Non-noble metal single-atom catalyst with MXene support: Fe1/Ti2CO2 for CO oxidation

doi:10.1016/S1872-2067(21)64027-5

Chinese Journal of Catalysis ›› 2022, Vol. 43 ›› Issue (7): 1830-1841.DOI: 10.1016/S1872-2067(21)64027-5

• Articles • Previous Articles Next Articles

Non-noble metal single-atom catalyst with MXene support: Fe₁/Ti₂CO₂ for CO oxidation

Chun Zhu^a^,^b, Jin-Xia Liang^a^,^b^,^*(), Yang-Gang Wang^b, Jun Li^b^,^c^,^#()

^aSchool of Chemistry and Chemical Engineering, Guizhou University, Guiyang 550025, Guizhou, China
^bDepartment of Chemistry, Southern University of Science and Technology, Shenzhen 518055, Guangdong, China
^cDepartment of Chemistry, Key Laboratory of Organic Optoelectronics & Molecular Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China

Received:2021-12-12 Accepted:2021-12-30 Online:2022-07-18 Published:2022-05-20
Contact: Jin-Xia Liang, Jun Li
About author:Jun Li (Department of Chemistry, Tsinghua University) was invited to join the 5^th and 6^th Editorial Board of Chin. J. Catal. He received a PhD degree from Chinese Academy of Sciences in 1992 and then did postdoctoral research in Siegen University (Germany) and The Ohio State University (USA) from 1993 to 1997. He then worked as a Research Scientist, Senior Research Scientist, and Chief Scientist at The Ohio State University and Pacific Northwest National Laboratory (USA). He later joined the faculty at Tsinghua University as a ChangJiang Chair Professor. He works in the field of relativistic quantum chemistry, computational catalysis and cluster science, with more than 400 publications and some 40000 citations.
Supported by:
National Science Foundation of China(21963005);National Science Foundation of China(21763006);National Science Foundation of China(22033005);Open Fund of Shaanxi Key Laboratory of Catalysis(SXKLC-2017-01);Guangdong Provincial Key Laboratory of Catalysis(2020B121201002);Guangdong “Pearl River” Talent Plan(2019QN01L353);Natural Science Foundation of Guizhou University([2021]40);Natural Science Foundation of Guizhou University([2020]32)

Abstract

Abstract:

MXenes have attracted considerable attention owing to their versatile and excellent physicochemical properties. Especially, they have potential applications as robust support for single atom catalysts. Here, quantum chemical studies with density functional theory are carried out to systematically investigate the geometries, stability, electronic properties of oxygen functionalized Ti₂C (Ti₂CO₂) supported single-atom catalysts M₁/Ti₂CO₂ (M = Fe, Co, Ni, Cu Ru, Rh, Pd, Ag Os, Ir, Pt, Au). A new non-noble metal SAC Fe₁/Ti₂CO₂ has been found to show excellent catalytic performance for low-temperature CO oxidation after screening the group 8-11 transition metals. We find that O₂ and CO adsorption on Fe₁ atom of Fe₁/Ti₂CO₂is favorable. Accordingly, five possible mechanisms for CO oxidation on this catalyst are evaluated, including Eley-Rideal, Langmuir-Hinshelwood, Mars-van Krevelen, Termolecular Eley-Rideal, and Termolecular Langmuir-Hinshelwood (TLH) mechanisms. Based on the calculated reaction energies for different pathways, Fe₁/Ti₂CO₂ shows excellent kinetics for CO oxidation via TLH mechanism, with distinct low-energy barrier (0.20 eV) for the rate-determining step. These results demonstrate that Fe₁/Ti₂CO₂ MXene is highly promising 2D materials for building robust non-noble metal catalysts.

Key words: Single-atom catalyst, Density functional theory, Ti₂CO₂ MXene, CO oxidation

Chun Zhu, Jin-Xia Liang, Yang-Gang Wang, Jun Li. Non-noble metal single-atom catalyst with MXene support: Fe₁/Ti₂CO₂ for CO oxidation[J]. Chinese Journal of Catalysis, 2022, 43(7): 1830-1841.

×
share this article

Add to citation manager EndNote|Ris|BibTeX

URL: https://www.cjcatal.com/EN/10.1016/S1872-2067(21)64027-5

https://www.cjcatal.com/EN/Y2022/V43/I7/1830

Figures/Tables 14

Fig. 1. Structure configurations and the calculated relative energies of functionalized MXenes with different locations of the surface atoms: top views of I-TiC2O2 (a), II-TiC2O2 (b), and III-TiC2O2 (c) side views of I-TiC2O2 (a1), II-TiC2O2 (b1), and III- TiC2O2 (c1), respectively.

Fig. 2. (a) The calculated binding energies of metal (M) single atoms in each of the most stable SACs of M1/TiC2O2. (b) Side and top views of the optimized geometry of Fe1/Ti2CO2. (c) The TDOS of Fe1/Ti2CO2 and PDOS of Fe 3d (black) and O 2p (red) states. (d) Side and top views of PEDD, yellow and blue refer to an increase and decrease of the electron density, respectively. The Fermi level (EF) is set to zero and isovalue = ±0.006 a.u.

Table 1 The calculated binding energies for metals (M) single atoms located at different sites of the TiC2O2 surfaces of M1/TiC2O2, the Bader charges (|e|) of metals in each of the most stable M1/TiC2O2.

Metal	BE_M (eV)					Bader charge (\|e\|)
Metal	TH_a	TH_b		Top_O		Bader charge (\|e\|)
Fe	-3.60		-2.88		—	0.977
Co	-3.34		-2.80		-1.69	0.872
Ni	-3.05		-2.37		-1.78	0.728
Cu	-1.98		-1.75		-1.48	0.781
Ru	-3.45		-2.19		-1.55	0.668
Rh	-2.69		-2.09		-1.56	0.498
Pd	-1.41		-1.44		-1.23	0.430
Ag	-0.93		-0.90		-0.72	0.709
Os	-3.23		-1.90		—	0.720
Ir	-2.72		-1.83		-1.36	0.401
Pt	-1.78		-1.49		-1.40	0.252
Au	-0.11		-0.11		-0.31	0.342

Fig. 3. (a) The optimized geometry of CO adsorbed on Fe1/Ti2CO2 (top and side view). (b) calculated PEDD, with yellow and blue color referring to an increase and decrease of the electron density, respectively (isovalue = ±0.006 a.u.). (c) PDOS of Fe 3d (black) and C 2p (red) states, with the Fermi level set to zero. O atom (pink) in CO, C atom (light blue) in CO.

Fig. 4. (a) The optimized geometry of O2 adsorbed on Fe1/Ti2CO2 (top and side view). (b) Calculated PEDD, with yellow and blue color referring to an increase and decrease of the electron density, respectively (isovalue = ±0.006 a.u.). (c) PDOS of Fe 3d (black) and O 2p (red) states, with the Fermi level set to zero.

Fig. 5. The optimized geometries of CO and/or O2 molecules co-adsorbed on Fe1/Ti2CO2 (top and side view): (a) for two CO molecules, (b) for two CO molecules, (c) for a CO and an O2 molecule, (d) for CO and O2 molecules, (e) for two CO and an O2 molecule Calculated PEDD, (f) for CO and O2 molecules, with yellow and blue color referring to an increase and decrease of the electron density, respectively (isovalue = ±0.006 a.u.).

Fig. 6. Calculated energy profile and optimized geometries of the intermediates and transition states for formation of the first CO2 catalyzed by Fe1/Ti2CO2 via L-H mechanism, in which the TS is marked with redlines and the relative energies and bond distances are given in eV and Å, respectively.

Fig. 7. Calculated energy profile and optimized geometries of the intermediates and transition states for the formation of the second CO2 catalyzed by Fe1/Ti2CO2 via L-H mechanism, in which the TS is marked with redlines and the relative energies and bond distances are in eV and Å, respectively.

Fig. 8. Calculated energy profile and optimized geometries of the intermediates and transition states for the formation of the first CO2 catalyzed by Fe1/Ti2CO2 via E-R mechanism, where the TS is marked with redlines and the relative energies and bond distances are in eV and Å, respectively.

Fig. 9. Calculated energy profile and optimized geometries of the intermediates and transition states for the formation of the second CO2 catalyzed by Fe1/Ti2CO2 via E-R mechanism, where the TS is marked with redlines and the relative energies and bond distances are in eV and Å, respectively.

Fig. 10. Calculated energy profile and optimized geometries of the intermediates and transition states for the formation of the first CO2 catalyzed by Fe1/Ti2CO2 via MvK mechanism, where the TS is marked with redlines and the relative energies and bond distances are in eV and Å, respectively.

Fig. 11. Calculated energy profile and optimized geometries of the corresponding stationary points for CO oxidation catalyzed by Fe1/Ti2CO2 via the TER step mechanism, where the TS is marked with redlines and the relative energies and bond distances are in eV and Å, respectively.

Fig. 12. Calculated energy profile and optimized geometries of the intermediates and transition statesfor CO oxidation catalyzed by Fe1/Ti2CO2 via TLH mechanism, where the TS is marked with redlines and the relative energies and bond distances are in eV and Å, respectively.

Fig. 13. Calculated Bader charges of Fe1 SAs, the adsorbed O2 and C atoms of CO for CO oxidation in the structures of elementary steps in TLH mechanism.

References

[1]	B. Qiao, A. Wang, X. Yang, L. F. Allard, Z. Jiang, Y. Cui, J. Liu, J. Li, T. Zhang, Nat. Chem., 2011, 3, 634-641.
[2]	X.-F. Yang, A. Wang, B. Qiao, J. Li, J. Liu, T. Zhang, Acc. Chem. Res., 2013, 46, 1740-1748.
[3]	A. Wang, J. Li, T. Zhang, Nat. Rev. Chem., 2018, 2, 65-81.
[4]	H.-Y. Zhuo, X. Zhang, J.-X. Liang, Q. Yu, H. Xiao, J. Li, Chem. Rev., 2020, 120, 12315-12341.
[5]	J.-C. Liu, Y. Tang, Y.-G. Wang, T. Zhang, J. Li, Natl. Sci. Rev., 2018, 5, 638-641.
[6]	Y.-G. Wang, D. Mei, V.-A. Glezakou, J. Li, R. Rousseau, Nat. Commun., 2015, 6, 6511.
[7]	X.-L. Ma, J.-C. Liu, H. Xiao, J. Li, J. Am. Chem. Soc., 2018, 140, 46-49.
[8]	J.-C. Liu, X.-L. Ma, Y. Li, Y.-G. Wang, H. Xiao, J. Li, Nat. Commun., 2018, 9, 1610.
[9]	J. Li, Y. Li, T. Zhang, Sci. China Mater., 2020, 63, 889-891.
[10]	H. Zhang, S. Fang, Y. H. Hu, Catal. Rev. Sci. Eng., 2020, 1-42.
[11]	J. Li, M. F. Stephanopoulos, Y. Xia, Chem. Rev., 2020, 120, 11699-11702.
[12]	L. Zhang, Y. Ren, W. Liu, A. Wang, T. Zhang, Natl. Sci. Rev., 2018, 5, 653-672.
[13]	J. Yang, W. Li, D. Wang, Y. Li, Small Struct., 2021, 2, 2000051.
[14]	R. Lang, X. Du, Y. Huang, X. Jiang, Q. Zhang, Y. Guo, K. Liu, B. Qiao, A. Wang, T. Zhang, Chem. Rev., 2020, 120, 11986-12043.
[15]	Y. Wang, J. Mao, X. Meng, L. Yu, D. Deng, X. Bao, Chem. Rev., 2019, 119, 1806-1854.
[16]	Z. Li, S. Ji, Y. Liu, X. Cao, S. Tian, Y. Chen, Z. Niu, Y. Li, Chem. Rev., 2020, 120, 623-682.
[17]	C. Gao, J. Low, R. Long, T. Kong, J. Zhu, Y. Xiong, Chem. Rev., 2020, 120, 12175-12216.
[18]	R. Qin, K. Liu, Q. Wu, N. Zheng, Chem. Rev., 2020, 120, 11810-11899.
[19]	S. Ji, Y. Chen, X. Wang, Z. Zhang, D. Wang, Y. Li, Chem. Rev., 2020, 120, 11900-11955.
[20]	N. Cheng, L. Zhang, K. Doyle-Davis, X. Sun, Electrochem. Energy Rev., 2019, 2, 539-573.
[21]	J.-F. Sun, Q.-Q. Xu, J.-L. Qi, D. Zhou, H.-Y. Zhu, J.-Z. Yin, ACS Sustain. Chem. Eng., 2020, 8, 14630-14656.
[22]	F. Chen, X. Jiang, L. Zhang, R. Lang, B. Qiao, Chin. J. Catal., 2018, 39, 893-898.
[23]	J. Li, J. Liu, T. Zhang, Chin. J. Catal., 2017, 38, 1431-1431.
[24]	S. Ren, Q. Yu, X. Yu, P. Rong, L. Jiang, J. Jiang, Sci. China Mater., 2020, 63, 903-920.
[25]	C. W. B. Bezerra, L. Zhang, K. Lee, H. Liu, A. L. B. Marques, E. P. Marques, H. Wang, J. Zhang, Electrochim. Acta, 2008, 53, 4937-4951.
[26]	B. Bayatsarmadi, Y. Zheng, A. Vasileff, S.-Z. Qiao, Small, 2017, 13, 1700191.
[27]	T. Sharifi, E. Gracia-Espino, A. Chen, G. Hu, T. Wågberg, Adv. Energy Mater., 2020, 10, 1902084.
[28]	L. Liu, A. Corma, Chem. Rev., 2018, 118, 4981-5079.
[29]	C. Zhu, S. Fu, Q. Shi, D. Du, Y. Lin, Angew. Chem. Int. Ed., 2017, 56, 13944-13960.
[30]	J.-X. Liang, Y.-G. Wang, X.-F. Yang, D.-H. Xing, A.-Q. Wang, T. Zhang, J. Li, In Encyclopedia of Inorganic and Bioinorganic Chemistry, John Wiley & Sons, Ltd., New York, 2017, 1-11.
[31]	D. Zhao, Z. Zhuang, X. Cao, C. Zhang, Q. Peng, C. Chen, Y. Li, Chem. Soc. Rev., 2020, 49, 2215-2264.
[32]	D. Liu, Q. He, S. Ding, L. Song, Adv. Energy Mater., 2020, 10, 2001482.
[33]	D. Zhou, L. Zhang, X. Liu, H. Qi, Q. Liu, J. Yang, Y. Su, J. Ma, J. Yin, A. Wang, Nano Res., 2022, 15, 519-527.
[34]	Y. Wang, W. H. Zhang, D. H. Deng, X. H. Bao, Chin. J. Catal., 2017, 38, 1443-1453.
[35]	Y. Meng, J.-X. Liang, C. Zhu, C.-Q. Xu, J. Li, Sci. China Mater., 2021, DOI: 10.1007/s40843-021-1950-0.
[36]	H. Oschinski, A. Morales-Garcia, F. Illas, J. Phys. Chem. C, 2021, 125, 2477-2484.
[37]	J.-X. Liang, J. Lin, J. Liu, X. Wang, T. Zhang, J. Li, Angew. Chem. Int. Ed., 2020, 59, 12868-12875.
[38]	J. Liang, Q. Yu, X. Yang, T. Zhang, J. Li, Nano Res., 2018, 11, 1599-1611.
[39]	J. Liang, X. Yang, C. Xu, T. Zhang, J. Li, Chin. J. Catal., 2017, 38, 1566-1573.
[40]	J.-X. Liang, X.-F. Yang, A. Wang, T. Zhang, J. Li, Catal. Sci. Technol., 2016, 6, 6886-6892.
[41]	G. Nie, P. Li, J.-X. Liang, C. Zhu, J. Theor. Comput. Chem., 2017, 16, 1750013.
[42]	S. H. Talib, X. Yu, Q. Yu, S. Baskaran, J. Li, Sci. China Mater., 2020, 63, 1003-1014.
[43]	S. H. Talib, S. Baskaran, X. Yu, Q. Yu, B. Bashir, S. Muhammad, S. Hussain, X. Chen, J. Li, Sci. China Mater., 2021, 64, 651-663.
[44]	W. Liu, L. Zhang, W. Yan, X. Liu, X. Yang, S. Miao, W. Wang, A. Wang, T. Zhang, Chem. Sci., 2016, 7, 5758-5764.
[45]	J. Guan, Z. Duan, F. Zhang, S. D. Kelly, R. Si, M. Dupuis, Q. Huang, J. Q. Chen, C. Tang, C. Li, Nat. Catal., 2018, 1, 870-877.
[46]	J. Lin, A. Wang, B. Qiao, X. Liu, X. Yang, X. Wang, J. Liang, J. Li, J. Liu, T. Zhang, J. Am. Chem. Soc., 2013, 135, 15314-15317.
[47]	S. Tang, X. Zhou, T. Liu, S. Zhang, T. Yang, Y. Luo, E. Sharman, J. Jiang, J. Mater. Chem. A, 2019, 7, 26261-26265.
[48]	X. Li, A.-E. Surkus, J. Rabeah, M. Anwar, S. Dastigir, H. Junge, A. Brückner, M. Beller, Angew. Chem. Int. Ed., 2020, 59, 15849-15854.
[49]	X. Cao, Y. Ji, Y. Luo, J. Phys. Chem. C, 2015, 119, 1016-1023.
[50]	H.-Y. Zhuo, X. Yu, Q. Yu, H. Xiao, X. Zhang, J. Li, Sci. China Mater., 2020, 63, 1741-1749.
[51]	X.-K. Gu, B. Qiao, C.-Q. Huang, W.-C. Ding, K. Sun, E. Zhan, T. Zhang, J. Liu, W.-X. Li, ACS Catal., 2014, 4, 3886-3890.
[52]	R. Lang, T. Li, D. Matsumura, S. Miao, Y. Ren, Y.-T. Cui, Y. Tan, B. Qiao, L. Li, A. Wang, X. Wang, T. Zhang, Angew. Chem. Int. Ed., 2016, 55, 16054-16058.
[53]	B. Qiao, J.-X. Liang, A. Wang, C.-Q. Xu, J. Li, T. Zhang, J. J. Liu, Nano Res., 2015, 8, 2913-2924.
[54]	X. Guo, G. Fang, G. Li, H. Ma, H. Fan, L. Yu, C. Ma, X. Wu, D. Deng, M. Wei, D. Tan, R. Si, S. Zhang, J. Li, L. Sun, Z. Tang, X. Pan, X. Bao, Science, 2014, 344, 616-619.
[55]	W. Liu, W. Hu, L. Yang, J. Liu, Nano Energy, 2020, 73, 104750.
[56]	Y. Lu, H. Wang, P. Yu, Y. Yuan, R. Shahbazian-Yassar, Y. Sheng, S. Wu, W. Tu, G. Liu, M. Kraft, R. Xu, Nano Energy, 2020, 77, 105158.
[57]	H. Xu, D. Cheng, D. Cao, X. C. Zeng, Nat. Catal., 2018, 1, 339-348.
[58]	J.-C. Liu, H. Xiao, J. Li, J. Am. Chem. Soc., 2020, 142, 3375-3383.
[59]	W. Liu, L. Zhang, X. Liu, X. Liu, X. Yang, S. Miao, W. Wang, A. Wang, T. Zhang, J. Am. Chem. Soc., 2017, 139, 10790-10798.
[60]	H. Fei, J. Dong, Y. Feng, C. S. Allen, C. Wan, B. Volosskiy, M. Li, Z. Zhao, Y. Wang, H. Sun, P. An, W. Chen, Z. Guo, C. Lee, D. Chen, I. Shakir, M. Liu, T. Hu, Y. Li, A. I. Kirkland, X. Duan, Y. Huang, Nat. Catal., 2018, 1, 63-72.
[61]	X. Zhang, Z. Lu, Z. Yang, J. Mol. Catal. A, 2016, 417, 28-35.
[62]	T. Li, F. Liu, Y. Tang, L. Li, S. Miao, Y. Su, J. Zhang, J. Huang, H. Sun, M. Haruta, A. Wang, B. Qiao, J. Li, T. Zhang, Angew. Chem. Int. Ed., 2018, 57, 7795-7799.
[63]	W. Liu, Y. Chen, H. Qi, L. Zhang, W. Yan, X. Liu, X. Yang, S. Miao, W. Wang, C. Liu, A. Wang, J. Li, T. Zhang, Angew. Chem. Int. Ed., 2018, 57, 7071-7075.
[64]	Y. Pan, R. Lin, Y. Chen, S. Liu, W. Zhu, X. Cao, W. Chen, K. Wu, W.-C. Cheong, Y. Wang, L. Zheng, J. Luo, Y. Lin, Y. Liu, C. Liu, J. Li, Q. Lu, X. Chen, D. Wang, Q. Peng, C. Chen, Y. Li, J. Am. Chem. Soc., 2018, 140, 4218-4221.
[65]	Y. Ren, Y. Tang, L. Zhang, X. Liu, L. Li, S. Miao, D. S. Su, A. Wang, J. Li, T. Zhang, Nat. Commun., 2019, 10, 4500.
[66]	Y. Pan, Y. Chen, K. Wu, Z. Chen, S. Liu, X. Cao, W.-C. Cheong, T. Meng, J. Luo, L. Zheng, C. Liu, D. Wang, Q. Peng, J. Li, C. Chen, Nat. Commun., 2019, 10, 4290.
[67]	K. Harrath, X. Yu, H. Xiao, J. Li, ACS Catal., 2019, 9, 8903-8909.
[68]	R. Lang, W. Xi, J.-C. Liu, Y.-T. Cui, T. Li, A. F. Lee, F. Chen, Y. Chen, L. Li, L. Li, J. Lin, S. Miao, X. Liu, A.-Q. Wang, X. Wang, J. Luo, B. Qiao, J. Li, T. Zhang, Nat. Commun., 2019, 10, 234.
[69]	S. H. Talib, S. Hussain, S. Baskaran, Z. Lu, J. Li, ACS Catal., 2020, 10, 11951-11961.
[70]	Y. Liu, J.-C. Liu, T.-H. Li, Z.-H. Duan, T.-Y. Zhang, M. Yan, W.-L. Li, H. Xiao, Y.-G. Wang, C.-R. Chang, J. Li, Angew. Chem. Int. Ed., 2020, 59, 18586-18590.
[71]	Z. Li, Y. Chen, S. Ji, Y. Tang, W. Chen, A. Li, J. Zhao, Y. Xiong, Y. Wu, Y. Gong, T. Yao, W. Liu, L. Zheng, J. Dong, Y. Wang, Z. Zhuang, W. Xing, C.-T. He, C. Peng, W.-C. Cheong, Q. Li, M. Zhang, Z. Chen, N. Fu, X. Gao, W. Zhu, J. Wan, J. Zhang, L. Gu, S. Wei, P. Hu, J. Luo, J. Li, C. Chen, Q. Peng, X. Duan, Y. Huang, X.-M. Chen, D. Wang, Y. Li, Nat. Chem., 2020, 12, 764-772.
[72]	X. Zhou, K. Li, Y. Lin, L. Song, J. Liu, Y. Liu, L. Zhang, Z. Wu, S. Song, J. Li, H. Zhang, Angew. Chem. Int. Ed., 2020, 59, 13568-13574.
[73]	K. Liu, Y. Tang, Z. Yu, B. Ge, G. Ren, Y. Ren, Y. Su, J. Zhang, X. Sun, Z. Chen, X. Liu, B. Qiao, W.-Z. Li, A. Wang, J. Li, Sci. China Mater., 2020, 63, 949-958.
[74]	Z. Chen, Y. Chen, S. Chao, X. Dong, W. Chen, J. Luo, C. Liu, D. Wang, C. Chen, W. Li, J. Li, Y. Li, ACS Catal., 2020, 10, 1865-1870.
[75]	M. Zhou, M. Yang, X. Yang, X. Zhao, L. Sun, W. Deng, A. Wang, J. Li, T. Zhang, Chin. J. Catal., 2020, 41, 524-532.
[76]	S. Zhang, L. Nguyen, J.-X. Liang, J. Shan, J. Liu, A. I. Frenkel, A. Patlolla, W. Huang, J. Li, F. Tao, Nat. Commun., 2015, 6, 7938.
[77]	J.-C. Liu, Y.-G. Wang, J. Li, J. Am. Chem. Soc., 2017, 139, 6190-6199.
[78]	D.-H. Xing, C.-Q. Xu, Y.-G. Wang, J. Li, J. Phys. Chem. C, 2019, 123, 10494-10500.
[79]	Y.-J. Chen, H.-Y. Zhuo, Y. Pan, J.-X. Liang, C.-G. Liu, J. Li, Sci. China Mater., 2021, 64, 1939-1951.
[80]	J. H. Zhou, G. L. Liu, Q. G. Jiang, W. N. Zhao, Z. M. Ao, T. C. An, Chin. J. Catal., 2020, 41, 1633-1644.
[81]	Y. Tang, Y. G. Wang, J. X.Liang, J. Li, Chin. J. Catal., 2017, 38, 1558-1565.
[82]	M. X. Zhou, M. Yang, X. F. Yang, X. C. Zhao, L. Sun, W. Q. Deng, A. Q. Wang, J. Li, T. Zhang, Chin. J. Catal., 2020, 41, 524-532.
[83]	Y. Wang, X. Huang, Z. D. Wei, Chin. J. Catal., 2021, 42, 1269-1286.
[84]	B. Han, R. Lang, H. Tang, J. Xu, X.-K. Gu, B. Qiao, J. Liu, Chin. J. Catal., 2019, 40, 1847-1853.
[85]	X.-Q. Gong, Z.-P. Liu, R. Raval, P. Hu, J. Am. Chem. Soc., 2004, 126, 8-9.
[86]	T. Bunluesin, H. Cordatos, R. J. Gorte, J. Catal., 1995, 157, 222-226.
[87]	A. Alavi, P. Hu, T. Deutsch, P. L. Silvestrelli, J. Hutter, Phys. Rev. Lett., 1998, 80, 3650-3653.
[88]	B. Qiao, J.-X. Liang, A. Wang, J. Liu, T. Zhang, Chin. J. Catal., 2016, 37, 1580-1586.
[89]	B. Qiao, J. Lin, A. Wang, Y. Chen, T. Zhang, J. Liu, Chin. J. Catal., 2015, 36, 1505-1511.
[90]	B. Long, Y. Tang, J. Li, Nano Res., 2016, 9, 3868-3880.
[91]	H. R. Byon, J. Suntivich, Y. Shao-Horn, Chem. Mater., 2011, 23, 3421-3428.
[92]	F. Gao, D. W. Goodman, Annu. Rev. Phys. Chem., 2012, 63, 265-286.
[93]	Z. Cai, P. Du, W. Liang, H. Zhang, P. Wu, C. Cai, Z. Yan, J. Mater. Chem. A, 2020, 8, 15012-15022.
[94]	C. Zhu, J.-X. Liang, Y. Meng, J. Lin, Z. Cao, Chin. J. Catal., 2021, 42, 1030-1039.
[95]	Y. Huang, T. Yang, L. Yang, R. Liu, G. Zhang, J. Jiang, Y. Luo, P. Lian, S. Tang, J. Mater. Chem. A, 2019, 7, 15173-15180.
[96]	Y. Min, X. Zhou, J.-J. Chen, W. Chen, F. Zhou, Z. Wang, J. Yang, C. Xiong, Y. Wang, F. Li, H.-Q. Yu, Y. Wu, Nat. Commun., 2021, 12, 303.
[97]	D. Ma, Z. Zeng, L. Liu, X. Huang, Y. Jia, J. Phys. Chem. C, 2019, 123, 19066-19076.
[98]	X. Zhang, J. Lei, D. Wu, X. Zhao, Y. Jing, Z. Zhou, J. Mater. Chem. A, 2016, 4, 4871-4876.
[99]	M. Naguib, M. Kurtoglu, V. Presser, J. Lu, J. Niu, M. Heon, L. Hultman, Y. Gogotsi, M. W. Barsoum, Adv. Mater., 2011, 23, 4248-4253.
[100]	M. Naguib, J. Come, B. Dyatkin, V. Presser, P.-L. Taberna, P. Simon, M. W. Barsoum, Y. Gogotsi, Electrochem. Commun., 2012, 16, 61-64.
[101]	I. R. Shein, A. L. Ivanovskii, Comput. Mater. Sci., 2012, 65, 104-114.
[102]	M. Naguib, V. N. Mochalin, M. W. Barsoum, Y. Gogotsi, Adv. Mater., 2014, 26, 992-1005.
[103]	V. Kamysbayev, A. S. Filatov, H. Hu, X. Rui, F. Lagunas, D. Wang, R. F. Klie, D. V. Talapin, Science, 2020, 369, 979-983.
[104]	Z. Kang, M. A. Khan, Y. Gong, R. Javed, Y. Xu, D. Ye, H. Zhao, J. Zhang, J. Mater. Chem. A, 2021, 9, 6089-6108.
[105]	M. M. Hasan, M. M. Hossain, H. K. Chowdhury, J. Mater. Chem. A, 2021, 9, 3231-3269.
[106]	K. N. Li, S. S. Zhang, Y. H. Li, J. J. Fan, K. L. Lv, Chin. J. Catal., 2021, 42, 3-14.
[107]	Z. J. Deng, X. Q. Zheng, M. M. Deng, L. Li, L. Jing, Z. D. Wei, Chin. J. Catal., 2021, 42, 1659-1666.
[108]	J. L. Qu, J. W. Xiao, H. T. Chen, X. P. Liu, T. S. Wang, Q. F. Zhang, Chin. J. Catal., 2021, 42, 288-296.
[109]	Y. Gao, H. Zhuo, Y. Cao, X. Sun, G. Zhuang, S. Deng, X. Zhong, Z. Wei, J. Wang, Chin. J. Catal., 2019, 40, 152-159.
[110]	Q. Peng, J. Zhou, J. Chen, T. Zhang, Z. Sun, J. Mater. Chem. A, 2019, 7, 26062-26070.
[111]	D. Zhao, Z. Chen, W. Yang, S. Liu, X. Zhang, Y. Yu, W.-C. Cheong, L. Zheng, F. Ren, G. Ying, X. Cao, D. Wang, Q. Peng, G. Wang, C. Chen, J. Am. Chem. Soc., 2019, 141, 4086-4093.
[112]	Z. Chen, S. Huang, B. Huang, M. Wan, N. Zhou, Appl. Surf. Sci., 2020, 509, 145319.
[113]	J. Zhu, E. Ha, G. Zhao, Y. Zhou, D. Huang, G. Yue, L. Hu, N. Sun, Y. Wang, L. Y. S. Lee, C. Xu, K.-Y. Wong, D. Astruc, P. Zhao, Coord. Chem. Rev., 2017, 352, 306-327.
[114]	J. Zhang, Y. Zhao, X. Guo, C. Chen, C.-L. Dong, R.-S. Liu, C.-P. Han, Y. Li, Y. Gogotsi, G. Wang, Nat. Catal., 2018, 1, 985-992.
[115]	C. Cheng, X. Zhang, M. Wang, S. Wang, Z. Yang, Phys. Chem. Chem. Phys., 2018, 20, 3504-3513.
[116]	K. A. Papadopoulou, A. Chroneos, D. Parfitt, S.-R. G. Christopoulos, J. Appl. Phys., 2020, 128, 170902.
[117]	Y. Xie, M. Naguib, V. N. Mochalin, M. W. Barsoum, Y. Gogotsi, X. Yu, K.-W. Nam, X.-Q. Yang, A. I. Kolesnikov, P. R. C. Kent, J. Am. Chem. Soc., 2014, 136, 6385-6394.
[118]	D. Widmann, R. J. Behm, Angew. Chem. Int. Ed., 2011, 50, 10241-10245.
[119]	V. M. Pinchuk, E. S. Kotlyarova, N. V. Parkhomenko, P. N. Tsybulev, J. Struct. Chem., 1996, 37, 544-556.
[120]	O. Lopez-Acevedo, K. A. Kacprzak, J. Akola, H. Häkkinen, Nat. Chem., 2010, 2, 329-334.
[121]	Y. Wang, G. Wu, M. Yang, J. Wang, J. Phys. Chem. C, 2013, 117, 8767-8773.
[122]	G. Kresse, J. Hafner, Phys. Rev. B, 1993, 47, 558-561.
[123]	G. Kresse, D. Joubert, Phys. Rev. B, 1999, 59, 1758-1775.
[124]	G. Henkelman, H. Jonsson, J. Chem. Phys., 1999, 111, 7010-7022.
[125]	J. Su, S. X. Hu, W. Huang, M. Zhou, J. Li, Sci. China Chem., 2016, 59, 442-451.

Non-noble metal single-atom catalyst with MXene support: Fe₁/Ti₂CO₂ for CO oxidation

RichHTML

PDF (PC)

Knowledge

Supporting Information

Abstract

Cite this article

share this article

share this article

Figures/Tables 14

References

Related Articles 15

Recommended Articles

Metrics

[1]	Xiaolong Tang, Feng Li, Fang Li, Yanbin Jiang, Changlin Yu. Single-atom catalysts for the photocatalytic and electrocatalytic synthesis of hydrogen peroxide [J]. Chinese Journal of Catalysis, 2023, 52(9): 79-98.
[2]	Jin-Nian Hu, Ling-Chan Tian, Haiyan Wang, Yang Meng, Jin-Xia Liang, Chun Zhu, Jun Li. Theoretical screening of single-atom electrocatalysts of MXene-supported 3d-metals for efficient nitrogen reduction [J]. Chinese Journal of Catalysis, 2023, 52(9): 252-262.
[3]	Sikai Wang, Xiang-Ting Min, Botao Qiao, Ning Yan, Tao Zhang. Single-atom catalysts: In search of the holy grails in catalysis [J]. Chinese Journal of Catalysis, 2023, 52(9): 1-13.
[4]	Lei Zhao, Zhen Zhang, Zhaozhao Zhu, Pingbo Li, Jinxia Jiang, Tingting Yang, Pei Xiong, Xuguang An, Xiaobin Niu, Xueqiang Qi, Jun Song Chen, Rui Wu. Integration of atomic Co-N₅ sites with defective N-doped carbon for efficient zinc-air batteries [J]. Chinese Journal of Catalysis, 2023, 51(8): 216-224.
[5]	Lu Cheng, Xuning Chen, P. Hu, Xiao-Ming Cao. Advantages and limitations of hydrogen peroxide for direct oxidation of methane to methanol at mono-copper active sites in Cu-exchanged zeolites [J]. Chinese Journal of Catalysis, 2023, 51(8): 135-144.
[6]	Zhaochun Liu, Xue Zong, Dionisios G. Vlachos, Ivo A. W. Filot, Emiel J. M. Hensen. A computational study of electrochemical CO₂ reduction to formic acid on metal-doped SnO₂ [J]. Chinese Journal of Catalysis, 2023, 50(7): 249-259.
[7]	Shipeng Geng, Liming Chen, Haixin Chen, Yi Wang, Zhao-Bin Ding, Dandan Cai, Shuqin Song. Revealing the electrocatalytic mechanism of layered crystalline CoMoO₄ for water splitting: A theoretical study from facet selecting to active site engineering [J]. Chinese Journal of Catalysis, 2023, 50(7): 334-342.
[8]	Run Jiang, Zelong Qiao, Haoxiang Xu, Dapeng Cao. Defect engineering of Fe-N-C single-atom catalysts for oxygen reduction reaction [J]. Chinese Journal of Catalysis, 2023, 48(5): 224-234.
[9]	Zheng-Qing Huang, Shu-Yue He, Tao Ban, Xin Gao, Yun-Hua Xu, Chun-Ran Chang. Mechanistic and microkinetic study of nonoxidative coupling of methane on Pt-Cu alloy catalysts: From single-atom sites to single-cluster sites [J]. Chinese Journal of Catalysis, 2023, 48(5): 90-100.
[10]	Huijuan Jing, Jun Long, Huan Li, Xiaoyan Fu, Jianping Xiao. Computational insights on potential dependence of electrocatalytic synthesis of ammonia from nitrate [J]. Chinese Journal of Catalysis, 2023, 48(5): 205-213.
[11]	Zhiyue Zhao, Zhiwei Jiang, Yizhe Huang, Mebrouka Boubeche, Valentina G. Matveeva, Hector F. Garces, Huixia Luo, Kai Yan. Facile synthesis of CoSi alloy catalysts with rich vacancies for base- and solvent-free aerobic oxidation of aromatic alcohols [J]. Chinese Journal of Catalysis, 2023, 48(5): 175-184.
[12]	Sue-Faye Ng, Xingzhu Chen, Joel Jie Foo, Mo Xiong, Wee-Jun Ong. 2D carbon nitrides: Regulating non-metal boron-doped C₃N₅ for elucidating the mechanism of wide pH range photocatalytic hydrogen evolution reaction [J]. Chinese Journal of Catalysis, 2023, 47(4): 150-160.
[13]	Chengcheng Chen, Fangting Liu, Qiaoyu Zhang, Zhengguo Zhang, Qiong Liu, Xiaoming Fang. Theoretical design and experimental study of pyridine-incorporated polymeric carbon nitride with an optimal structure for boosting photocatalytic CO₂ reduction [J]. Chinese Journal of Catalysis, 2023, 46(3): 91-102.
[14]	Chao Nie, Xiangdong Long, Qi Liu, Jia Wang, Fei Zhan, Zelun Zhao, Jiong Li, Yongjie Xi, Fuwei Li. Facile fabrication of atomically dispersed Ru-P-Ru ensembles for efficient hydrogenations beyond isolated single atoms [J]. Chinese Journal of Catalysis, 2023, 45(2): 107-119.
[15]	Tingting Jiang, Weiwei Xie, Shipeng Geng, Ruchun Li, Shuqin Song, Yi Wang. Constructing oxygen vacancy-regulated cobalt molybdate nanoflakes for efficient oxygen evolution reaction catalysis [J]. Chinese Journal of Catalysis, 2022, 43(9): 2434-2442.