Issue

Vol. 16 (2024)

Understanding Bridging Sites and Accelerating Quantum Efficiency for Photocatalytic CO2 Reduction

https://doi.org/10.1007/s40820-023-01221-3
Kangwang Wang
School of Materials Science and Engineering, State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, Key Lab of Polymer Composite and Functional Materials, Sun Yat-Sen University, No. 135, Xingang Xi Road, Guangzhou 510275, People’s Republic of China
Zhuofeng Hu
School of Environmental Science and Engineering, Sun Yat-Sen University, No. 135, Xingang Xi Road, Guangzhou 510275, People’s Republic of China
Peifeng Yu
School of Materials Science and Engineering, State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, Key Lab of Polymer Composite and Functional Materials, Sun Yat-Sen University, No. 135, Xingang Xi Road, Guangzhou 510275, People’s Republic of China
Alina M. Balu
Departamento de Química Orgánica, Universidad de Córdoba, Campus Universitario de Rabanales, Edificio Marie Curie (C3), 14014 Córdoba, Spain
Kuan Li
School of Materials Science and Engineering, State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, Key Lab of Polymer Composite and Functional Materials, Sun Yat-Sen University, No. 135, Xingang Xi Road, Guangzhou 510275, People’s Republic of China
Longfu Li
School of Materials Science and Engineering, State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, Key Lab of Polymer Composite and Functional Materials, Sun Yat-Sen University, No. 135, Xingang Xi Road, Guangzhou 510275, People’s Republic of China
Lingyong Zeng
School of Materials Science and Engineering, State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, Key Lab of Polymer Composite and Functional Materials, Sun Yat-Sen University, No. 135, Xingang Xi Road, Guangzhou 510275, People’s Republic of China
Chao Zhang
School of Materials Science and Engineering, State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, Key Lab of Polymer Composite and Functional Materials, Sun Yat-Sen University, No. 135, Xingang Xi Road, Guangzhou 510275, People’s Republic of China
Rafael Luque
Center for Refining and Advanced Chemicals, King Fahd University of Petroleum and Minerals, 31261 Dhahran, Saudi Arabia
Kai Yan
School of Environmental Science and Engineering, Sun Yat-Sen University, No. 135, Xingang Xi Road, Guangzhou 510275, People’s Republic of China
Huixia Luo
School of Materials Science and Engineering, State Key Laboratory of Optoelectronic Materials and Technologies, Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices, Key Lab of Polymer Composite and Functional Materials, Sun Yat-Sen University, No. 135, Xingang Xi Road, Guangzhou 510275, People’s Republic of China

Corresponding Author: Huixia Luo

luohx7@mail.sysu.edu.cn

Nano-Micro Letters, Vol. 16 (2024), Article Number: 5

Abstract

We report a novel double-shelled nanoboxes photocatalyst architecture with tailored interfaces that accelerate quantum efficiency for photocatalytic CO2 reduction reaction (CO2RR) via Mo–S bridging bonds sites in Sv–In2S3@2H–MoTe2. The X-ray absorption near-edge structure shows that the formation of Sv–In2S3@2H–MoTe2 adjusts the coordination environment via interface engineering and forms Mo–S polarized sites at the interface. The interfacial dynamics and catalytic behavior are clearly revealed by ultrafast femtosecond transient absorption, time-resolved, and in situ diffuse reflectance–Infrared Fourier transform spectroscopy. A tunable electronic structure through steric interaction of Mo–S bridging bonds induces a 1.7-fold enhancement in Sv–In2S3@2H–MoTe2(5) photogenerated carrier concentration relative to pristine Sv–In2S3. Benefiting from lower carrier transport activation energy, an internal quantum efficiency of 94.01% at 380 nm was used for photocatalytic CO2RR. This study proposes a new strategy to design photocatalyst through bridging sites to adjust the selectivity of photocatalytic CO2RR.


Highlights:
1 The S-vacancies result in the change of d-band electronic state of Mo.
2 An internal quantum efficiency of 94.01% at 380 nm for photocatalytic CO2 reduction reaction (CO2RR).
3 The Mo–S bridging bonds optimize adsorption energies and accelerate CO2RR kinetics.

Keywords

Quantum efficiency Electronic structure Steric interaction Bridging sites CO2 reduction
Wang, Kangwang, Zhuofeng Hu, Peifeng Yu, Alina M. Balu, Kuan Li, Longfu Li, Lingyong Zeng, Chao Zhang, Rafael Luque, Kai Yan, and Huixia Luo. 2023. “Understanding Bridging Sites and Accelerating Quantum Efficiency for Photocatalytic CO2 Reduction”. Nano-Micro Letters 16 (November):5. https://doi.org/10.1007/s40820-023-01221-3.
Download Citation
Endnote/Zotero/Mendeley (RIS)
BibTeX
References
  1. G. Wen, D.U. Lee, B. Ren, F.M. Hassan, G. Jiang et al., Orbital interactions in Bi-Sn bimetallic electrocatalysts for highly selective electrochemical CO2 reduction toward formate production. Adv. Energy Mater. 8, 1802427 (2018). https://doi.org/10.1002/aenm.201802427
  2. C. Qiu, K. Qian, J. Yu, M. Sun, S. Cao et al., MOF-transformed In2O3-x@C nanocorn electrocatalyst for efficient CO2 reduction to HCOOH. Nano-Micro Lett. 14, 167 (2022). https://doi.org/10.1007/s40820-022-00913-6
  3. J. Li, S.U. Abbas, H. Wang, Z. Zhang, W. Hu, Recent advances in interface engineering for electrocatalytic CO2 reduction reaction. Nano-Micro Lett. 13, 216 (2021). https://doi.org/10.1007/s40820-021-00738-9
  4. S. Ji, Y. Qu, T. Wang, Y. Chen, G. Wang et al., Rare-earth single erbium atoms for enhanced photocatalytic CO2 reduction. Angew. Chem. Int. Ed. 59, 10651–10657 (2020). https://doi.org/10.1002/anie.202003623
  5. K. Li, Y. Cai, X. Yang, S. Wang, C. Teng et al., H2S involved photocatalytic system: a novel syngas production strategy by boosting the photoreduction of CO2 while recovering hydrogen from the environmental toxicant. Adv. Funct. Mater. 32, 2113002 (2022). https://doi.org/10.1002/adfm.202113002
  6. R. Yang, Y. Fan, Y. Zhang, L. Mei, R. Zhu et al., 2D transition metal dichalcogenides for photocatalysis. Angew. Chem. Int. Ed. 62, e202218016 (2023). https://doi.org/10.1002/anie.202218016
  7. H. Guo, T. Yang, M. Yamamoto, L. Zhou, R. Ishikawa et al., Double resonance Raman modes in monolayer and few-layer MoTe2. Phys. Rev. B 91, 205415 (2015). https://doi.org/10.1103/PhysRevB.91.205415
  8. K.A.N. Duerloo, Y. Li, E.J. Reed, Structural phase transitions in two-dimensional Mo- and W-dichalcogenide monolayers. Nat. Commun. 5, 4214 (2014). https://doi.org/10.1038/ncomms5214
  9. Y. Feng, C. Wang, P. Cui, C. Li, B. Zhang et al., Ultrahigh photocatalytic CO2 reduction efficiency and selectivity manipulation by single-tungsten-atom oxide at the atomic step of TiO2. Adv. Mater. 34, 2109074 (2022). https://doi.org/10.1002/adma.202109074
  10. G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169–11186 (1996). https://doi.org/10.1103/PhysRevB.54.11169
  11. J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996). https://doi.org/10.1103/PhysRevLett.77.3865
  12. G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758–1775 (1999). https://doi.org/10.1103/PhysRevB.59.1758
  13. V. Wang, N. Xu, J. Liu, G. Tang, W. Geng, Vaspkit: A user-friendly interface facilitating high-throughput computing and analysis using vasp code. Comput. Phys. Commun. 267, 108033 (2021). https://doi.org/10.1016/j.cpc.2021.108033
  14. S. Grimme, J. Antony, S. Ehrlich, H. Krieg, A consistent and accurate ab initio parametrization of density functional dispersion correction (Dft-D) for the 94 elements H-Pu. J. chem. phys. 132, 154104 (2010). https://doi.org/10.1063/1.3382344
  15. Z. Wang, J. Zhu, X. Zu, Y. Wu, S. Shang et al., Selective CO2 photoreduction to CH4 via Pdδ+-assisted hydrodeoxygenation over CeO2 nanosheets. Angew. Chem. Int. Ed. 61, e202203249 (2022). https://doi.org/10.1002/anie.202203249
  16. NIST-JANAF Thermochemical Tables. https://janaf.nist.gov/
  17. Y.N. Bo, H.Y. Wang, Y.X. Lin, T. Yang, R. Ye et al., Altering hydrogenation pathways in photocatalytic nitrogen fixation by tuning local electronic structure of oxygen vacancy with dopant. Angew. Chem. Int. Ed. 60, 16085 (2021). https://doi.org/10.1002/anie.202104001
  18. Q. Li, C. Fang, Z. Yang, B. Yu, M. Takabatake et al., Modulating the oxidation state of titanium via dual anions substitution for efficient N2 electroreduction. Small 18, 2201343 (2022). https://doi.org/10.1002/smll.202201343
  19. O.E. Dagdeviren, D. Glass, R. Sapienza, E. Cortés, S.A. Maier et al., The effect of photoinduced surface oxygen vacancies on the charge carrier dynamics in TiO2 films. Nano Lett. 21, 8348–8354 (2021). https://doi.org/10.1021/acs.nanolett.1c02853
  20. A.S. Al-Fatesh, Y. Arafat, S.O. Kasim, A.A. Ibrahim, A.E. Abasaeed et al., In situ auto-gasification of coke deposits over a novel Ni-Ce/W-Zr catalyst by sequential generation of oxygen vacancies for remarkably stable syngas production via CO2-reforming of methane. Appl. Catal. B Environ. 280, 119445 (2021). https://doi.org/10.1016/j.apcatb.2020.119445
  21. Y. Liu, Y. Zheng, W. Zhang, Z. Peng, H. Xie et al., Template-free preparation of non-metal (B, P, S) doped g-C3N4 tubes with enhanced photocatalytic H2O2 generation. J. Mater. Sci. Technol. 95, 127–135 (2021). https://doi.org/10.1016/j.jmst.2021.03.025
  22. X. Yao, X. Hu, W. Zhang, X. Gong, X. Wang et al., Mie resonance in hollow nanoshells of ternary TiO2-Au-CdS and enhanced photocatalytic hydrogen evolution. Appl. Catal. B Environ. 276, 119153 (2020). https://doi.org/10.1016/j.apcatb.2020.119153
  23. H. Cheng, Q. Liu, Y. Diao, L. Wei, J. Chen et al., CoMo2S4 with superior conductivity for electrocatalytic hydrogen evolution: elucidating the key role of co. Adv. Funct. Mater. 9, 2103732 (2021). https://doi.org/10.1002/adfm.202103732
  24. S. Gong, Y. Niu, X. Liu, C. Xu, C. Chen et al., Selective CO2 photoreduction to acetate at asymmetric ternary bridging sites. ACS Nano 17, 4922–4932 (2023). https://doi.org/10.1021/acsnano.2c11977
  25. C. Zhan, Y. Xu, L. Bu, H. Zhu, Y. Feng et al., Subnanometer high-entropy alloy nanowires enable remarkable hydrogen oxidation catalysis. Nat. Commun. 12, 6261 (2021). https://doi.org/10.1038/s41467-021-26425-2
  26. W. Liu, P. Fu, Y. Zhang, H. Xu, H. Wang et al., Efficient hydrogen production from wastewater remediation by piezoelectricity coupling advanced oxidation processes. PNAS 120, e2218813120 (2023). https://doi.org/10.1073/pnas.2218813120
  27. K.K. Halankar, B.P. Mandal, A.K. Tyagi, Superior electrochemical performance of MoS2 decorated on functionalized carbon nanotubes as anode material for sodium ion battery. Carbon Trends 5, 100103 (2021). https://doi.org/10.1016/j.cartre.2021.100103
  28. X. Guo, E. Song, W. Zhao, S. Xu, W. Zhao et al., Charge self-regulation in 1T’’’-MoS2 structure with rich S vacancies for enhanced hydrogen evolution activity. Nat. Commun. 13, 5954 (2022). https://doi.org/10.1038/s41467-022-33636-8
  29. J.C. McGlynn, T. Dankwort, L. Kienle, N.A.G. Bandeira, J.P. Fraser et al., The rapid electrochemical activation of MoTe2 for the hydrogen evolution reaction. Nat. Commun. 10, 4916 (2019). https://doi.org/10.1038/s41467-019-12831-0
  30. D. Lee, Y. Lee, Beneficial effect of V on stability of dispersed MoS2 catalysts in slurry phase hydrocracking of vacuum residue: XAFS studies. J. Catal. 413, 443–454 (2022). https://doi.org/10.1016/j.jcat.2022.06.037
  31. J.Y. Zhang, J. Liang, B. Mei, K. Lan, L. Zu et al., Synthesis of Ni/NiO@MoO3−x composite nanoarrays for high current density hydrogen evolution reaction. Adv. Energy Mater. 12, 2200001 (2022). https://doi.org/10.1002/aenm.202200001
  32. M. Krbal, V. Prokop, A.A. Kononov, J.R. Pereira, J. Mistrik et al., Amorphous-to-crystal transition in quasi-two-dimensional MoS2: implications for 2D electronic devices. ACS Appl. Nano Mater. 4, 8834–8844 (2021). https://doi.org/10.1021/acsanm.1c01504
  33. X. Zhao, X. Li, Z. Zhu, W. Hu, H. Zhang et al., Single-atom Co embedded in BCN matrix to achieve 100% conversion of peroxymonosulfate into singlet oxygen. Appl. Catal. B Environ. 300, 120759 (2022). https://doi.org/10.1016/j.apcatb.2021.120759
  34. M. Cao, L. Ni, Z. Wang, J. Liu, Y. Tian et al., DFT investigation on direct Z-scheme photocatalyst for overall water splitting: MoTe2/BAs van der Waals heterostructure. Appl. Surf. Sci. 551, 149364 (2021). https://doi.org/10.1016/j.apsusc.2021.149364
  35. M. Tan, Y. Ma, C. Yu, Q. Luan, J. Li et al., Boosting photocatalytic hydrogen production via interfacial engineering on 2D ultrathin Z-scheme ZnIn2S4/g-C3N4 heterojunction. Adv. Funct. Mater. 32, 2111740 (2022). https://doi.org/10.1002/adfm.202111740
  36. M. Humayun, N. Sun, F. Raziq, X. Zhang, R. Yan et al., Synthesis of ZnO/Bi-doped porous LaFeO3 nanocomposites as highly efficient nano-photocatalysts dependent on the enhanced utilization of visible-light-excited electrons. Appl. Catal. B Environ. 231, 23–33 (2018). https://doi.org/10.1016/j.apcatb.2018.02.060
  37. Q. Zhang, S. Gao, Y. Guo, H. Wang, J. Wei et al., Designing covalent organic frameworks with Co–O4 atomic sites for efficient CO2 photoreduction. Nat. Commun. 14, 1147 (2023). https://doi.org/10.1038/s41467-023-36779-4
  38. L. Ran, Z. Li, B. Ran, J. Cao, Y. Zhao et al., Engineering single-atom active sites on covalent organic frameworks for boosting CO2 photoreduction. J. Am. Chem. Soc. 144, 17097–17109 (2022). https://doi.org/10.1021/jacs.2c06920
  39. X. Chen, C. Peng, W. Dan, L. Yu, Y. Wu et al., Bromo- and iodo-bridged building units in metal-organic frameworks for enhanced carrier transport and CO2 photoreduction by water vapor. Nat. Commun. 13, 4592 (2022). https://doi.org/10.1038/s41467-022-32367-0
  40. S. Yue, L. Chen, M. Zhang, Z. Liu, T. Chen et al., Electrostatic field enhanced photocatalytic CO2 conversion on BiVO4 nanowires. Nano-Micro Lett. 14, 15 (2022). https://doi.org/10.1007/s40820-021-00749-6
  41. Y. Zhang, Y. Li, X. Xin, Y. Wang, P. Guo et al., Internal quantum efficiency higher than 100% achieved by combining doping and quantum effects for photocatalytic overall water splitting. Nat. Energy 8, 504–514 (2023). https://doi.org/10.1038/s41560-023-01242-7
  42. J. Sheng, Y. He, J. Li, C. Yuan, H. Huang et al., Identification of halogen-associated active sites on bismuth-based perovskite quantum dots for efficient and selective CO2-to-CO Photoreduction. ACS Nano 14, 13103–13114 (2020). https://doi.org/10.1021/acsnano.0c04659
  43. H. Li, C. Cheng, Z. Yang, J. Wei, Encapsulated CdSe/CdS nanorods in double-shelled porous nanocomposites for efficient photocatalytic CO2 reduction. Nat. Commun. 13, 6466 (2022). https://doi.org/10.1038/s41467-022-34263-z
  44. J. Zhou, J. Li, L. Kan, L. Zhang, Q. Huang et al., Linking oxidative and reductive clusters to prepare crystalline porous catalysts for photocatalytic CO2 reduction with H2O. Nat. Commun. 13, 4681 (2022). https://doi.org/10.1038/s41467-022-32449-z
  45. C. Ban, Y. Duan, Y. Wang, J. Ma, K. Wang et al., Isotype heterojunction-boosted CO2 photoreduction to CO. Nano-Micro Lett. 14, 74 (2022). https://doi.org/10.1007/s40820-022-00821-9
  46. L. Ju, X. Tan, X. Mao, Y. Gu, S. Smith et al., Controllable CO2 electrocatalytic reduction via ferroelectric switching on single atom anchored In2Se3 monolayer. Nat. Commun. 12, 5128 (2021). https://doi.org/10.1038/s41467-021-25426-5
  47. Q. Cheng, M. Huang, L. Xiao, S. Mou, X. Zhao et al., Unraveling the influence of oxygen vacancy concentration on electrocatalytic CO2 reduction to formate over indium oxide catalysts. ACS Catal. 13, 4021–4029 (2023). https://doi.org/10.1021/acscatal.2c06228
  48. D. Gao, J. Xu, L. Wang, B. Zhu, H. Yu et al., Optimizing atomic hydrogen desorption of sulfur-rich NiS1+x cocatalyst for boosting photocatalytic H2 evolution. Adv. Mater. 34, 2108475 (2022). https://doi.org/10.1002/adma.202108475
  49. C. Yang, B. Huang, S. Bai, Y. Feng, Q. Shao et al., A generalized surface chalcogenation strategy for boosting the electrochemical N2 fixation of metal nanocrystals. Adv. Mater. 32, 2001267 (2020). https://doi.org/10.1002/adma.202001267
Read More
Author biographies are not available.
Download this PDF file
PDF SUPPLEMENTARY FILE
Statistic
Read Counter : 2618 Download : 1940

Most read articles by the same author(s)