Citation: Lubing Qin, Fang Sun, Meiyin Li, Hao Fan, Likai Wang, Qing Tang, Chundong Wang, Zhenghua Tang. 原子精确的(AgPd)₂₇团簇用于硝酸盐电还原制氨：一种配体诱导策略来调控金属核[J]. Acta Physico-Chimica Sinica, ;2025, 41(1): 240300. doi: 10.3866/PKU.WHXB202403008 shu

原子精确的(AgPd)₂₇团簇用于硝酸盐电还原制氨：一种配体诱导策略来调控金属核

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, Zhenghua Tang,
Received Date: 11 March 2024
Revised Date: 25 April 2024
Accepted Date: 25 April 2024

Fund Project: The study is supported by the Open Funds of Key Laboratory of Functional Inorganic Material Chemistry (Heilongjiang University), Ministry of Education, China. Z.T. acknowledges the funding from Guangdong Natural Science Funds (2023A0505050107). Q.T. acknowledges the support by the Chongqing Science and Technology Commission (cstc2020jcyj-msxmX0382).

电化学硝酸根还原反应(eNO₃^-RR)合成氨是一种可持续的将环境污染物转化为高附加值产品的方法。钯基双金属纳米催化剂作为高效催化剂已显示出巨大的前景，但调控其组成和构型以提高催化性能并实现深入的机理理解仍然很有挑战。通过使用不同供/吸电子官能团的两个配体，我们成功地制备了两个原子精确的(AgPd)₂₇双金属团簇，即Ag₁₈Pd₉(C₈H₄F)₂₄(简称Ag₁₈Pd₉)和Ag₂₂Pd₅(C₉H₁₀O₂)₂₆ (简称Ag₂₂Pd₅)。两个团簇的金属核具有明显不同组成和构型，其中Ag₁₈Pd₉为中间层是9个Pd原子的“三明治”型金属核结构，Ag₂₂Pd₅为M₁₃构型组成的棒状金属核结构，而5个钯原子位于M₁₃构型的顶点和中心位置。出乎意料的是，Ag₂₂Pd₅表现出明显优于Ag₁₈Pd₉的eNO^-₃RR性能。具体表现来说，Ag₂₂Pd₅在-0.6 V时NH₃的法拉第效率和产生速率达到最高，分别为94.42%和1.41 mmol·h^-1·mg^-1，但Ag₁₈Pd₉的NH₃的最高法拉第效率和产生速率只有在-0.5 V时的43.86%和0.41 mmol·h^-1·mg^-1。原位衰减全反射表面增强红外光谱(ATR-SEIRAS)测试提供了反应中间体的实验证据，从而揭示了反应途径，也表明Ag₂₂Pd₅比Ag₁₈Pd₉具有更强的NO₃^-吸附和NH₃脱附能力。理论计算表明，配体脱落的团簇可以暴露AgPd双金属位点，Ag-Pd位点为协同催化活性位点，不同构型的AgPd活性位点有显著差异，其中Ag₂₂Pd₅中的活性位点更有利于NO^-₃吸附和NH₃脱附，从而加速催化过程。
1. [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
2. [2]
  (2) van Langevelde, P. H.; Katsounaros, I.; Koper, M. T. M. Joule 2021, 5, 290. doi: 10.1016/j.joule.2020.12.025
3. [3]
  (3) Wang, Y.; Wang, C.; Li, M.; Yu, Y.; Zhang, B. Chem. Soc. Rev. 2021, 50, 6720. doi: 10.1039/D1CS00116G
4. [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
5. [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
6. [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
7. [7]
  (7) Gu, L.; Luo, H.; Zhang, Y.; Cong, Y.; Kuang, M.; Yang, J. Mater. Chem. Front. 2024, 8, 1015. doi: 10.1039/D3QM01038D
8. [8]
  (8) Wu, Q.; Zhu, F.; Wallace, G.; Yao, X.; Chen, J. Chem. Soc. Rev. 2024, 53, 557. doi: 10.1039/D3CS00714F
9. [9]
  (9) Kyriakou, V.; Garagounis, I.; Vourros, A.; Vasileiou, E.; Stoukides, M. Joule 2020, 4, 142. doi:10.1016/j.joule.2019.10.006
10. [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
11. [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
12. [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
13. [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
14. [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
15. [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
16. [16]
  (16) Tang, Y.; Qin, L.; Liu, Y.; Qiao, L.; Chi, K.; Tang, Z. Catal. Sci. Technol. 2024, 14, 241. doi: 10.1039/D3CY01441J
17. [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
18. [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
19. [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
20. [20]
  (20) Cang, C.; Zheng, H. Chin. J. Struct. Chem. 2023, 42, 100143. doi: 10.1016/j.cjsc.2023.100143
21. [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
22. [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
23. [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
24. [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
25. [25]
  (25) Kang, X.; Li, Y.; Zhu, M.; Jin, R. Chem. Soc. Rev. 2020, 49, 6443. doi: 10.1039/c9cs00633h
26. [26]
  (26) Du, Y.; Sheng, H.; Astruc, D.; Zhu, M. Chem. Rev. 2020, 120, 526. doi: 10.1021/acs.chemrev.8b00726
27. [27]
  (27) Li, Y.; Zhou, M.; Jin, R. Adv. Mater. 2021, 33, 2006591. doi: 10.1002/adma.202006591
28. [28]
  (28) Ghosh, A.; Mohammed, O. F.; Bakr, O. M. Acc. Chem. Res. 2018, 51, 3094. doi: 10.1021/acs.accounts.8b00412
29. [29]
  (29) Zou, X.; Kang, X.; Zhu, M. Chem. Soc. Rev. 2023, 52, 5892. doi: 10.1039/D2CS00876A
30. [30]
  (30) Liu, X.; Cai, X.; Zhu, Y. Acc. Chem. Res. 2023, 56, 1528. doi: 10.1021/acs.accounts.3c00118
31. [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
32. [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
33. [33]
  (33) Cai, X.; Li, G.; Hu, W.; Zhu, Y. ACS Catal. 2022, 12, 10638. doi: 10.1021/acscatal.2c02595
34. [34]
  (34) Zhao, S.; Jin, R.; Jin, R. ACS Energy Lett. 2018, 3, 452. doi: 10.1021/acsenergylett.7b01104
35. [35]
  (35) Yao, Q.; Yuan, X.; Chen, T.; Leong, D. T.; Xie, J. Adv. Mater. 2018, 30, 1802751. doi: 10.1002/adma.201802751
36. [36]
  (36) Yao, Q.; Chen, T.; Yuan, X.; Xie, J. Acc. Chem. Res. 2018, 51, 1338. doi: 10.1021/acs.accounts.8b00065
37. [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
38. [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
39. [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
40. [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
41. [41]
  (41) Li, X.; Takano, S.; Tsukuda, T. J. Phys. Chem. C 2021, 125, 23226. doi: 10.1021/acs.jpcc.1c08197
42. [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
43. [43]
  (43) Suyama, M.; Takano, S.; Nakamura, T.; Tsukuda, T. J. Am. Chem. Soc. 2019, 141, 14048. doi: 10.1021/jacs.9b06254
44. [44]
  (44) Takano, S.; Ito, S.; Tsukuda, T. J. Am. Chem. Soc. 2019, 141, 15994. doi: 10.1021/jacs.9b08055
45. [45]
  (45) Liu, X.; Yuan, J.; Chen, J.; Yang, J.; Wu, Z. Part. Part. Syst. Char. 2019, 36, 1900003. doi: 10.1002/ppsc.201900003
46. [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
47. [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
48. [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
49. [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
50. [50]
  (50) Ito, S.; Koyasu, K.; Takano, S.; Tsukuda, T. J. Phys. Chem. Lett. 2021, 12, 10417. doi: 10.1021/acs.jpclett.1c02906
51. [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
52. [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
53. [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
54. [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
55. [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
56. [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
57. [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
58. [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
59. [59]
  (59) Yuan, S. F.; Guan, Z. J.; Wang, Q. M. J. Am. Chem. Soc. 2022, 144, 11405. doi: 10.1021/jacs.2c04156
60. [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
61. [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
62. [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
63. [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
64. [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
65. [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
66. [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
67. [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
68. [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
69. [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
70. [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
71. [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
72. [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
73. [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
74. [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
75. [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
76. [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
77. [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
78. [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
79. [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
80. [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
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9. [9]
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10. [10]
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11. [11]
  Hui Li , Jia Nie , Zhongyuan Lü , Hujun Qian , Youliang Zhu , Fuquan Bai , Zexing Qu , Ronglin Zhong . Developing a Lecture Mode for Theoretical and Computational Chemistry Curriculum under the “Modernization of Chinese Education” Initiative. University Chemistry, 2025, 40(3): 1-9. doi: 10.3866/PKU.DXHX202402007
12. [12]
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14. [14]
  Wei Zhong , Dan Zheng , Yuanxin Ou , Aiyun Meng , Yaorong Su . K原子掺杂高度面间结晶的g-C₃N₄光催化剂及其高效H₂O₂光合成. Acta Physico-Chimica Sinica, 2024, 40(11): 2406005-. doi: 10.3866/PKU.WHXB202406005
15. [15]
  Jiying Liu , Zehua Li , Wenjing Zhang , Donghui Wei . Molecular Orbital and Nucleus-Independent Chemical Shift Calculations for C₆H₆ and B₁₂H₁₂^2-: A Computational Chemistry Experiment. University Chemistry, 2025, 40(3): 186-192. doi: 10.12461/PKU.DXHX202406085
16. [16]
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17. [17]
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18. [18]
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19. [19]
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20. [20]
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沈阳化工大学材料科学与工程学院沈阳 110142

原子精确的(AgPd)27团簇用于硝酸盐电还原制氨：一种配体诱导策略来调控金属核

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通讯作者: 陈斌, bchen63@163.com

原子精确的(AgPd)₂₇团簇用于硝酸盐电还原制氨：一种配体诱导策略来调控金属核