Citation: Chengcheng Yuan, Wei Xia, Jun Wang, Xiaofeng Zhu, Yong Zhang, Bicheng Zhu, Jiaguo Yu. A dual-functional single-atom modified SnS₂/CdS S-scheme photocatalyst for synergistic hydrogen production and lactic acid oxidation: A DFT study[J]. Acta Physico-Chimica Sinica, ;2026, 42(6): 100244. doi: 10.1016/j.actphy.2026.100244 shu

A dual-functional single-atom modified SnS₂/CdS S-scheme photocatalyst for synergistic hydrogen production and lactic acid oxidation: A DFT study

Chengcheng Yuan ¹ ,
Wei Xia ^1,, ,
Jun Wang ² ,
Xiaofeng Zhu ² ,
Yong Zhang ³ ,
Bicheng Zhu ^{1, 2,,} ,
Jiaguo Yu ^1,,

1.
Laboratory of Solar Fuel, Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan 430078, Hubei Province, China
2.
State Key Laboratory of Environment-Friendly Energy Materials, School of Materials and Chemistry, Southwest University of Science and Technology, Mianyang 621010, Sichuan Province, China
3.
School of Advanced Materials and Green Chemical Engineering, Hubei Engineering Research Center for Chemical Additives of Polymer Materials, Hubei Polytechnic University, Huangshi 435003, Hubei Province, China

Corresponding author: Wei Xia, xiawei@cug.edu.cn Bicheng Zhu, zhubicheng@cug.edu.cn Jiaguo Yu, yujiaguo93@cug.edu.cn
Received Date: 2 January 2026
Revised Date: 10 January 2026
Accepted Date: 15 January 2026

Designing efficient S-scheme photocatalysts for simultaneous H₂ evolution and organic oxidation is highly desirable for sustainable energy conversion. Herein, a novel SnS₂/CdS S-scheme heterojunction loaded with transition metal single atoms (TM = Pt, Pd, Au) was constructed. Systematic density functional theory (DFT) calculations are performed to investigate the geometric structure, electronic properties, and the mechanisms of surface H adsorption and lactic acid (LA) oxidation reactions. The results reveal that in the heterojunction, electrons transfer from CdS to SnS₂ through interfacial Cd–S bonds, forming a stable composite structure, while the TM single atoms are stabilized by forming TM–S bonds with surface S atoms. The incorporation of TM atoms enhances the interfacial electron transfer. Notably, the TM atoms anchored on the CdS surface effectively modulate the p-band center of neighboring S atoms, thereby weakening the S–H bond and optimizing the H adsorption-desorption equilibrium. Concurrently, those on the SnS₂ surface enhance the adsorption energy of LA and reduce the energy barrier of the rate-determining step in the dehydrogenation oxidation process. This work demonstrates that the strategic placement of single atoms on different components of an S-scheme heterojunction can synergistically enhance both the reduction and oxidation half-reactions, offering profound insights for the rational design of high-performance single-atom-loaded S-scheme photocatalytic systems for cooperative H₂ production and value-added chemical synthesis.
- S-scheme heterojunctions,
- Metal single atoms,
- Electron transfer,
- Hydrogen adsorption,
- Lactic acid oxidation
1. [1]
  J. Zhu, X. Li, Chin. J. Catal. 72 (2025) 1, https://doi.org/10.1016/S1872-2067(24)60684-5. doi: 10.1016/S1872-2067(24)60684-5
2. [2]
  H. Li, J. Zhang, X. Zhou, Z. Wu, L. Zhang, J. Mater. Sci. Technol. 231 (2025) 1, https://doi.org/10.1016/j.jmst.2024.12.076. doi: 10.1016/j.jmst.2024.12.076
3. [3]
  L. Zhang, J. Zhang, J. Yu, Chem 12 (2026) 102719, https://doi.org/10.1016/j.chempr.2025.102719. doi: 10.1016/j.chempr.2025.102719
4. [4]
  X. Wu, M. Sayed, G. Wang, W. Yu, B. Zhu, Adv. Mater. 38 (2026) e11322, https://doi.org/10.1002/adma.202511322. doi: 10.1002/adma.202511322
5. [5]
  M. Li, X. Li, J.B. Ghasemi, Chin. J. Catal. 73 (2025) 12, https://doi.org/10.1016/S1872-2067(25)64709-7. doi: 10.1016/S1872-2067(25)64709-7
6. [6]
  Z. Jiang, J. Zhang, B. Cheng, Y. Zhang, J. Yu, L. Zhang, Small 21 (2025) 2409079, https://doi.org/10.1002/smll.202409079. doi: 10.1002/smll.202409079
7. [7]
  B. Zhu, C. Jiang, J. Xu, Z. Zhang, J. Fu, J. Yu, Mater. Today 82 (2025) 251, https://doi.org/10.1016/j.mattod.2024.11.012. doi: 10.1016/j.mattod.2024.11.012
8. [8]
  T. Li, N. Tsubaki, Z. Jin, J. Mater. Sci. Technol. 169 (2024) 82, https://doi.org/10.1016/j.jmst.2023.04.049. doi: 10.1016/j.jmst.2023.04.049
9. [9]
  M. Sayed, K. Qi, X. Wu, L. Zhang, H. García, J. Yu, Chem. Soc. Rev. 54 (2025) 4874, https://doi.org/10.1039/D4CS01091D. doi: 10.1039/D4CS01091D
10. [10]
  M. Wei, C. Cheng, B. He, B. Cheng, K. Qi, C. Bie, Acta Phys. Chim. Sin. 41 (2025) 100158, https://doi.org/10.1016/j.actphy.2025.100158. doi: 10.1016/j.actphy.2025.100158
11. [11]
  Y. Ren, Y. Li, G. Pan, N. Wang, Y. Xing, Z. Zhang, J. Mater. Sci. Technol. 171 (2024) 162, https://doi.org/10.1016/j.jmst.2023.06.052. doi: 10.1016/j.jmst.2023.06.052
12. [12]
  Y. Zhang, S. Wang, Chin. J. Catal. 71 (2025) 1, https://doi.org/10.1016/S1872-2067(24)60253-6. doi: 10.1016/S1872-2067(24)60253-6
13. [13]
  J. Cai, C. Cheng, B. Liu, J. Zhang, C. Jiang, B. Cheng, Acta Phys. Chim. Sin. 41 (2025) 100084, https://doi.org/10.1016/j.actphy.2025.100084. doi: 10.1016/j.actphy.2025.100084
14. [14]
  B. Zhu, J. Xu, Chin. J. Struct. Chem. 43 (2024) 100327, https://doi.org/10.1016/j.cjsc.2024.100327. doi: 10.1016/j.cjsc.2024.100327
15. [15]
  S. Cao, B. Zhong, C. Bie, B. Cheng, F. Xu, Acta Phys. Chim. Sin. 40 (2024) 2307016, https://doi.org/10.3866/PKU.WHXB202307016. doi: 10.3866/PKU.WHXB202307016
16. [16]
  W. Yang, J. Yang, H. Yang, L. Sun, H. Li, D. Li, J. Dou, X. Li, G. Cao, Rare Met. 44 (2025) 2474, https://doi.org/10.1007/s12598-024-03060-6. doi: 10.1007/s12598-024-03060-6
17. [17]
  H. Ran, X. Liu, J. Fan, Y. Yang, L. Zhang, Q. Guo, B. Zhu, Q. Xu, J. Materiomics 11 (2025) 100918, https://doi.org/10.1016/j.jmat.2024.07.004. doi: 10.1016/j.jmat.2024.07.004
18. [18]
  M. Wei, X. Zhou, C. Cheng, J. Zhang, C. Jiang, B. Cheng, J. Mater. Sci. Technol. 232 (2025) 302, https://doi.org/10.1016/j.jmst.2025.01.036. doi: 10.1016/j.jmst.2025.01.036
19. [19]
  Z. Yu, C. Guan, X. Yue, Q. Xiang, Chin. J. Catal. 50 (2023) 361, https://doi.org/10.1016/S1872-2067(23)64448-1. doi: 10.1016/S1872-2067(23)64448-1
20. [20]
  C. Chen, J. Zhang, H. Chu, L. Sun, G. Dawson, K. Dai, Chin. J. Catal. 63 (2024) 81, https://doi.org/10.1016/S1872-2067(24)60072-0. doi: 10.1016/S1872-2067(24)60072-0
21. [21]
  H. Ran, X. Liu, L. Ye, J. Fan, B. Zhu, Q. Xu, Y. Wei, J. Mater. Sci. Technol. 234 (2025) 24, https://doi.org/10.1016/j.jmst.2024.12.089. doi: 10.1016/j.jmst.2024.12.089
22. [22]
  Z. Yang, S. Yang, H. Yang, J. Zhang, J. Yu, Small 21 (2025) e08960, https://doi.org/10.1002/smll.202508960. doi: 10.1002/smll.202508960
23. [23]
  S. Wang, B. Cheng, K. Qi, Chin. J. Catal. 78 (2025) 1, https://doi.org/10.1016/S1872-2067(25)64810-8. doi: 10.1016/S1872-2067(25)64810-8
24. [24]
  B. Zhu, J. Liu, J. Sun, F. Xie, H. Tan, B. Cheng, J. Zhang, J. Mater. Sci. Technol. 162 (2023) 90, https://doi.org/10.1016/j.jmst.2023.03.054. doi: 10.1016/j.jmst.2023.03.054
25. [25]
  F. Xu, F. Zhao, X. Deng, J. Zhang, J. Zhang, C. Ai, J. Yu, H. García, Nature Commun. 16 (2025) 6882, https://doi.org/10.1038/s41467-025-60961-5. doi: 10.1038/s41467-025-60961-5
26. [26]
  X. Liu, Z. Jiang, Chin. J. Catal. 70 (2025) 5, https://doi.org/10.1016/S1872-2067(24)60223-8. doi: 10.1016/S1872-2067(24)60223-8
27. [27]
  R. He, D. Xu, M. Sayed, J. Materiomics 11 (2025) 100989, https://doi.org/10.1016/j.jmat.2024.100989. doi: 10.1016/j.jmat.2024.100989
28. [28]
  Y. Yang, X. Zhou, M. Gu, B. Cheng, Z. Wu, J. Zhang, Acta Phys. Chim. Sin. 41 (2025) 100064, https://doi.org/10.1016/j.actphy.2025.100064. doi: 10.1016/j.actphy.2025.100064
29. [29]
  D. Xu, R. He, Z. Jiang, J. Mater. Sci. Technol. 236 (2025) 280, https://doi.org/10.1016/j.jmst.2025.02.040. doi: 10.1016/j.jmst.2025.02.040
30. [30]
  Y. Zhang, Y. Wang, Y. Liu, S. Zhang, Y. Zhao, J. Zhang, J. Materiomics 11 (2025) 100985, https://doi.org/10.1016/j.jmat.2024.100985. doi: 10.1016/j.jmat.2024.100985
31. [31]
  C. Chen, K. He, J. Li, Y. Tu, Y. Liang, Z. Huang, Q. Zhang, Rare Met. 44 (2025) 4507, https://doi.org/10.1007/s12598-025-03249-3. doi: 10.1007/s12598-025-03249-3
32. [32]
  H. Haroon, Q. Xiang, Small 20 (2024) 2401389, https://doi.org/10.1002/smll.202401389. doi: 10.1002/smll.202401389
33. [33]
  F. Xie, C. Bie, J. Sun, Z. Zhang, B. Zhu, J. Mater. Sci. Technol. 170 (2024) 87, https://doi.org/10.1016/j.jmst.2023.06.028. doi: 10.1016/j.jmst.2023.06.028
34. [34]
  F. Xie, C. Yuan, H. Tan, A.Z. Moshfegh, B. Zhu, J. Yu, Acta Phys. Chim. Sin. 40 (2024) 2407013, https://doi.org/10.3866/PKU.WHXB202407013. doi: 10.3866/PKU.WHXB202407013
35. [35]
  J. Qin, W. Zhao, J. Song, N. Luo, Z. Ma, B. Wang, J. Ma, R. Zhang, Y. Long, Chin. J. Catal. 64 (2024) 98, https://doi.org/10.1016/S1872-2067(24)60104-X. doi: 10.1016/S1872-2067(24)60104-X
36. [36]
  C. Luo, Q. Long, B. Cheng, B. Zhu, L. Wang, Acta Phys. Chim. Sin. 39 (2023) 2212026, https://doi.org/10.3866/PKU.WHXB202212026. doi: 10.3866/PKU.WHXB202212026
37. [37]
  S. Yang, K. Wang, Q. Chen, Y. Wu, J. Mater. Sci. Technol. 175 (2024) 104, https://doi.org/10.1016/j.jmst.2023.07.044. doi: 10.1016/j.jmst.2023.07.044
38. [38]
  R.K. Chava, J.Y. Do, M. Kang, J. Mater. Chem. A 7 (2019) 13614, https://doi.org/10.1039/C9TA03059J. doi: 10.1039/C9TA03059J
39. [39]
  X. Chen, Z. Han, Z. Lu, T. Qu, C. Liang, Y. Wang, B. Zhang, X. Han, P. Xu, Sustain. Energy Fuels 7 (2023) 1311, https://doi.org/10.1039/D2SE01717B. doi: 10.1039/D2SE01717B
40. [40]
  P.A.K. Reddy, H. Han, K.C. Kim, S. Bae, ACS Sustain. Chem. Eng. 12 (2024) 4979, https://doi.org/10.1021/acssuschemeng.3c08378. doi: 10.1021/acssuschemeng.3c08378
41. [41]
  P. Sharma, M. Sharma, M. Dearg, M. Wilding, T.J.A. Slater, C.R.A. Catlow, Angew. Chem. Int. Ed. 62 (2023) e202301239, https://doi.org/10.1002/anie.202301239. doi: 10.1002/anie.202301239
42. [42]
  W. Li, X. Chu, F. Wang, Y. Dang, X. Liu, T. Ma, J. Li, C. Wang, Appl. Catal. B 304 (2022) 121000, https://doi.org/10.1016/j.apcatb.2021.121000. doi: 10.1016/j.apcatb.2021.121000
43. [43]
  J. Lei, N. Zhou, S. Sang, S. Meng, J. Low, Y. Li, Chin. J. Catal. 65 (2024) 163, https://doi.org/10.1016/S1872-2067(24)60109-9. doi: 10.1016/S1872-2067(24)60109-9
44. [44]
  S. Zhang, D. Liang, B. Bai, X. Zhang, Y. Li, J. Liu, X. Zhang, J. Zhang, J. Phys. Chem. Lett. 14 (2023) 4357, https://doi.org/10.1021/acs.jpclett.3c00830. doi: 10.1021/acs.jpclett.3c00830
45. [45]
  H. Hu, Y. He, H. Yu, D. Li, M. Sun, Y. Feng, C. Zhang, H. Chen, C. Deng, Nanotechnology 34 (2023) 505712, https://doi.org/10.1088/1361-6528/acfaa6. doi: 10.1088/1361-6528/acfaa6
46. [46]
  G. Tang, J. Zhang, C. Bie, X. Zheng, C. Jiang, J. Yu, Adv. Mater. 37 (2025) e14576, https://doi.org/10.1002/adma.202514576. doi: 10.1002/adma.202514576
47. [47]
  Y. Ji, Y. Liu, Y. Xu, L. Liu, Y. Chen, Mater. Chem. Phys. 255 (2020) 123588, https://doi.org/10.1016/j.matchemphys.2020.123588. doi: 10.1016/j.matchemphys.2020.123588
48. [48]
  Priyanka, S. Chowdhury, Ritu, V. Kumar, R. Kumar, F. Chand, Phys. Scr. 99 (2024) 025945, https://doi.org/10.1088/1402-4896/ad1a0f. doi: 10.1088/1402-4896/ad1a0f
49. [49]
  S. Das, P. Ranjan, T. Chakraborty, Indian J. Phys. (2025), https://doi.org/10.1007/s12648-025-03775-x. doi: 10.1007/s12648-025-03775-x
50. [50]
  F. Xu, Y. He, J. Zhang, G. Liang, C. Liu, J. Yu, Angew. Chem. Int. Ed. 64 (2025) e202414672, https://doi.org/10.1002/anie.202414672. doi: 10.1002/anie.202414672
51. [51]
  W. Yu, J. Zhang, T. Peng, Appl. Catal. B 181 (2016) 220, https://doi.org/10.1016/j.apcatb.2015.07.031. doi: 10.1016/j.apcatb.2015.07.031
52. [52]
  F. Fu, Y. Li, Chin. J. Catal. 78 (2025) 4, https://doi.org/10.1016/S1872-2067(25)64809-1. doi: 10.1016/S1872-2067(25)64809-1
53. [53]
  C. Fu, G. Wang, Y. Huang, Y. Chen, H. Yuan, Y.S. Ang, H. Chen, Phys. Chem. Chem. Phys. 24 (2022) 3826, https://doi.org/10.1039/D1CP04679A. doi: 10.1039/D1CP04679A
54. [54]
  S. Zhang, H. Zheng, R. Jiang, J. Yuan, F. Li, T. Qin, A. Sakthivel, X. Liu, S. Alwarappan, Sens. Actuators B Chem. 351 (2022) 130966, https://doi.org/10.1016/j.snb.2021.130966. doi: 10.1016/j.snb.2021.130966
55. [55]
  Y. Liu, C. Chen, G. Dawson, J. Zhang, C. Shao, K. Dai, J. Mater. Sci. Technol. 233 (2025) 10, https://doi.org/10.1016/j.jmst.2024.12.094. doi: 10.1016/j.jmst.2024.12.094
56. [56]
  R. Kumar, A. Sudhaik, A.A. Pawaz Khan, V.-H. Nguyen, A. Singh, P. Singh, S. Thakur, P. Raizada, Acta Phys. Chim. Sin. 41 (2025) 100150, https://doi.org/10.1016/j.actphy.2025.100150. doi: 10.1016/j.actphy.2025.100150
57. [57]
  K. Meng, J. Zhang, B. Zhu, C. Jiang, H. García, J. Yu, Adv. Mater. 37 (2025) 2505088, https://doi.org/10.1002/adma.202505088. doi: 10.1002/adma.202505088
58. [58]
  T. Yang, J. Wang, Z. Wang, J. Zhang, K. Dai, Chin. J. Catal. 58 (2024) 157, https://doi.org/10.1016/S1872-2067(23)64607-8. doi: 10.1016/S1872-2067(23)64607-8
59. [59]
  Y. Tao, S. Zhang, J. Zhang, Z. Wang, G. Chen, X. Zheng, S. Chen, J. Materiomics 11 (2025) 100997, https://doi.org/10.1016/j.jmat.2024.100997. doi: 10.1016/j.jmat.2024.100997
60. [60]
  B. Liu, K. Meng, B. Cheng, L. Wang, G. Liang, C. Bie, J. Mater. Sci. Technol. 231 (2025) 286, https://doi.org/10.1016/j.jmst.2025.02.013. doi: 10.1016/j.jmst.2025.02.013
61. [61]
  Y. Huo, X. Zhou, F. Zhao, C. Ai, Z. Wu, Z. Chang, B. Zhu, Acta Phys. Chim. Sin. 41 (2025) 100148, https://doi.org/10.1016/j.actphy.2025.100148. doi: 10.1016/j.actphy.2025.100148
62. [62]
  Y. Huang, S. Song, J. Lian, J. Cao, Y. Zheng, J. Wang, M. Zhu, J. Pan, C. Li, Int. J. Hydrog. Energy 64 (2024) 1030, https://doi.org/10.1016/j.ijhydene.2024.03.357. doi: 10.1016/j.ijhydene.2024.03.357
63. [63]
  A.P. Rangappa, D.P. Kumar, M. Gopannagari, D.A. Reddy, Y. Hong, Y. Kim, T.K. Kim, Appl. Surf. Sci. 508 (2020) 144803, https://doi.org/10.1016/j.apsusc.2019.144803. doi: 10.1016/j.apsusc.2019.144803
64. [64]
  R. Liu, Z. Ni, O. Ruzimuradov, K. Turayev, T. Liu, L. Yu, P. Kuang, Acta Phys. Chim. Sin. 41 (2025) 100159, https://doi.org/10.1016/j.actphy.2025.100159. doi: 10.1016/j.actphy.2025.100159
65. [65]
  D. Gao, X. Zhang, P. Wang, J. Yu, H. Yu, Adv. Funct. Mater. 35 (2025) 2424527, https://doi.org/10.1002/adfm.202424527. doi: 10.1002/adfm.202424527
66. [66]
  H. Zhang, C. Shao, Z. Wang, J. Zhang, K. Dai, J. Mater. Sci. Technol. 195 (2024) 146, https://doi.org/10.1016/j.jmst.2023.11.081. doi: 10.1016/j.jmst.2023.11.081
67. [67]
  N. Li, Y. Qiu, L. Li, J. Zhang, Y. Gao, L. Ge, Small 21 (2025) 2408057, https://doi.org/10.1002/smll.202408057. doi: 10.1002/smll.202408057
68. [68]
  K. Gan, D. Gao, X. Yin, C. Bie, L. Zhang, J. Yu, H. Yu, J. Mater. Chem. A 13 (2025) 23104, https://doi.org/10.1039/D5TA03629A. doi: 10.1039/D5TA03629A
69. [69]
  J. Zhang, W. Li, J. Wang, X. Pu, G. Zhang, S. Wang, N. Wang, X. Li, Angew. Chem. Int. Ed. 62 (2023) e202215654, https://doi.org/10.1002/anie.202215654. doi: 10.1002/anie.202215654
70. [70]
  D. Gao, P. Deng, J. Zhang, L. Zhang, X. Wang, H. Yu, J. Yu, Angew. Chem. Int. Ed. 62 (2023) e202304559, https://doi.org/10.1002/anie.202304559. doi: 10.1002/anie.202304559
71. [71]
  W. Li, Z. Ni, O. Akdim, T. Liu, B. Zhu, P. Kuang, J. Yu, Adv. Mater. 37 (2025) 2503742, https://doi.org/10.1002/adma.202503742. doi: 10.1002/adma.202503742
72. [72]
  C. Zhu, B. Liu, R. Li, Acta Phys. Chim. Sin. 41 (2025) 100146, https://doi.org/10.1016/j.actphy.2025.100146. doi: 10.1016/j.actphy.2025.100146
73. [73]
  X. Yin, D. Gao, J. Zhang, H. García, J. Yu, H. Yu, J. Am. Chem. Soc. 147 (2025) 34881, https://doi.org/10.1021/jacs.5c11154. doi: 10.1021/jacs.5c11154
74. [74]
  F. Liu, Q. Xiang, X. Zhang, H. Zhou, New J. Chem. 47 (2023) 15694, https://doi.org/10.1039/D3NJ02597G. doi: 10.1039/D3NJ02597G
75. [75]
  Y. Fan, A. You, X. Fu, J. Shen, X. Zhao, L. Yang, L. Zhu, M. Xu, J. Colloid Interface Sci. 689 (2025) 137204, https://doi.org/10.1016/j.jcis.2025.02.212. doi: 10.1016/j.jcis.2025.02.212
76. [76]
  R. Mangiri, K. Sunil kumar, K. Subramanyam, Y.C. Ratnakaram, A. Sudharani, D.A. Reddy, R.P. Vijayalakshmi, Colloid Interface Sci. Commun. 43 (2021) 100437, https://doi.org/10.1016/j.colcom.2021.100437. doi: 10.1016/j.colcom.2021.100437
77. [77]
  F. Xu, W. Mei, P. Hu, L. Zheng, J. Zhang, H. Cao, H. García, J. Yu, Angew. Chem. Int. Ed. 64 (2025) e202513364, https://doi.org/10.1002/anie.202513364. doi: 10.1002/anie.202513364
78. [78]
  W. Yu, Chin. J. Catal. 73 (2025) 8, https://doi.org/10.1016/S1872-2067(25)60706-1. doi: 10.1016/S1872-2067(25)60706-1
79. [79]
  C. Bie, B. Zhu, L. Wang, H. Yu, C. Jiang, T. Chen, J. Yu, Angew. Chem. Int. Ed. 61 (2022) e202212045, https://doi.org/10.1002/anie.202212045. doi: 10.1002/anie.202212045
1. [1]
  Yuchen Zhou , Huanmin Liu , Hongxing Li , Xinyu Song , Yonghua Tang , Peng Zhou . Designing thermodynamically stable noble metal single-atom photocatalysts for highly efficient non-oxidative conversion of ethanol into high-purity hydrogen and value-added acetaldehyde. Acta Physico-Chimica Sinica, 2025, 41(6): 100067-0. doi: 10.1016/j.actphy.2025.100067
2. [2]
  Xinyu Miao , Hao Yang , Jie He , Jing Wang , Zhiliang Jin . Adjusting the electronic structure of Keggin-type polyoxometalates to construct S-scheme heterojunction for photocatalytic hydrogen evolution. Acta Physico-Chimica Sinica, 2025, 41(6): 100051-0. doi: 10.1016/j.actphy.2025.100051
3. [3]
  Fei Xie , Chengcheng Yuan , Haiyan Tan , Alireza Z. Moshfegh , Bicheng Zhu , Jiaguo Yu . d-Band Center Regulated O₂ Adsorption on Transition Metal Single Atoms Loaded COF: A DFT Study. Acta Physico-Chimica Sinica, 2024, 40(11): 2407013-0. doi: 10.3866/PKU.WHXB202407013
4. [4]
  Jiali Lei , Juan Wang , Wenhui Zhang , Guohong Wang , Zihui Liang , Jinmao Li . TiO₂/CdIn₂S₄ S-scheme heterojunction photocatalyst promotes photocatalytic hydrogen evolution coupled vanillyl alcohol oxidation. Acta Physico-Chimica Sinica, 2025, 41(12): 100174-0. doi: 10.1016/j.actphy.2025.100174
5. [5]
  Ze Luo , Yukun Zhu , Yadan Luo , Guangmin Ren , Yonghong Wang , Hua Tang . Photocatalytic selective oxidation of 5-hydroxymethylfurfural coupled with H₂ evolution over In₂O₃/ZnIn₂S₄ S-scheme heterojunction. Acta Physico-Chimica Sinica, 2026, 42(3): 100166-0. doi: 10.1016/j.actphy.2025.100166
6. [6]
  Jiajie Cai , Chang Cheng , Bowen Liu , Jianjun Zhang , Chuanjia Jiang , Bei Cheng . CdS/DBTSO-BDTO S-scheme photocatalyst for H₂ production and its charge transfer dynamics. Acta Physico-Chimica Sinica, 2025, 41(8): 100084-0. doi: 10.1016/j.actphy.2025.100084
7. [7]
  Xinwan Zhao , Yue Cao , Minjun Lei , Zhiliang Jin , Tsubaki Noritatsu . Constructing S-scheme heterojunctions by integrating covalent organic frameworks with transition metal sulfides for efficient noble-metal-free photocatalytic hydrogen evolution. Acta Physico-Chimica Sinica, 2025, 41(12): 100152-0. doi: 10.1016/j.actphy.2025.100152
8. [8]
  Kaihui Huang , Dejun Chen , Xin Zhang , Rongchen Shen , Peng Zhang , Difa Xu , Xin Li . Constructing Covalent Triazine Frameworks/N-Doped Carbon-Coated Cu₂O S-Scheme Heterojunctions for Boosting Photocatalytic Hydrogen Production. Acta Physico-Chimica Sinica, 2024, 40(12): 2407020-0. doi: 10.3866/PKU.WHXB202407020
9. [9]
  Chengyan Ge , Jiawei Hu , Xingyu Liu , Yuxi Song , Chao Liu , Zhigang Zou . Self-integrated black NiO clusters with ZnIn₂S₄ microspheres for photothermal-assisted hydrogen evolution by S-scheme electron transfer mechanism. Acta Physico-Chimica Sinica, 2026, 42(1): 100154-0. doi: 10.1016/j.actphy.2025.100154
10. [10]
  Yi Yang , Xin Zhou , Miaoli Gu , Bei Cheng , Zhen Wu , Jianjun Zhang . Femtosecond transient absorption spectroscopy investigation on ultrafast electron transfer in S-scheme ZnO/CdIn₂S₄ photocatalyst for H₂O₂ production and benzylamine oxidation. Acta Physico-Chimica Sinica, 2025, 41(6): 100064-0. doi: 10.1016/j.actphy.2025.100064
11. [11]
  Shuang Cao , Bo Zhong , Chuanbiao Bie , Bei Cheng , Feiyan Xu . Insights into Photocatalytic Mechanism of H₂ Production Integrated with Organic Transformation over WO₃/Zn_0.5Cd_0.5S S-Scheme Heterojunction. Acta Physico-Chimica Sinica, 2024, 40(5): 2307016-0. doi: 10.3866/PKU.WHXB202307016
12. [12]
  Lele Feng , Xueying Bai , Jifeng Pang , Hongchen Cao , Xiaoyan Liu , Wenhao Luo , Xiaofeng Yang , Pengfei Wu , Mingyuan Zheng . Single-atom Pd boosted Cu catalysts for ethanol dehydrogenation. Acta Physico-Chimica Sinica, 2025, 41(9): 100100-0. doi: 10.1016/j.actphy.2025.100100
13. [13]
  Wenlong Wang , Wentao Hao , Lang He , Jia Qiao , Ning Li , Chaoqiu Chen , Yong Qin . Bandgap and adsorption engineering of carbon dots/TiO₂ S-scheme heterojunctions for enhanced photocatalytic CO₂ methanation. Acta Physico-Chimica Sinica, 2025, 41(9): 100116-0. doi: 10.1016/j.actphy.2025.100116
14. [14]
  Qingtao CHEN , Xiangdong SHI , Xianghai RAO , Jiong LI , Xiaoyun QIN , Yiwen GUAN , Binyan ZOU , Guixia LIU , Fenghua CHEN . Employing polydopamine as an electron bridge to construct an S-scheme heterojunction and flexible film for highly efficient photocatalytic degradation of water pollutants. Chinese Journal of Inorganic Chemistry, 2026, 42(4): 747-759. doi: 10.11862/CJIC.20250286
15. [15]
  Chenye An , Sikandaier Abiduweili , Xue Guo , Yukun Zhu , Hua Tang , Dongjiang Yang . Hierarchical S-scheme Heterojunction of Red Phosphorus Nanoparticles Embedded Flower-like CeO₂ Triggering Efficient Photocatalytic Hydrogen Production. Acta Physico-Chimica Sinica, 2024, 40(11): 2405019-0. doi: 10.3866/PKU.WHXB202405019
16. [16]
  Zhen Li , Sujuan Zhang , Zhongliao Wang , Jinfeng Zhang , Gaoli Chen , Shifu Chen . Rational design of S-scheme CdS/MnO₂ heterojunctions for high-value photothermal synergistic catalytic oxidation of toluene. Acta Physico-Chimica Sinica, 2026, 42(4): 100179-0. doi: 10.1016/j.actphy.2025.100179
17. [17]
  Peng Li , Yuanying Cui , Zhongliao Wang , Graham Dawson , Chunfeng Shao , Kai Dai . Efficient interfacial charge transfer of CeO₂/Bi₁₉Br₃S₂₇ S-scheme heterojunction for boosted photocatalytic CO₂ reduction. Acta Physico-Chimica Sinica, 2025, 41(6): 100065-0. doi: 10.1016/j.actphy.2025.100065
18. [18]
  Weikang Wang , Yadong Wu , Jianjun Zhang , Kai Meng , Jinhe Li , Lele Wang , Qinqin Liu . Green H₂O₂ synthesis via melamine-foam supported S-scheme Cd_0.5Zn_0.5In₂S₄/S-doped carbon nitride heterojunction: synergistic interfacial charge transfer and local photothermal effect. Acta Physico-Chimica Sinica, 2025, 41(8): 100093-0. doi: 10.1016/j.actphy.2025.100093
19. [19]
  You Wu , Chang Cheng , Kezhen Qi , Bei Cheng , Jianjun Zhang , Jiaguo Yu , Liuyang Zhang . Efficient Photocatalytic Production of H₂O₂ over ZnO/D-A Conjugated Polymer S-scheme Heterojunction and Charge Transfer Dynamics Investigation. Acta Physico-Chimica Sinica, 2024, 40(11): 2406027-0. doi: 10.3866/PKU.WHXB202406027
20. [20]
  Aoyun Meng , Zhenhua Li , Guoyuan Xiong , Zhen Li , Jinfeng Zhang . S-scheme heterojunction Al₆Si₂O₁₃/BiOBr with enhanced charge transfer effect for efficient and stable photocatalytic degradation of triazophos and dichlorvos pesticides. Acta Physico-Chimica Sinica, 2026, 42(5): 100186-0. doi: 10.1016/j.actphy.2025.100186

Get Citation

PDF

XML

Metrics

PDF Downloads(1)
Abstract views(44)
HTML views(6)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

A dual-functional single-atom modified SnS2/CdS S-scheme photocatalyst for synergistic hydrogen production and lactic acid oxidation: A DFT study

Metrics

通讯作者: 陈斌, bchen63@163.com

A dual-functional single-atom modified SnS₂/CdS S-scheme photocatalyst for synergistic hydrogen production and lactic acid oxidation: A DFT study