Y.; Luo, X.; Wu, C.; Zhang, L.; Jin, Z. ACS Nano 2023, 17, 3209. doi: 10.1021/acsnano.2c11046 doi: 10.1021/acsnano.2c11046
19. [19]
  Hu, Q.; Qi, S.; Huo, Q.; Zhao, Y.; Sun, J.; Chen, X.; Lv, M.; Zhou, W.; Feng, C.; Chai, X.; et al. J. Am. Chem. Soc. 2023, 146, 2967. doi: 10.1021/jacs.3c06904 doi: 10.1021/jacs.3c06904
20. [20]
  Cang, C.; Zheng, H. Chin. J. Struct. Chem. 2023, 42, 100143. doi: 10.1016/j.cjsc.2023.100143 doi: 10.1016/j.cjsc.2023.100143
21. [21]
  Gao, Q.; Pillai, H. S.; Huang, Y.; Liu, S.; Mu, Q.; Han, X.; Yan, Z.; Zhou, H.; He, Q.; Xin, H.; Zhu, H. Nat. Commun. 2022, 13, 2338. doi: 10.1038/s41467-022-29926-w doi: 10.1038/s41467-022-29926-w
22. [22]
  Chen, K.; Ma, Z.; Li, X.; Kang, J.; Ma, D.; Chu, K. Adv. Funct. Mater. 2023, 33, 2209890. doi: 10.1002/adfm.202209890 doi: 10.1002/adfm.202209890
23. [23]
  Xie, M.; Tang, S.; Li, Z.; Wang, M.; Jin, Z.; Li, P.; Zhan, X.; Zhou, H.; Yu, G. J. Am. Chem. Soc. 2023, 145, 13957. doi: 10.1021/jacs.3c03432 doi: 10.1021/jacs.3c03432
24. [24]
  Ren, T. L.; Sheng, Y. W.; Wang, M. Z.; Ren, K. L.; Wang, L. L.; Xu, Y. Chin. J. Struct. Chem. 2022, 41, 2212089. doi: 10.14102/j.cnki.0254-5861.2022-0201 doi: 10.14102/j.cnki.0254-5861.2022-0201
25. [25]
  Kang, X.; Li, Y.; Zhu, M.; Jin, R. Chem. Soc. Rev. 2020, 49, 6443. doi: 10.1039/c9cs00633h doi: 10.1039/c9cs00633h
26. [26]
  Du, Y.; Sheng, H.; Astruc, D.; Zhu, M. Chem. Rev. 2020, 120, 526. doi: 10.1021/acs.chemrev.8b00726 doi: 10.1021/acs.chemrev.8b00726
27. [27]
  Li, Y.; Zhou, M.; Jin, R. Adv. Mater. 2021, 33, 2006591. doi: 10.1002/adma.202006591 doi: 10.1002/adma.202006591
28. [28]
  Ghosh, A.; Mohammed, O. F.; Bakr, O. M. Acc. Chem. Res. 2018, 51, 3094. doi: 10.1021/acs.accounts.8b00412 doi: 10.1021/acs.accounts.8b00412
29. [29]
  Zou, X.; Kang, X.; Zhu, M. Chem. Soc. Rev. 2023, 52, 5892. doi: 10.1039/D2CS00876A doi: 10.1039/D2CS00876A
30. [30]
  Liu, X.; Cai, X.; Zhu, Y. Acc. Chem. Res. 2023, 56, 1528. doi: 10.1021/acs.accounts.3c00118 doi: 10.1021/acs.accounts.3c00118
31. [31]
  Yang, D.; Wang, J.; Wang, Q.; Yuan, Z.; Dai, Y.; Zhou, C.; Wan, X.; Zhang, Q.; Yang, Y. ACS Nano 2022, 16, 15681. doi: 10.1021/acsnano.2c06059 doi: 10.1021/acsnano.2c06059
32. [32]
  Guan, Z.-J.; Li, J.-J.; Hu, F.; Wang, Q.-M. Angew. Chem. Int. Ed. 2022, 61, e2022097. doi: 10.1002/anie.202209725 doi: 10.1002/anie.202209725
33. [33]
  Cai, X.; Li, G.; Hu, W.; Zhu, Y. ACS Catal. 2022, 12, 10638. doi: 10.1021/acscatal.2c02595 doi: 10.1021/acscatal.2c02595
34. [34]
  Zhao, S.; Jin, R.; Jin, R. ACS Energy Lett. 2018, 3, 452. doi: 10.1021/acsenergylett.7b01104 doi: 10.1021/acsenergylett.7b01104
35. [35]
  Yao, Q.; Yuan, X.; Chen, T.; Leong, D. T.; Xie, J. Adv. Mater. 2018, 30, 1802751. doi: 10.1002/adma.201802751 doi: 10.1002/adma.201802751
36. [36]
  Yao, Q.; Chen, T.; Yuan, X.; Xie, J. Acc. Chem. Res. 2018, 51, 1338. doi: 10.1021/acs.accounts.8b00065 doi: 10.1021/acs.accounts.8b00065
37. [37]
  Wu, Z.; Yao, Q.; Liu, Z.; Xu, H.; Guo, P.; Liu, L.; Han, Y.; Zhang, K.; Lu, Z.; Li, X.; et al. Adv. Mater. 2021, 33, 2006459. doi: 10.1002/adma.202006459 doi: 10.1002/adma.202006459
38. [38]
  Qin, L.; Sun, F.; Gong, Z.; Ma, G.; Chen, Y.; Tang, Q.; Qiao, L.; Wang, R.; Liu, Z. Q.; Tang, Z. ACS Nano 2023, 17, 12747. doi: 10.1021/acsnano.3c03692 doi: 10.1021/acsnano.3c03692
39. [39]
  Shan, H.; Shi, J.; Chen, T.; Cao, Y.; Yao, Q.; An, H.; Yang, Z.; Wu, Z.; Jiang, Z.; Xie, J. ACS Nano 2023, 17, 2368. doi: 10.1021/acsnano.2c09238 doi: 10.1021/acsnano.2c09238
40. [40]
  Hu, F.; Li, J. J.; Guan, Z. J.; Yuan, S. F.; Wang, Q. M. Angew. Chem. Int. Ed. 2020, 59, 5312. doi: 10.1002/anie.201915168 doi: 10.1002/anie.201915168
41. [41]
  Li, X.; Takano, S.; Tsukuda, T. J. Phys. Chem. C 2021, 125, 23226. doi: 10.1021/acs.jpcc.1c08197 doi: 10.1021/acs.jpcc.1c08197
42. [42]
  Qian, H.; Jiang, D.-e.; Li, G.; Gayathri, C.; Das, A.; Gil, R. R.; Jin, R. J. Am. Chem. Soc. 2012, 134, 16159. doi: 10.1021/ja307657a doi: 10.1021/ja307657a
43. [43]
  Suyama, M.; Takano, S.; Nakamura, T.; Tsukuda, T. J. Am. Chem. Soc. 2019, 141, 14048. doi: 10.1021/jacs.9b06254 doi: 10.1021/jacs.9b06254
44. [44]
  Takano, S.; Ito, S.; Tsukuda, T. J. Am. Chem. Soc. 2019, 141, 15994. doi: 10.1021/jacs.9b08055 doi: 10.1021/jacs.9b08055
45. [45]
  Liu, X.; Yuan, J.; Chen, J.; Yang, J.; Wu, Z. Part. Part. Syst. Char. 2019, 36, 1900003. doi: 10.1002/ppsc.201900003 doi: 10.1002/ppsc.201900003
46. [46]
  Barik, S. K.; Chiu, T. H.; Liu, Y. C.; Chiang, M. H.; Gam, F.; Chantrenne, I.; Kahlal, S.; Saillard, J. Y.; Liu, C. W. Nanoscale 2019, 11, 14581. doi: 10.1039/c9nr05068j doi: 10.1039/c9nr05068j
47. [47]
  Yan, J.; Su, H.; Yang, H.; Malola, S.; Lin, S.; Hakkinen, H.; Zheng, N. J. Am. Chem. Soc. 2015, 137, 11880. doi: 10.1021/jacs.5b07186 doi: 10.1021/jacs.5b07186
48. [48]
  Liu, X.; Yuan, J.; Yao, C.; Chen, J.; Li, L.; Bao, X.; Yang, J.; Wu, Z. J. Phys. Chem. C 2017, 121, 13848. doi: 10.1021/acs.jpcc.7b01730 doi: 10.1021/acs.jpcc.7b01730
49. [49]
  Zhu, M.; Aikens, C. M.; Hollander, F. J.; Schatz, G. C.; Jin, R. J. Am. Chem. Soc. 2008, 130, 5883. doi: 10.1021/ja801173r doi: 10.1021/ja801173r
50. [50]
  Ito, S.; Koyasu, K.; Takano, S.; Tsukuda, T. J. Phys. Chem. Lett. 2021, 12, 10417. doi: 10.1021/acs.jpclett.1c02906 doi: 10.1021/acs.jpclett.1c02906
51. [51]
  Qin, L.; Sun, F.; Ma, X.; Ma, G.; Tang, Y.; Wang, L.; Tang, Q.; Jin, R.; Tang, Z. Angew. Chem. Int. Ed. 2021, 60, 26136. doi: 10.1002/anie.202110330 doi: 10.1002/anie.202110330
52. [52]
  Wang, Y.; Su, H.; Ren, L.; Malola, S.; Lin, S.; Teo, B. K.; Hakkinen, H.; Zheng, N. Angew. Chem. Int. Ed. 2016, 55, 15152. doi: 10.1002/anie.201609144 doi: 10.1002/anie.201609144
53. [53]
  Ma, X.; Xiong, L.; Qin, L.; Tang, Y.; Ma, G.; Pei, Y.; Tang, Z. Chem. Sci. 2021, 12, 12819. doi: 10.1039/D1SC03679C doi: 10.1039/D1SC03679C
54. [54]
  Zhang, F.; Gao, Y.; Lu, P.; Zhong, Y.; Liu, Y.; Bao, X.; Xu, Z.; Lu, M.; Wu, Y.; Chen, P.; et al. Nano Lett. 2023, 23, 1582. doi: 10.1021/acs.nanolett.3c00068 doi: 10.1021/acs.nanolett.3c00068
55. [55]
  Zhang, M. M.; Dong, X. Y.; Wang, Z. Y.; Luo, X. M.; Huang, J. H.; Zang, S. Q.; Mak, T. C. W. J. Am. Chem. Soc. 2021, 143, 6048. doi: 10.1021/jacs.1c02098 doi: 10.1021/jacs.1c02098
56. [56]
  Cao, M.; Wang, S.; Hu, J. H.; Lu, B. H.; Wang, Q. Y.; Zang, S. Q. Adv. Sci. 2022, 9, e2103721. doi: 10.1002/advs.202103721 doi: 10.1002/advs.202103721
57. [57]
  Qu, M.; Li, H.; Xie, L. H.; Yan, S. T.; Li, J. R.; Wang, J. H.; Wei, C. Y.; Wu, Y. W.; Zhang, X. M. J. Am. Chem. Soc. 2017, 139, 12346. doi: 10.1021/jacs.7b05243 doi: 10.1021/jacs.7b05243
58. [58]
  Zhang, S. S.; Alkan, F.; Su, H. F.; Aikens, C. M.; Tung, C. H.; Sun, D. J. Am. Chem. Soc. 2019, 141, 4460. doi: 10.1021/jacs.9b00703 doi: 10.1021/jacs.9b00703
59. [59]
  Yuan, S. F.; Guan, Z. J.; Wang, Q. M. J. Am. Chem. Soc. 2022, 144, 11405. doi: 10.1021/jacs.2c04156 doi: 10.1021/jacs.2c04156
60. [60]
  Zeng, J. L.; Guan, Z. J.; Du, Y.; Nan, Z. A.; Lin, Y. M.; Wang, Q. M. J. Am. Chem. Soc. 2016, 138, 7848. doi: 10.1021/jacs.6b04471 doi: 10.1021/jacs.6b04471
61. [61]
  Yue, X.; Zhao, W. X.; Wang, S. Y.; Zou, Y. Q. Chin. J. Struct. Chem. 2022, 41, 2205063. doi: 10.14102/j.cnki.0254-5861.2022-0074 doi: 10.14102/j.cnki.0254-5861.2022-0074
62. [62]
  Miyajima, S.; Hossain, S.; Ikeda, A.; Kosaka, T.; Kawawaki, T.; Niihori, Y.; Iwasa, T.; Taketsugu, T.; Negishi, Y. Commun. Chem. 2023, 6, 57. doi: 10.1038/s42004-023-00854-0 doi: 10.1038/s42004-023-00854-0
63. [63]
  Liu, H.; Lang, X.; Zhu, C.; Timoshenko, J.; Ruscher, M.; Bai, L.; Guijarro, N.; Yin, H.; Peng, Y.; Li, J.; et al. Angew. Chem. Int. Ed. 2022, 61, e202202556. doi: 10.1002/anie.202202556 doi: 10.1002/anie.202202556
64. [64]
  Jiang, M.; Su, J.; Song, X.; Zhang, P.; Zhu, M.; Qin, L.; Tie, Z.; Zuo, J. L.; Jin, Z. Nano Lett. 2022, 22, 2529. doi: 10.1021/acs.nanolett.2c00446 doi: 10.1021/acs.nanolett.2c00446
65. [65]
  Zhang, N.; Zhang, G.; Shen, P.; Zhang, H.; Ma, D.; Chu, K. Adv. Funct. Mater. 2023, 33, 2211537. doi: 10.1002/adfm.202211537 doi: 10.1002/adfm.202211537
66. [66]
  Yao, C.; Guo, N.; Xi, S.; Xu, C. Q.; Liu, W.; Zhao, X.; Li, J.; Fang, H.; Su, J.; Chen, Z.; et al. Nat. Commun. 2020, 11, 4389. doi: 10.1038/s41467-020-18080-w doi: 10.1038/s41467-020-18080-w
67. [67]
  Luo, Y.; Chen, G.-F.; Ding, L.; Chen, X.; Ding, L.-X.; Wang, H. Joule 2019, 3, 279. doi: 10.1016/j.joule.2018.09.011 doi: 10.1016/j.joule.2018.09.011
68. [68]
  Wang, Y. M.; Cai, J.; Wang, Q. Y.; Li, Y.; Han, Z.; Li, S.; Gong, C. H.; Wang, S.; Zang, S. Q.; Mak, T. C. W. Angew. Chem. Int. Ed. 2022, 61, e202114538. doi: 10.1002/anie.202114538 doi: 10.1002/anie.202114538
69. [69]
  Ma, X.-Y.; Zhang, W.-Y.; Ye, K.; Jiang, K.; Cai, W.-B. Anal. Chem. 2022, 94, 11337. doi: 10.1021/acs.analchem.2c02092 doi: 10.1021/acs.analchem.2c02092
70. [70]
  Jiang, K.; Ma, X.-Y.; Back, S.; Zhao, J.; Jiang, F.; Qin, X.; Zhang, J.; Cai, W.-B. CCS Chem. 2021, 3, 241. doi: 10.31635/ccschem.020.202000667 doi: 10.31635/ccschem.020.202000667
71. [71]
  Wang, Y.; Xu, Y.; Cheng, C.; Zhang, B.; Zhang, B.; Yu, Y. Angew. Chem. Int. Ed. 2023, 63, e202315109. doi: 10.1002/anie.202315109 doi: 10.1002/anie.202315109
72. [72]
  Huang, L.; Cheng, L.; Ma, T.; Zhang, J.-J.; Wu, H.; Su, J.; Song, Y.; Zhu, H.; Liu, Q.; Zhu, M.; et al. Adv. Mater. 2023, 35, 2211856. doi: 10.1002/adma.202211856 doi: 10.1002/adma.202211856
73. [73]
  Kuang, S.; Xiao, T.; Chi, H.; Liu, J.; Mu, C.; Liu, H.; Wang, S.; Yu, Y.; Meyer, T. J.; Zhang, S.; Ma, X. Angew. Chem. Int. Ed. 2024, 63, e202316772. doi: 10.1002/anie.202316772 doi: 10.1002/anie.202316772
74. [74]
  Wu, J.; Xu, L.; Kong, Z.; Gu, K.; Lu, Y.; Wu, X.; Zou, Y.; Wang, S. Angew. Chem. Int. Ed. 2023, 62, e202311196. doi: 10.1002/anie.202311196 doi: 10.1002/anie.202311196
75. [75]
  Guo, C.; Zhou, W.; Lan, X.; Wang, Y.; Li, T.; Han, S.; Yu, Y.; Zhang, B. J. Am. Chem. Soc. 2022, 144, 16006. doi: 10.1021/jacs.2c05660 doi: 10.1021/jacs.2c05660
76. [76]
  Li, Y.; Zheng, S.; Liu, H.; Xiong, Q.; Yi, H.; Yang, H.; Mei, Z.; Zhao, Q.; Yin, Z.-W.; Huang, M.; et al. Nat. Commun. 2024, 15, 176. doi: 10.1038/s41467-023-44131-z doi: 10.1038/s41467-023-44131-z
77. [77]
  Liao, W.; Wang, J.; Ni, G.; Liu, K.; Liu, C.; Chen, S.; Wang, Q.; Chen, Y.; Luo, T.; Wang, X.; et al. Nat. Commun. 2024, 15, 1264. doi: 10.1038/s41467-024-45534-2 doi: 10.1038/s41467-024-45534-2
78. [78]
  Ma, X.; Sun, F.; Qin, L.; Liu, Y.; Kang, X.; Wang, L.; Jiang, D.-E.; Tang, Q.; Tang, Z. Chem. Sci. 2022, 13, 10149. doi: 10.1039/D2SC02886G doi: 10.1039/D2SC02886G
79. [79]
  Ma, G.; Sun, F.; Qiao, L.; Shen, Q.; Wang, L.; Tang, Q.; Tang, Z. Nano Res. 2023, 16, 10867. doi: 10.1007/s12274-023-5885-6 doi: 10.1007/s12274-023-5885-6
80. [80]
  Bootharaju, M. S.; Lee, C. W.; Deng, G.; Kim, H.; Lee, K.; Lee, S.; Chang, H.; Lee, S.; Sung, Y.-E.; Yoo, J. S.; et al. Adv. Mater. 2023, 35, 2207765. doi: 10.1002/adma.202207765 doi: 10.1002/adma.202207765
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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

Atomically Precise (AgPd)27 Nanoclusters for Nitrate Electroreduction to NH3: Modulating the Metal Core by a Ligand Induced Strategy

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通讯作者: 陈斌, bchen63@163.com

Atomically Precise (AgPd)₂₇ Nanoclusters for Nitrate Electroreduction to NH₃: Modulating the Metal Core by a Ligand Induced Strategy