First-principles investigation of Cu-doped ZnS with enhanced photocatalytic hydrogen production activity

Chemical Physics Letters

Volumn 668, Issue , 2017, Pages 1-6

  Dong, Ming ^a   Zhou, Peng ^a   Jiang, Chuanjia ^a   Cheng, Bei ^a   Yu, Jiaguo ^a,b  

^a WUHAN UNIVERSITY OF TECHNOLOGY   (China)

^b KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

Doped ZnS; Effective mass; Photocatalytic hydrogen production; Substitutional Cu; Visible light response

Indexed keywords

CALCULATIONS; COPPER; DENSITY FUNCTIONAL THEORY; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONIC PROPERTIES; ENERGY GAP; LIGHT; LIGHT ABSORPTION; VACANCIES; ZINC; ZINC SULFIDE;

DOPED ZNS; EFFECTIVE MASS; PHOTOCATALYTIC HYDROGEN PRODUCTION; SUBSTITUTIONAL CU; VISIBLE-LIGHT RESPONSE;

HYDROGEN PRODUCTION;

EID: 85006325344     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2016.12.008     Document Type: Article

References (49)

1. [1] Zhou, P., Yu, J., Jaroniec, M., All-solid-state Z-scheme photocatalytic systems. Adv. Mater. 26 (2014), 4920–4935.
2. [2] Di, T., Zhu, B., Zhang, J., Cheng, B., Yu, J., Enhanced photocatalytic H2 production on CdS nanorod using cobalt-phosphate as oxidation cocatalyst. Appl. Surf. Sci. 389 (2016), 775–782.
3. [3] Hisatomi, T., Kubota, J., Domen, K., Recent advances in semiconductors for photocatalytic and photoelectrochemical water splitting. Chem. Soc. Rev. 43 (2014), 7520–7535.
4. [4] Zhang, J., Huang, F., Enhanced visible light photocatalytic H2 production activity of g-C3N4 via carbon fiber. Appl. Surf. Sci. 358 (2015), 287–295.
5. 3OH via facile coupling of ZnO: a direct Z-scheme mechanism. J. Mater. Chem. A 3 (2015), 19936–19947.
6. [6] Ming, F., Hong, J., Xu, X., Wang, Z., Dandelion-like ZnS/carbon quantum dots hybrid materials with enhanced photocatalytic activity toward organic pollutants. RSC Adv. 6 (2016), 31551–31558.
7. [7] Wang, C., Zhang, X., Liu, Y., Promotion of multi-electron transfer for enhanced photocatalysis: a review focused on oxygen reduction reaction. Appl. Surf. Sci. 358 (2015), 28–45.
8. [8] Kalpana, K., Selvaraj, V., Photodegradation and antibacterial studies of ZnS enwrapped fly ash nanocomposite for multipurpose industrial applications. RSC Adv. 5 (2015), 47766–47777.
9. [9] Zhang, J., Wageh, S., Al-Ghamdi, A.A., Yu, J., New understanding on the different photocatalytic activity of wurtzite and zinc-blende CdS. Appl. Catal. B 192 (2016), 101–107.
10. 2: a review. Appl. Surf. Sci. 392 (2017), 658–686.
11. [11] Wang, X., Li, Y., Wang, M., Li, W., Chen, M., Zhao, Y., Synthesis of tunable ZnS-CuS microspheres and visible-light photoactivity for rhodamine B. New J. Chem. 38 (2014), 4182–4189.
12. 2 composite heterostructures. Appl. Surf. Sci. 358 (2015), 196–203.
13. [13] Li, X., Yu, J., Jaroniec, M., Hierarchical photocatalysts. Chem. Soc. Rev. 45 (2016), 2603–2636.
14. 2-production photocatalytic materials. J. Photochem. Photobiol. C 27 (2016), 72–99.
15. [15] Xu, Y., Xu, R., Nickel-based cocatalysts for photocatalytic hydrogen production. Appl. Surf. Sci. 351 (2015), 779–793.
16. 2 reduction activity. Small 11 (2015), 5262–5271.
17. [17] Lei, Y., Chen, F., Li, R., Xu, J., A facile solvothermal method to produce graphene-ZnS composites for superior photoelectric applications. Appl. Surf. Sci. 308 (2014), 206–210.
18. [18] Zeng, B., Chen, X., Tang, Q., Chen, C., Hu, A., Ordered mesoporous necklace-like ZnS on graphene for use as a high performance photocatalyst. Appl. Surf. Sci. 308 (2014), 321–327.
19. 1−xS nanorods and their composite with RGO for high-performance visible-light photocatalysis. RSC Adv. 5 (2015), 27829–27836.
20. [20] Dong, M., Zhang, J., Yu, J., Effect of effective mass and spontaneous polarization on photocatalytic activity of wurtzite and zinc-blende ZnS. APL Mater., 3, 2015, 104404.
21. [21] Hong, Y., Zhang, J., Wang, X., Wang, Y., Lin, Z., Yu, J., Huang, F., Influence of lattice integrity and phase composition on the photocatalytic hydrogen production efficiency of ZnS nanomaterials. Nanoscale 4 (2012), 2859–2862.
22. [22] Meng, X., Xiao, H., Wen, X., Goddard, W.A. III, Li, S., Qin, G., Dependence on the structure and surface polarity of ZnS photocatalytic activities of water splitting: first-principles calculations. Phys. Chem. Chem. Phys. 15 (2013), 9531–9539.
23. 2-production performance. Nano Lett. 12 (2012), 4584–4589.
24. [24] Xu, Y., Schoonen, M.A.A., The absolute energy positions of conduction and valence bands of selected semiconducting minerals. Am. Mineral. 85 (2000), 543–556.
25. 2S-incorporated ZnS nanocomposites for photocatalytic hydrogen evolution. RSC Adv. 5 (2015), 30175–30186.
26. [26] Ong, H.C., Chang, R.P.H., Optical constants of wurtzite ZnS thin films determined by spectroscopic ellipsometry. Appl. Phys. Lett. 79 (2001), 3612–3614.
27. [27] Ham, S., Kim, Y., Park, M.J., Hong, B.H., Jang, D., Graphene quantum dots-decorated ZnS nanobelts with highly efficient photocatalytic performances. RSC Adv. 6 (2016), 24115–24120.
28. [28] Yu, W., Zhang, J., Peng, T., New insight into the enhanced photocatalytic activity of N-, C- and S-doped ZnO photocatalyst. Appl. Catal. B 181 (2016), 220–227.
29. 2 photocatalyst by Al doping: density functional theory approach. Chem. Phys. Lett. 654 (2016), 13–17.
30. 2 nanomaterials. Chin. J. Catal. 36 (2015), 2049–2070.
31. xS nanocrystals. Appl. Surf. Sci. 351 (2015), 1122–1130.
32. [32] Liao, P., Carter, E.A., New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides. Chem. Soc. Rev. 42 (2013), 2401–2422.
33. 2 photocatalysts. Appl. Surf. Sci. 389 (2016), 760–767.
34. 2O composite for enhanced photocatalytic hydrogen generation. J. Materiomics 1 (2015), 124–133.
35. 2. Chin. J. Catal. 36 (2015), 2229–2236.
36. 3 nanorod thin film. Chem. Phys. Lett. 658 (2016), 309–314.
37. 4 octahedra. Appl. Surf. Sci. 351 (2015), 1146–1154.
38. [38] Segall, M.D., Lindan, P.J.D., Probert, M.J., Pickard, C.J., Hasnip, P.J., Clark, S.J., Payne, M.C., First-principles simulation: ideas, illustrations and the CASTEP code. J. Phys.: Condens. Matter. 14 (2002), 2717–2744.
39. [39] Perdew, J.P., Burke, K., Ernzerhof, M., Generalized gradient approximation made simple. Phys. Rev. Lett. 77 (1996), 3865–3868.
40. 8, and ZnS by the decomposition of diethyldithiocarbamate complexes. J. Solid State Chem. 101 (1992), 115–118.
41. 0.01S nanorods generated by a one-step hydrothermal process. Dalton Trans. 43 (2014), 11019–11026.
42. [42] Sun, H., Zhao, X., Zhang, L., Fan, W., Origin of the enhanced visible photocatalytic activity in (N, C)-codoped ZnS studied from density functional theory. J. Phys. Chem. C 115 (2011), 2218–2227.
43. 2. Phys. Chem. Chem. Phys. 16 (2014), 20382–20386.
44. 2 by first-principles. Appl. Catal. B 142–143 (2013), 45–53.
45. [45] Li, N., Zhang, L., Zhou, J., Jing, D., Sun, Y., Localized nano-solid-solution induced by Cu doping in ZnS for efficient solar hydrogen generation. Dalton Trans. 43 (2014), 11533–11541.
46. [46] Goktas, A., Aslan, F., Tumbul, A., Nanostructured Cu-doped ZnS polycrystalline thin films produced by a wet chemical route: the influences of Cu doping and film thickness on the structural, optical and electrical properties. J. Sol-Gel Sci. Technol. 75 (2015), 45–53.
47. [47] Li, Q., Li, X., Wageh, S., Al-Ghamdi, A.A., Yu, J., CdS/graphene nanocomposite photocatalysts. Adv. Energy Mater., 5, 2015, 1500010.
48. 2 reduction to solar fuel. J. Phys. Chem. Lett. 6 (2015), 4244–4251.
49. 4 composite photocatalysts. Chem. Phys. Lett. 664 (2016), 167–172.