双功能单原子修饰SnS<sub>2</sub>/CdS S型光催化剂用于协同产氢与乳酸氧化的DFT研究

引用本文: 袁成成, 夏伟, 王骏, 朱潇锋, 张勇, 朱必成, 余家国. 双功能单原子修饰SnS₂/CdS S型光催化剂用于协同产氢与乳酸氧化的DFT研究[J]. 物理化学学报, 2026, 42(6): 100244. doi: 10.1016/j.actphy.2026.100244 shu

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

双功能单原子修饰SnS₂/CdS S型光催化剂用于协同产氢与乳酸氧化的DFT研究

袁成成 ^1, ,
夏伟 ^{1,
,} ,
王骏 ^2, ,
朱潇锋 ^2, ,
张勇 ^3, ,
朱必成 ^{1, 2,
,} ,
余家国 ^{1,
,}

1.
中国地质大学(武汉)材料与化学学院, 太阳燃料实验室, 湖北武汉 430078
2.
西南科技大学材料与化学学院, 环境友好能源材料国家重点实验室, 四川绵阳 621010
3.
湖北理工学院新材料与绿色化工学院，高分子材料化学助剂湖北省工程研究中心，湖北黄石 435003

通讯作者: Email: xiawei@cug.edu.cn (夏伟); zhubicheng@cug.edu.cn (朱必成); yujiaguo93@cug.edu.cn (余家国)

摘要: 设计高效S型光催化剂以实现同步产氢与有机物氧化，对于可持续能源转化具有重要意义。本文构建了一种负载过渡金属单原子(TM = Pt、Pd、Au)的新型SnS₂/CdS S型异质结。通过系统的密度泛函理论(DFT)计算，研究了其几何结构、电子性质以及表面氢吸附与乳酸(LA)氧化反应机制。结果表明，在异质结中电子通过界面Cd–S键从CdS向SnS₂转移，形成稳定的复合结构，而TM单原子通过与表面S原子形成TM–S键得以稳定。TM原子的引入增强了界面电子转移。值得注意的是，锚定在CdS表面的TM原子可有效调控相邻S原子的p带中心，从而弱化S–H键并优化氢吸附-脱附平衡；同时，SnS₂表面的TM原子能增强LA吸附能，降低脱氢氧化过程中决速步骤的能垒。该工作证明，在S型异质结的不同组分上策略性排布单原子可协同增强还原与氧化半反应，为合理设计高性能单原子负载S型光催化体系以实现协同产氢与高值化学品合成提供了深刻见解。

关键词:

English

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: Email: xiawei@cug.edu.cn (Wei Xia); zhubicheng@cug.edu.cn (Bicheng Zhu); yujiaguo93@cug.edu.cn (Jiaguo Yu)

Received Date: 02 January 2026
Accepted Date: 15 January 2026
Revised Date: 10 January 2026
Available Online: 15 June 2026

Abstract: 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.

Key words:

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

扫一扫看文章

计量

PDF下载量: 1
文章访问数: 61
HTML全文浏览量: 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

双功能单原子修饰SnS₂/CdS S型光催化剂用于协同产氢与乳酸氧化的DFT研究

通讯作者: Email: xiawei@cug.edu.cn (夏伟); zhubicheng@cug.edu.cn (朱必成); yujiaguo93@cug.edu.cn (余家国)

English

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

Corresponding author: Email: xiawei@cug.edu.cn (Wei Xia); zhubicheng@cug.edu.cn (Bicheng Zhu); yujiaguo93@cug.edu.cn (Jiaguo Yu)

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

计量

通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

双功能单原子修饰SnS2/CdS S型光催化剂用于协同产氢与乳酸氧化的DFT研究

通讯作者: Email: xiawei@cug.edu.cn (夏伟); zhubicheng@cug.edu.cn (朱必成); yujiaguo93@cug.edu.cn (余家国)

English

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

Corresponding author: Email: xiawei@cug.edu.cn (Wei Xia); zhubicheng@cug.edu.cn (Bicheng Zhu); yujiaguo93@cug.edu.cn (Jiaguo Yu)

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

计量

文章相关

通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

双功能单原子修饰SnS₂/CdS S型光催化剂用于协同产氢与乳酸氧化的DFT研究

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

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs