Single-atom catalysts on two-dimensional (2D) materials for photocatalytic CO2 reduction: Fundamentals, design, and emerging strategies

doi:10.1016/S1872-2067(26)65135-2

Chinese Journal of Catalysis ›› 2026, Vol. 88: 86-128.DOI: 10.1016/S1872-2067(26)65135-2

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Single-atom catalysts on two-dimensional (2D) materials for photocatalytic CO₂ reduction: Fundamentals, design, and emerging strategies

Sathi Chatterjee^a, Hongmei Li^a, Kang Liu^a, Zhang Lin^b, Liyuan Chai^b, Min Liu^a^,^b^,^*()

^a Hunan Joint International Research Center for Carbon Dioxide Resource Utilization, School of Physics, Central South University, Changsha 410083, Hunan, China
^b School of Metallurgy and Environment, Central South University, Changsha 410083, Hunan, China

Received:2025-12-22 Accepted:2026-02-28 Online:2026-09-18 Published:2026-09-05
About author:Min Liu (Central South University) received his PhD (2010) degree from the Institute of Electrical Engineering, Chinese Academy of Sciences. In 2010-2015, he worked in University of Tokyo as a postdoctoral fellow with the guidance of Prof. Kazuhito Hashimoto and Prof. Kazunari Domen. In 2015-2017, he joined the University of Toronto as a postdoctoral fellow under the guidance of Prof. Edward Sargent. Since 2017, he is a professor in Central South University. His research interests focus on greenhouse gas reduction and energy catalysis, including the resource utilization of perfluorocarbon, electrocatalytic CO₂ reduction, and photo(electro)chemical water splitting. He got a number of over 300 publications on Nature, Nat Catal, Nat Commun, Joule, J. Am. Chem. Soc., Angew. Chem. Int. Ed., Adv. Mater. Nano Lett., et al, with citations of over 40000 and H-factor of 101. The research results have been highlighted by Science Daily, Science news, Phys.org, Forbes and other media. Based on these researches, he was awarded as a highly cited researcher by Clarivate Analytics from 2020 to 2024.
Supported by:
The National Key R&D Program of China(2024YFC3712104);The National Science and Technology Major Project of China(2025ZD1204304);The Foundation for Innovative Research Groups of the National Natural Science Foundation of China(52121004);The National Natural Science Foundation of China(G22376222);The National Natural Science Foundation of China(22403108);The Science and Technology Innovation Program of Hunan Province(2023RC1012);The Natural Science Foundation of Hunan Province(2024JJ6484);The Central South University Research Programme of Advanced Interdisciplinary Studies(2023QYJC012)

Abstract

Abstract:

The rapid increase of the concentration of atmospheric CO₂ and the imperative for solar-fuel generation highlight the urgent need for advanced catalytic materials. Single-atom catalysts (SACs) anchored on two-dimensional (2D) materials present a powerful approach by combining atomically isolated active sites with tunable coordination environments, defect chemistry, and enhanced charge-transport pathways intrinsic to 2D supports. This review explores SAC/2D systems for photocatalytic CO₂ reduction, beginning with the fundamental thermodynamics and kinetics of CO₂ activation, multielectron proton-coupled transfer, hydrogen-evolution competition and C₁ vs. C₂⁺ product selectivity. Then, it covers synthesis strategies for anchoring atomically dispersed metal sites on 2D supports, and discusses advanced characterization techniques‒including atomic-scale imaging, operando coordination spectroscopy and time-resolved carrier-dynamics measurements; that link structure and photocatalytic function. Photocatalytic performance trends across carbon-based, metal-oxide and emerging 2D supports are analysed to illustrate how planar confinement, support polarity, interfacial coupling, and charge-carrier behaviour regulate activity, selectivity, and stability. Further, a unified design framework is established, and three framework-guided design strategies i.e., heteronuclear dual-atom sites, heterostructure interfaces and internal-field/polarization engineering, are highlighted as promising strategy to overcome several intrinsic and scale-up challenges i.e., single atom instability, low multicarbon (C₂⁺) selectivity and rapid recombination. Finally, by aligning mechanistic insight with material design and pointing toward reproducible high-loading synthesis and device-oriented configurations (e.g., thin-films, flow-reactors), the review outlines a pathway toward selective, stable and scalable SAC/2D photocatalyst systems for solar-driven CO₂ reduction.

Key words: Photocatalytic CO₂ reduction, single-atom catalysts, 2D materials, Solar fuel generation, C₂₊ selectivity

Sathi Chatterjee, Hongmei Li, Kang Liu, Zhang Lin, Liyuan Chai, Min Liu. Single-atom catalysts on two-dimensional (2D) materials for photocatalytic CO₂ reduction: Fundamentals, design, and emerging strategies[J]. Chinese Journal of Catalysis, 2026, 88: 86-128.

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Figures/Tables 26

Fig. 1. Outline diagram of the review.

Fig. 2. Photocatalytic CO2 reduction mechanism on SAC/2D photocatalysts.

Fig. 3. Representative reaction pathways for photocatalytic CO2 reduction showing key intermediates and routes leading to C1 and C2 products. Reproduced from Ref. [14]. Copyright 2022, The Authors. Published by American Chemical Society under the Creative Commons CC BY 4.0 license.

Fig. 4. Band edge (CBM and VBM) alignments related to vacuum for various M@2DPI systems (M = La, Ti, Y, Mn, V, Sc, Hf, Zr) from HSE06+SOC calculations. Reproduced from Ref. [88]. Copyright 2023, The Authors. Published by Elsevier B.V. Licensed under CC BY.

Fig. 5. Wet Chemical synthesis of high-loading MSAPs-PuCN (M = Fe, Co, Ni, Cu, Zn, Sr, W, Pt). Reproduced from Ref. [102]. Copyright 2023, The Authors. Published by Springer Nature. Licensed under CC BY.

Fig. 7. Atomic layer deposition (ALD) synthesis of Co single atom catalysts on graphene (Co1/G). Reproduced from Ref. [111]. Copyright 2018, The Authors. Published by Springer Nature. Licensed under CC BY.

Fig. 8. Schematic diagram of (a) 2D CeO2 supported atomic Pt catalysts prepared using the precursor combustion strategy. Reproduced from Ref. [105] with permission. Copyright 2024, John Wiley and Sons and (b) Ni loading on g-C3N4 synthesized via high-energy ball milling method. Reproduced from Ref. [115] with permission. Copyright 2022, Elsevier.

Fig. 9. (a) HAADF-STEM image of Fe single atoms on Ti3−xC2Ty (Fe atoms marked with red circles). (b) Magnified atomic-resolution HAADF-STEM image. (c) Intensity profiles of selected regions. Reproduced from Ref. [118] with permission. Copyright 2024, The Royal Society of Chemistry. (d,e) Filtered atomic-resolution HAADF-STEM color maps of Aun/Au1-CMS. Reproduced from Ref. [50] with permission. Copyright 2024, Springer Nature. (f) AC-HAADF-STEM image of Pt1@CN. Reproduced from Ref. [72] with permission. Copyright 2024, Elsevier.

Fig. 10. (a) HRTEM image and SAED pattern for Aun/Au1-CMS. Reproduced from Ref. [50] with permission. Copyright 2024, Springer Nature. (b) HRTEM image of Pd/Co3O4. Reproduced from Ref. [120] with permission. Copyright 2024, John Wiley and Sons. (c,d) HRTEM image of Cu-PCN. Reproduced from Ref. [121] with permission. Copyright 2024, American Chemical Society.

Fig. 11. (a) Diffusion of single Ni atom on graphene edge region. (b,f) High-speed STM images. (c,g) Laplace filtered images. (d,h) Constant-height STM simulation based on geometries (e,i). Reproduced from Ref. [123] with permission. Copyright 2018, The American Association for the Advancement of Science.

Fig. 12. (a) EDX map of Pt-SA-decorated TiO2 layer. Reproduced from Ref. [124]. Copyright 2020, The Authors. Published by Wiley Advanced. under the Creative Commons CC BY. (b) Element mapping results of Co-Ti3C2Tx (MXene) nanosheets. Reproduced from Ref. [37] with permission. Copyright 2021, Elsevier. (c,d) EDX elemental mapping profiles with W (green), Cu (orange), Pt (yellow), and O (blue) distribution of the Cu2Pt2/WO3 catalyst. Reproduced from Ref. [125] with permission. Copyright 2022, Elsevier.

Fig. 13. (a) Synchrotron radiation Cu K-edge XANES. (b) XAFS Bi L1-edge. (c) EXAFS spectra of Bi L1-edge. Reproduced from Ref. [128] with permission. Copyright 2022, John Wiley and Sons. (d) XANES and (e) FT-EXAFS curves at Ni K-edge. Reproduced from Ref. [129] with permission. Copyright 2021, Elsevier. (f) Co K-edge XANES spectra, (g) Fourier transform magnitudes of the experimental Co K-edge EXAFS spectra of BP-Co and reference samples. Reproduced from Ref. [130] with permission. Copyright 2020, John Wiley and Sons.

Fig. 14. High-resolution XPS spectra for the Cu/TiO2-2/24 h and Cu/TiO2-2 of Cu 2p region (a) and O 1s (b) region. Reproduced from Ref. [132]. Copyright 2019, The Authors. Published by John Wiley and Sons under the Creative Commons CC BY 4.0 license. High-resolution N 1s XPS spectra of COF-Py and COF-Py-Co (c), COF-Pz and COF-Pz-Co (d). (e) High-resolution Co 2p XPS spectra of COF-Py-Co and COF-Pz-Co. Reproduce from Ref. [133] with permission. Copyright 2025, Elsevier, (f) High-resolution XPS spectrum of N 1s in the ICN-16. Reproduced from Ref. [134] with permission. Copyright 2023, John Wiley and Sons. (g) Elemental content of Co-N-Gr obtained from XPS and ICP-AES measurements, and high-resolution N 1s XPS spectrum (inset) divided into five Voigt-type line-shaped peaks. (h) Schematic model of Co-N-Gr, including C (black), N (green), and Co (yellow) atoms. Reproduced from Ref. [135]. Copyright 2020, The Authors. Published by American Chemical Society under the Creative Commons CC BY 4.0 license.

Fig. 15. (a-c) HAADF images of a 2D Co3O4-supported La single-atom catalyst, where Co3O4 nanocrystallites are indicated by yellow arrows and isolated La atoms by red arrows; the corresponding EELS spectrum was acquired from a single supported La atom. Reproduced from Ref. [137] with permission. Copyright 2020, Oxford University Press, Comparison of conventional and DED STEM-EELS mapping for FeReNC. HAADF image (d) and conventional EELS map (e) of the Fe-L2,3 edge showing no distinct localization above the noise level, whereas HAADF image (f) and DED EELS map (g) clearly resolves individual Fe atomic sites. (h,i) Atomic positions obtained from HAADF and DED EELS confirm the presence and absence of the Fe-L2,3 edge at Fe and non-Fe sites, respectively. Reproduced from Ref. [138] with permission. Copyright 2023, Elsevier.

Fig. 16. (a) FTIR spectra of GO, Mn-NGO 10 and Mn-NGO 30. Reproduced from Ref. [140] with permission. Copyright 2023, Elsevier. (b) g-C3N4 and Co/ g-C3N4-0.2. Reproduced from Ref. [141] with permission. Copyright 2021, Elsevier.

Fig. 17. (a) In-situ DRIFT spectra recorded during the photocatalytic CO2 reduction over the Cu2+/GDYO nanosheets. Reproduced from Ref. [144] with permission. Copyright 2021, John Wiley and Sons. (b) In-situ DRIFTS detection of PdSA+NCs/CeO2. Reproduced from Ref. [145] with permission. Copyright 2025, American Chemical Society.

Fig. 19. (a) Time-resolved fluorescence decay spectra of Ru single atoms on a mesoporous carbon nitride network (RuSA-mC3N4). Adapted from Ref. [147] with permission. (b) TRPL spectra of Cu-O/N single sites incorporated into a COF. Adapted from Ref. [150] with permission.

Fig. 21. Calculated Bader charge distribution at the Ru NP/GO interface (a) and at the Ru SA/GONa interface (b), highlighting the interfacial charge transfer characteristics. (c) Spatial representation of the HOMO and LUMO orbital distributions for the Ru SA/GONa configuration. Reproduced from Ref. [154] with permission. Copyright 2023, Elsevier.

Fig. 22. (a) Evolved gas amount during photocatalytic CO2 reduction. (b) Corresponding CO2 photoreduction rate. (c) Control experiments under various reaction conditions. (d) Cycling performance. (e) Stability evaluation. (f) Proposed reaction mechanism for CO2 photoreduction in the O/La-C3N4 system. Reproduced from Ref. [34] with permission. Copyright 2020, American Chemical Society. (g) Photocatalytic CO2 reduction activity of Cs3Bi2Br9 and Co-NG under varied conditions (presence or absence of light, catalyst, and CO2 atmosphere). (h) CO generation rates of Cs3Bi2Br9 and Cs3Bi2Br9/xCo-NG composites (x = 1, 3, 5, 7). (i) Cycling stability of Cs3Bi2Br9/5Co-NG over ten consecutive 4-h photocatalytic runs. Reproduced from Ref. [163] with permission. Copyright 2024, Elsevier.

Fig. 20. (a) Power-law decay fitting (ITAS∝(t-t0)-β) for bCN, Co-bCN, and IL/bCN under an N2/H2O vapor atmosphere, excited at 355 nm and monitored at 900 nm. (b) In-situ μsTAS spectra of IL/Co-bCN recorded in N2/H2O and CO2/H2O vapor environments under 355 nm excitation. (c) Correlation between electron transfer rates (ETRs) and ionic liquid loading on IL/bCN (black circles) and IL/Co-bCN (red squares), where rate constants are derived from the linear fit slope and background rates from the intercept. Reproduced from Ref. [77]. Copyright 2023, The Authors. Published by Springer Nature under the Creative Commons CC BY.

Fig. 23. (a) Comparison between the photocatalytic CO2 reduction performances of TiO2 and TiO2-Bi. (b) Variation in the amount of CO and CH4 during the 14 h-long test process. (c) Schematic of the CO2 reduction process. Reproduced from Ref. [166] with permission. Copyright 2018, Springer Nature. Photocatalytic CO2 reduction performance in acetonitrile aqueous solution. (d) Photocatalytic product evolution as a function of light irradiation times on Cu-Ti-Vo/Ti0.91O2-SL. Product formation rates (e) and electron-based selectivity (f) on Ti0.91O2-SL, Cu-O/Ti0.91O2-SL, and Cu-Ti-Vo/Ti0.91O2-SL. (Error bars indicate standard deviations.). Reproduced from Ref. [155]. Copyright 2023, The Author (s). Published by Springer Nature Licensed under CC BY. Performance of photocatalytic CO2 reduction. (g) Photocatalytic activity of the different catalysts. (h) Cycling tests of CH3COOH yield for 3%Cu/WO3, in which the error bars represent the standard deviations of five independent measurements. (i) Proposed PCR mechanism on the catalyst surface. Reproduced from Ref. [167] with permission. Copyright 2022, Elsevier.

Fig. 24. (a) Comparison of CO and H2 generation by nanosheet (CON) and bulk (COF) forms of Co-FPy-COF, Co-Py-COF, and Co-Bp-COF under visible light (λ > 420 nm, 300 W Xe lamp) using Ir[dF(CF3)ppy]2(dtbpy)PF6 as a photosensitizer. (b) CO turnover numbers for Co-FPy-CON versus molecular Co(Bpy) complexes under identical conditions. (c) 13CO detection from 13CO2 reduction using Co-FPy-CON, confirmed by mass spectrometry (inset: GC trace). (d) Recyclability of Co-FPy-CON shown via repeated CO and H2 evolution over multiple 2-h cycles with photosensitizer added after each run. Reproduced from Ref. [172] with permission. Copyright 2020, American Chemical Society. (e) Proposed photocatalytic CO2 reduction mechanism on the surface of Fe1/Ti3-xC?Ty MXene. Reproduced from Ref. [118] with permission. Copyright 2024, The Royal Society of Chemistry. (f) Comparative CO and H2 production profiles under different photocatalytic systems, highlighting the enhanced CO yield of the [Ru(bpy)3]Cl2/Te NS-ACS system. (g) Recyclability test over four consecutive cycles. (h) GC-MS analysis confirming 13CO as the product from 13CO2 reduction. (i) Schematic of the proposed CO2 photoreduction pathway over Te NS-ACS. Reproduced from Ref. [174] with permission. Copyright 2020, John Wiley and Sons.

Table 1 Summary of the photocatalytic CO2 reduction performance across various 2D supports anchored on single-atom catalysts.

2D support			SAC with loading wt%		Mode of reaction	Light source		Product yield (C₁ vs. C₂⁺) (μmol g⁻¹ h⁻¹)		Selectivity (%)		Quantum efficiency	Year of publication
Carbon-based	g-C₃N₄		La single atom (1.65 wt%)		solid-liquid (MeCN/H₂O + TEOA)	300 W Xe lamp (simulated solar light)		CO: 92 CH₄: 5.6 (C₁)		CO: 80.3		—	2020 [34]
	g-C₃N₄		Fe single atom + K⁺ (‒)		solid-liquid (0.075 mol L^-1 KOH solution)	300 W Xe lamp		CO: 20.00 CH₄: 0.32 (C₁)		CO: 100		2.86% (at 450 nm)	2022 [161]
	g-C₃N₄		Thulium (1 wt%)		solid-liquid (aqueous CO₂ suspension)	300 W Xe lamp (λ > 420 nm)		CO: 132.4 CH₄: 6.2 (C₁)		CO: 95.6		3.21% (at 420 nm)	2024 [162]
	g-C₃N₄		In^δ⁺-N₄ single atoms (‒)		gas-solid (no sacrificial agent)	300 W Xe lamp		CO: 398.87 (C₁)		CO ≈ 100		0.21% (AQE at 420 nm)	2023 [134]
	g-C₃N₄		Co (≈ 2.5 wt%)		solid-liquid (MeCN/H₂O + TEOA)	300 W Xe lamp (λ > 420 nm)		CO: 394.4 (C₁)		CO ≈ 81		—	2022 [160]
	porous g-C₃N₄ nanosheet		Pt (0.519 wt%)		gas-solid (H₂O vapor as reductant)	300 W Xe lamp		CO: 84.8; CH₄: ~0 (C₁)		CO ≈ 100		1.35% (at 400 nm)	2024 [72]
	crystalline g-C₃N₄ nanorods		Cu (‒)		gas-solid (CO₂ + H₂O vapor; no sacrificial agent)	300 W Xe lamp		CO: 3.086; CH₄: trace (C₁)		CO ≈ 100		—	2020 [32]
	ultrathin g-C₃N₄ nanosheets		Co (≈ 0.5 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (UV-vis)		CO: 40.5; CH₄: 6.3 (C₁)		100		AQY 1.00% @405 nm	2023 [77]
	g-C₃N₄		Pd (≈ 1.9 wt%)		Gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (λ > 385 nm)		CH₄: 20.3; CO: 0.8 (C₁)		CH₄:97.8		AQY 2.93% @385 nm	2022 [149]
	porous g-C₃N₄ nanosheets		Co (24.6 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp		CH₃OH: 235.5; CO: 2.9; CH₄: 3.4 (C₁); C₂H₄: 1.1; C₃H₆: 1.4; CH₃OCH₃: 3.3 (C₂)		CH₃OH ≈ 96.2		—	2022 [141]
	g-C₃N₄ nanosheets		Cu (0.24 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (1000 mW cm⁻²)		CO: 18.88 (C₁)		CO ≈ 100		AQE 0.0974% @365 nm; 0.0046% @420 nm	2024 [121]
	g-C₃N₄ nanosheets		Ni (≈ 0.7 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (UV-vis)		CO: 22.1; CH₄: 8.7 (C₁)		≈ 100		‒	2021 [33]
	g-C₃N₄ nanosheets		Sm (1.30 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (visible light, λ > 420 nm)		CO: 44.27 (C₁)		CO: 96.8		AQY 2.64% @420 nm	2025 [94]
	g-C₃N₄		Au (‒)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (visible light, λ > 420 nm)		CO: 8.68; CH₄: 0.96 (C₁)		—		—	2020 [99]
	g-C₃N₄		Fe (1.4 wt%)		solid-liquid suspension (CO₂in H₂O; no sacrificial agent/photosensitizer)	300 W Xe lamp		CO: 5.1 (C₁)		—		—	2021 [100]
	graphene		Co (‒)		gas-solid (CO₂ + H₂O vapor	300 W Xe lamp (200 mW cm⁻²)		CO: 123.16 (C₁)		CO: 100		—	2024 [163]
	partially oxidized graphene nanosheets		Co (‒)		homogeneous -heterogeneous hybrid system [Ru(bpy)₃]²⁺ as photosensitizer)	300 W Xe lamp (visible light, λ > 420 nm)		— (reported as TON = 678; TOF = 3.77 min^-1; CO only): (C₁)		CO: 100		—	2018 [31]
Metal oxide-based	TiO₂ nanosheets	Cu (‒)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W Xe lamp	CO: 1.6 (C₁)		—		—		2019 [132]
	TiO₂ nanosheets	Bi (‒)		Gas-solid (CO₂ + H₂O)		300 W Xe lamp	CH₄: 10.94; CO: 0.46		—		—		2017 [166]
	Ti_0.91O₂single layer nanosheets	Cu (0.29 wt%)		Solid-liquid (CO₂-saturated acetonitrile: H₂O = 5:1)		300 W Xe lamp (λ > 420 nm)	CO: 18.6 (C₁); C₂H₄: 7.6; C₃H₈: 13.8 (C₂⁺)		C₃H₈: 64.88;86.2 (total C₂⁺)		QE: 0.48% @385 nm; 0.15% @415 nm; 0.06% @520 nm		2023 [155]
	h′-H_xWO₃nanosheets	Cu (3 wt%)		Solid-liquid (CO₂ + H₂O; no organic solvent)		300 W Xe lamp	CH₃COOH: 2.87 (C₂⁺)		CH₃COOH ≈ 67		—		2023 [167]
	ZrO₂ nanosheets	Ni (5 wt%)		Gas-solid (CO₂ + H₂O vapor; no solvent)		300 W Xe lamp (Light intensity: 5.0 W cm⁻²)	CO: 11.8 (C₁)		CO: 92.5		AQE 0.92% @365 nm; 0.36% @420 nm		2022 [106]
	CeO₂nanosheets	Pd (‒)		—		—	CH₄: 41.6 (C₁)		CH₄ ≈ 100		—		2022 [168]
	Nb₂O₅ nanosheets	Pd (1.54 wt%)		Gas-solid (CO₂+ H₂O vapor) reaction system		300 W xenon lamp (100 mW cm⁻²)	CO: 13.2; CH₄: 5.86 (C₁); CH₃COOH: 13.5; C₂H₄: 1.75 (C₂⁺)		—		AQY≈ 0.06% and 0.009% @350 nm		2025 [169]
	Amorphous In₂O₃ nanosheets	Cu (~12.2 atom %)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W Xe lamp (full spectrum)	C₂H₆O: 798.7 (C₂⁺); CH₄: 4.1 (C₁)		C₂H₆O: 99.5		0.17% (ethanol)		2023 [170]
	CO₃O₄	Pd (‒)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W xenon lamp (100 mW cm⁻²)	CH₃COOH: 13.4 (C₂⁺)		CH₃COOH≈100		—		2024 [120]
Emerging-based	COF	Mo (‒)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W Xe lamp (λ ≥ 420 nm)	CO: 6.19; CH₄: 1.08 (C₁); C₂H₄: 3.57 (C₂⁺)		CO: 57.12; CH₄: 9.96; C₂H₄: 32.92		—		2021 [171]
	COF nanosheets	Co (2.1 wt%)		Liquid-phase		300 W Xe lamp (λ > 420 nm)	CO: 1.68 (C₁)		CO: 76		6.6% @420 nm		2020 [172]
	MOF nanosheets	Co (6.0 wt%)		Liquid-phase (aqueous, with [Ru(bpy)₃]Cl₂ photosensitizer and ascorbic acid sacrificial agent)		300 W Xe lamp (λ > 420 nm)	CO: 7041 (C₁)		CO: 86		—		2023 [173]
	Ti_3-xC₂T_y MXene nanosheets	Fe (3.7 wt%)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W Xe lamp	CO: 259.0; CH₄: 38.8 (C₁)		—		—		2024 [118]
	Bi₃O₄Br	Co (1 wt%)		Gas-solid (CO₂ + H₂O; no sacrificial agent or photosensitizer)		300 W Xe lamp	CO: 107.1 (C₁)		—		—		2019 [92]
	BP nanosheets	Co		Liquid-phase ([Ru(bpy)₃]²⁺photosensitizer)		300 W Xe lamp	CO: 88.6 (C₁)		CO: 59.2		—		2020 [130]
	Te nanosheets	Co		Gas-solid ([Ru(bpy)₃]Cl₂ as the photosensitizer)		300 W Xe lamp (λ > 420 nm)	CO: 52.3 (C₁)		—		—		2020 [174]

Table 1 Summary of the photocatalytic CO2 reduction performance across various 2D supports anchored on single-atom catalysts.

2D support			SAC with loading wt%		Mode of reaction	Light source		Product yield (C₁ vs. C₂⁺) (μmol g⁻¹ h⁻¹)		Selectivity (%)		Quantum efficiency	Year of publication
Carbon-based	g-C₃N₄		La single atom (1.65 wt%)		solid-liquid (MeCN/H₂O + TEOA)	300 W Xe lamp (simulated solar light)		CO: 92 CH₄: 5.6 (C₁)		CO: 80.3		—	2020 [34]
	g-C₃N₄		Fe single atom + K⁺ (‒)		solid-liquid (0.075 mol L^-1 KOH solution)	300 W Xe lamp		CO: 20.00 CH₄: 0.32 (C₁)		CO: 100		2.86% (at 450 nm)	2022 [161]
	g-C₃N₄		Thulium (1 wt%)		solid-liquid (aqueous CO₂ suspension)	300 W Xe lamp (λ > 420 nm)		CO: 132.4 CH₄: 6.2 (C₁)		CO: 95.6		3.21% (at 420 nm)	2024 [162]
	g-C₃N₄		In^δ⁺-N₄ single atoms (‒)		gas-solid (no sacrificial agent)	300 W Xe lamp		CO: 398.87 (C₁)		CO ≈ 100		0.21% (AQE at 420 nm)	2023 [134]
	g-C₃N₄		Co (≈ 2.5 wt%)		solid-liquid (MeCN/H₂O + TEOA)	300 W Xe lamp (λ > 420 nm)		CO: 394.4 (C₁)		CO ≈ 81		—	2022 [160]
	porous g-C₃N₄ nanosheet		Pt (0.519 wt%)		gas-solid (H₂O vapor as reductant)	300 W Xe lamp		CO: 84.8; CH₄: ~0 (C₁)		CO ≈ 100		1.35% (at 400 nm)	2024 [72]
	crystalline g-C₃N₄ nanorods		Cu (‒)		gas-solid (CO₂ + H₂O vapor; no sacrificial agent)	300 W Xe lamp		CO: 3.086; CH₄: trace (C₁)		CO ≈ 100		—	2020 [32]
	ultrathin g-C₃N₄ nanosheets		Co (≈ 0.5 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (UV-vis)		CO: 40.5; CH₄: 6.3 (C₁)		100		AQY 1.00% @405 nm	2023 [77]
	g-C₃N₄		Pd (≈ 1.9 wt%)		Gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (λ > 385 nm)		CH₄: 20.3; CO: 0.8 (C₁)		CH₄:97.8		AQY 2.93% @385 nm	2022 [149]
	porous g-C₃N₄ nanosheets		Co (24.6 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp		CH₃OH: 235.5; CO: 2.9; CH₄: 3.4 (C₁); C₂H₄: 1.1; C₃H₆: 1.4; CH₃OCH₃: 3.3 (C₂)		CH₃OH ≈ 96.2		—	2022 [141]
	g-C₃N₄ nanosheets		Cu (0.24 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (1000 mW cm⁻²)		CO: 18.88 (C₁)		CO ≈ 100		AQE 0.0974% @365 nm; 0.0046% @420 nm	2024 [121]
	g-C₃N₄ nanosheets		Ni (≈ 0.7 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (UV-vis)		CO: 22.1; CH₄: 8.7 (C₁)		≈ 100		‒	2021 [33]
	g-C₃N₄ nanosheets		Sm (1.30 wt%)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (visible light, λ > 420 nm)		CO: 44.27 (C₁)		CO: 96.8		AQY 2.64% @420 nm	2025 [94]
	g-C₃N₄		Au (‒)		gas-solid (CO₂ + H₂O vapor, no sacrificial agent)	300 W Xe lamp (visible light, λ > 420 nm)		CO: 8.68; CH₄: 0.96 (C₁)		—		—	2020 [99]
	g-C₃N₄		Fe (1.4 wt%)		solid-liquid suspension (CO₂in H₂O; no sacrificial agent/photosensitizer)	300 W Xe lamp		CO: 5.1 (C₁)		—		—	2021 [100]
	graphene		Co (‒)		gas-solid (CO₂ + H₂O vapor	300 W Xe lamp (200 mW cm⁻²)		CO: 123.16 (C₁)		CO: 100		—	2024 [163]
	partially oxidized graphene nanosheets		Co (‒)		homogeneous -heterogeneous hybrid system [Ru(bpy)₃]²⁺ as photosensitizer)	300 W Xe lamp (visible light, λ > 420 nm)		— (reported as TON = 678; TOF = 3.77 min^-1; CO only): (C₁)		CO: 100		—	2018 [31]
Metal oxide-based	TiO₂ nanosheets	Cu (‒)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W Xe lamp	CO: 1.6 (C₁)		—		—		2019 [132]
	TiO₂ nanosheets	Bi (‒)		Gas-solid (CO₂ + H₂O)		300 W Xe lamp	CH₄: 10.94; CO: 0.46		—		—		2017 [166]
	Ti_0.91O₂single layer nanosheets	Cu (0.29 wt%)		Solid-liquid (CO₂-saturated acetonitrile: H₂O = 5:1)		300 W Xe lamp (λ > 420 nm)	CO: 18.6 (C₁); C₂H₄: 7.6; C₃H₈: 13.8 (C₂⁺)		C₃H₈: 64.88;86.2 (total C₂⁺)		QE: 0.48% @385 nm; 0.15% @415 nm; 0.06% @520 nm		2023 [155]
	h′-H_xWO₃nanosheets	Cu (3 wt%)		Solid-liquid (CO₂ + H₂O; no organic solvent)		300 W Xe lamp	CH₃COOH: 2.87 (C₂⁺)		CH₃COOH ≈ 67		—		2023 [167]
	ZrO₂ nanosheets	Ni (5 wt%)		Gas-solid (CO₂ + H₂O vapor; no solvent)		300 W Xe lamp (Light intensity: 5.0 W cm⁻²)	CO: 11.8 (C₁)		CO: 92.5		AQE 0.92% @365 nm; 0.36% @420 nm		2022 [106]
	CeO₂nanosheets	Pd (‒)		—		—	CH₄: 41.6 (C₁)		CH₄ ≈ 100		—		2022 [168]
	Nb₂O₅ nanosheets	Pd (1.54 wt%)		Gas-solid (CO₂+ H₂O vapor) reaction system		300 W xenon lamp (100 mW cm⁻²)	CO: 13.2; CH₄: 5.86 (C₁); CH₃COOH: 13.5; C₂H₄: 1.75 (C₂⁺)		—		AQY≈ 0.06% and 0.009% @350 nm		2025 [169]
	Amorphous In₂O₃ nanosheets	Cu (~12.2 atom %)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W Xe lamp (full spectrum)	C₂H₆O: 798.7 (C₂⁺); CH₄: 4.1 (C₁)		C₂H₆O: 99.5		0.17% (ethanol)		2023 [170]
	CO₃O₄	Pd (‒)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W xenon lamp (100 mW cm⁻²)	CH₃COOH: 13.4 (C₂⁺)		CH₃COOH≈100		—		2024 [120]
Emerging-based	COF	Mo (‒)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W Xe lamp (λ ≥ 420 nm)	CO: 6.19; CH₄: 1.08 (C₁); C₂H₄: 3.57 (C₂⁺)		CO: 57.12; CH₄: 9.96; C₂H₄: 32.92		—		2021 [171]
	COF nanosheets	Co (2.1 wt%)		Liquid-phase		300 W Xe lamp (λ > 420 nm)	CO: 1.68 (C₁)		CO: 76		6.6% @420 nm		2020 [172]
	MOF nanosheets	Co (6.0 wt%)		Liquid-phase (aqueous, with [Ru(bpy)₃]Cl₂ photosensitizer and ascorbic acid sacrificial agent)		300 W Xe lamp (λ > 420 nm)	CO: 7041 (C₁)		CO: 86		—		2023 [173]
	Ti_3-xC₂T_y MXene nanosheets	Fe (3.7 wt%)		Gas-solid (CO₂ + H₂O vapor; no sacrificial agent)		300 W Xe lamp	CO: 259.0; CH₄: 38.8 (C₁)		—		—		2024 [118]
	Bi₃O₄Br	Co (1 wt%)		Gas-solid (CO₂ + H₂O; no sacrificial agent or photosensitizer)		300 W Xe lamp	CO: 107.1 (C₁)		—		—		2019 [92]
	BP nanosheets	Co		Liquid-phase ([Ru(bpy)₃]²⁺photosensitizer)		300 W Xe lamp	CO: 88.6 (C₁)		CO: 59.2		—		2020 [130]
	Te nanosheets	Co		Gas-solid ([Ru(bpy)₃]Cl₂ as the photosensitizer)		300 W Xe lamp (λ > 420 nm)	CO: 52.3 (C₁)		—		—		2020 [174]

Fig. 25. Overview of challenges and engineering strategies for SAC/2D in photocatalytic CO2 reduction.

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Single-atom catalysts on two-dimensional (2D) materials for photocatalytic CO₂ reduction: Fundamentals, design, and emerging strategies

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