Citation: Ming-Yang LI, Jia-Yu LI, Miao-Miao WU, Xiao-Lin WANG. First-principles Study on the Properties of CaO(100) Surface Adsorbing Carbon Dioxide[J]. Chinese Journal of Structural Chemistry, ;2021, 40(8): 973-984. doi: 10.14102/j.cnki.0254–5861.2011–3072 shu

First-principles Study on the Properties of CaO(100) Surface Adsorbing Carbon Dioxide

a.
Department of Materials Science and Engineering, China University of Mining and Technology (Beijing), Beijing 100083, China
b.
Center on Nanoenergy Research, Guangxi Key Laboratory of Processing for Nonferous Metal and Featured Materials, Guangxi Key Laboratory for Relativity Astrophysics, School of Physical Science & Technology, Guangxi University, Nanning 530004, China
c.
Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084, China

Corresponding author: Miao-Miao WU, miaomwu@cumtb.edu.cn
Received Date: 21 December 2020
Accepted Date: 6 April 2021

Fund Project: the National Key Research and Development Program of China 2017YFB0601904National Natural Science Foundation of China 11404395The Fundamental Research Funds for the Central Universities 2013QJ01

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The increasing carbon dioxide emissions have a huge impact on the global environment. Carbonation reaction of CaO is regarded as a potential method to capture carbon dioxide. The density functional theory calculations have been performed to investigate the adsorption of CO₂ on CaO(100) surface. This paper systematically studied the adsorption of CO₂ at different adsorption sites on CaO(100) surface and the influence of adsorption angle on adsorption energy. Based on the studying of adsorption sites, adsorption energy and electronic structure of the CO₂/CaO(100) systems, chemical adsorption mainly happens when CO₂ molecules are absorbed on the CaO(100) surfaces, but physical adsorption may also happen. The research found that CO₂ molecules reacted with surface O atom through C, forming monodentate surface carbonate species and tridentate carbonate. Among them, low-coordinated monodentate ligands have a higher stability than tridentate ligands due to the shorter C–O_S bond length of monodentate ligands.
- density functional theory,
- CO₂ adsorption,
- surface chemistry,
- CaO(100) surface,
- mono-dentate ligands
1. [1]
  Guiot, J.; Cramer, W. Climate change: the 2015 Paris agreement thresholds and Mediterranean basin ecosystems. Science 2016, 354, 465−468. doi: 10.1126/science.aah5015
2. [2]
  Wei, J.; Ge, Q.; Yao, R.; Wen, Z.; Fang, C.; Guo, L.; Xu, H.; Sun, J. Directly converting CO₂ into a gasoline fuel. Nat. Commun. 2017, 8, 15174. doi: 10.1038/ncomms15174
3. [3]
  Groenigen, K.; Qi, X.; Osenberg, C. W.; Luo, Y.; Hungate, B. A. Faster decomposition under increased atmospheric CO₂ limits soil carbon storage. Science 2014, 344, 508−519. doi: 10.1126/science.1249534
4. [4]
  Michl, J. Photochemical CO₂ reduction: towards an artificial leaf. Nat. Chem. 2011, 3, 268−269. doi: 10.1038/nchem.1021
5. [5]
  Balaraman, E.; Gunanathan, C.; Zhang, J.; Shimon, L.; Milstein, D. Efficient hydrogenation of organic carbonates, carbamates and formates indicates alternative routes to methanol based on CO₂ and CO. Nat. Chem. 2011, 3, 609−614. doi: 10.1038/nchem.1089
6. [6]
  Richardson, R. D.; Holland, E. J.; Carpenter, B. K. A renewable amine for photochemical reduction of CO₂. Nat. Chem. 2011, 3, 301−310. doi: 10.1038/nchem.1000
7. [7]
  Meng, X.; Wang, T.; Liu, L.; Ouyang, S. X.; Ye, J. H. Photothermal conversion of CO₂ into CH₄ with H₂ over group VIII nanocatalysts: an alternative approach for solar fuel production. Angew. Chem. Int. Ed. 2014, 126, 11478−11482.
8. [8]
  Chueh, W. C.; Falter, C.; Abbott, M.; Scipio, D.; Furler, P.; Haile, S. M.; Steinfeld, A. High-flux solar-driven thermochemical dissociation of CO₂ and H₂O using nonstoichiometric ceria. Science 2015, 42, 1797−1801.
9. [9]
  Ahlers, S. J.; Bentrup, U.; Linke, D.; Kondratenko, E. V. An innovative approach for highly selective direct conversion of CO₂ into propanol using C₂H₄ and H₂. Chemsuschem. 2014, 7, 2631−2639. doi: 10.1002/cssc.201402212
10. [10]
  Bi, Q. Y.; Lin, J. D.; Liu, Y. M.; Xie, S. H.; He, H. Y.; Cao, Y. Partially reduced iridium oxide clusters dispersed on titania as efficient catalysts for facile synthesis of dimethylformamide from CO₂, H₂ and dimethylamine. Chem. Commun. 2014, 50, 9138−9140. doi: 10.1039/C4CC02973A
11. [11]
  Liu, X. H.; Ma, J. G.; Niu, Z.; Yang, G.; Cheng, P. An efficient nanoscale heterogeneous catalyst for the capture and conversion of carbon dioxide at ambient pressure. Angew. Chem. Int. Ed. 2015, 54, 988−991. doi: 10.1002/anie.201409103
12. [12]
  Angamuthu, R.; Byers, P.; Lutz, M.; Spek, A. L.; Bouwman, E. Electrocatalytic CO₂ conversion to oxalate by a copper complex. Science 2010, 327, 313−315. doi: 10.1126/science.1177981
13. [13]
  Yaumi, A. L.; Bakar, M. Z.; Hameed, B. H. Recent advances in functionalized composite solid materials for carbon dioxide capture. Energy 2017, 124, 461−480. doi: 10.1016/j.energy.2017.02.053
14. [14]
  Manovic, V.; Anthony, E. J. Thermal activation of CaO-based sorbent and self-reactivation during CO₂ capture looping cycles. Environ. Sci. Technol. 2008, 42, 4170−4174. doi: 10.1021/es800152s
15. [15]
  Eric, B.; Gontrand, L.; Cornelius, S. Corrigendum to: "the decrease of carbonation efficiency of CaO along calcination-carbonation cycles: experiments and modelling". Chem. Eng. Sci. 2010, 64, 2136−2146.
16. [16]
  Pacchioni, G.; Ricart, J. M.; Illas, F. Ab initio cluster model calculations on the chemisorption of CO₂ and SO₂ probe molecules on MgO and CaO (100) surfaces. A theoretical measure of oxide basicity. J. Am. Chem. Soc. 1994, 116, 10152−10158. doi: 10.1021/ja00101a038
17. [17]
  Karlsen, E. J.; Nygren, M. A.; Pettersson, L. G. M. Comparative study on structures and energetics of NO_x, SO_x, and CO_x adsorption on alkaline-earth-metal oxides. J. Phys. Chem. B 2003, 107, 7795−7802. doi: 10.1021/jp0346716
18. [18]
  Schneider, W. F. Qualitative differences in the adsorption chemistry of acidic (CO₂, SO_x) and amphiphilic (NOx) species on the alkaline earth oxides. J. Phys. Chem. B 2015, 108, 273−282.
19. [19]
  Jensen, M. B.; Pettersson, L. G.; Swang, O.; Olsbye, U. CO₂ sorption on MgO and CaO surfaces: a comparative quantum chemical cluster study. J. Phys. Chem. B 2005, 109, 16774−16781. doi: 10.1021/jp052037h
20. [20]
  And, E. K.; Burghaus, U. Adsorption kinetics and dynamics of CO, NO, and CO₂ on reduced CaO (100). J. Phys. Chem. C 2008, 112, 7390−7400. doi: 10.1021/jp800755q
21. [21]
  Voigts, F.; Bebensee, F.; Dahle, S.; Volgmann, K.; Maus-Friedrichs, W. The adsorption of CO₂, and CO on Ca and CaO films studied with MIES, UPS and XPS. Sur. Sci. 2009, 603, 40−49. doi: 10.1016/j.susc.2008.10.016
22. [22]
  Besson, R.; Vargas, M, R.; Favergeon, L. CO₂, adsorption on calcium oxide: an atomic-scale simulation study. Sur. Sci. 2012, 606, 490−495. doi: 10.1016/j.susc.2011.11.016
23. [23]
  Zhang, Y.; Hu, J. M.; Cao, Q. Z.; Cao, Q. Z.; Qiu, M.; Yi, L.; Huang, X.; Zhang, Y. F. Density functional theory studies on the adsorption of CO₂ on different CaO surfaces. Chin. J. Struct. Chem. 2013, 32, 1715−1723.
24. [24]
  Zhao, B. F.; Wang, J. W.; Zhu, D.; Song, G.; Yang, H. J.; Chen, L.; Sun, L. Z.; Yang, S. X.; Guan, H. B.; Xie, X. P. Adsorption characteristics of gas molecules (H₂O, CO₂, CO, CH₄, and H₂) on CaO-based catalysts during biomass thermal conversion with in situ CO₂ capture. Catalysts 2019, 9, 757−766. doi: 10.3390/catal9090757
25. [25]
  Wang, W. J.; Fan, L. L.; Wang, G. P.; Li, Y. H. CO₂ and SO₂ sorption on the alkali metals doped CaO(100) surface: a DFT-D study. Appl. Surf. Sci. 2017, 425, 972−977. doi: 10.1016/j.apsusc.2017.07.158
26. [26]
  Hammami, R.; Dhouib, A.; Fernandez, S.; Minot, C. CO₂ adsorption on (001) surfaces of metal monoxides with rock-salt structure. Catal. Today 2008, 139, 227−233. doi: 10.1016/j.cattod.2008.08.036
27. [27]
  Kresse, G.; Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comp. Mat. Sci. 1996, 6, 15−50. doi: 10.1016/0927-0256(96)00008-0
28. [28]
  Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 1999, 59, 1758−1775.
29. [29]
  Blöchl, P. E. Projector augmented-wave method. Phys. Rev. B. Condens. Matter. 1994, 50, 17953−17979. doi: 10.1103/PhysRevB.50.17953
30. [30]
  Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; Fiolhais, C. Erratum: atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys. Rev. B. Condens. Matter. 1993, 46, 6671−6687.
31. [31]
  Skorodumova, N. V.; Hermansson, K.; Johansson, B. Structural and electronic properties of the (100) surface and bulk of alkaline-earth metal oxides. Phys. Rev. B. Condens. Matter. 2005, 72, 1254141−1254147.
32. [32]
  Broqvist, P.; Grönbeck, H.; Panas, I. Surface properties of alkaline earth metal oxides. Sur. Sci. 2004, 554, 262−271. doi: 10.1016/j.susc.2004.02.014
33. [33]
  Bajdich, M.; NØrskov, J. K.; Vojvodic, A. Surface energetics of alkaline-earth metal oxides: trends in stability and adsorption of small molecules. Eprint. Arxiv. 2015, 91, 1−10.
34. [34]
  Cornu, D.; Guesmi, H.; Krafft, J. M.; Lauron-Pernot, H. Lewis acido-basic interactions between CO₂ and MgO surface: DFT and DRIFT approaches. J. Phys. Chem. C 2012, 116, 6645–6654.
35. [35]
  Huygh, S.; Bogaerts, A.; Neyts, E. C. How oxygen vacancies activate CO₂ dissociation on TiO₂ anatase (001). Conserv. Physiol. 2015, 3, 151−157.
36. [36]
  Sun, Z.; Wang, J.; Du, W.; Lu, G. M.; Li, P.; Song, X. F.; Yu, J. G. Density functional theory study on the thermodynamics and mechanism of carbon dioxide capture by CaO and CaO regeneration. Rsc. Adv. 2016, 6, 39460−39468. doi: 10.1039/C6RA05152A
37. [37]
  Penninger, M. W.; Chang, H. K.; Thompson, L. T.; Schneider, W. F. DFT analysis of NO oxidation intermediates on undoped and doped LaCoO₃ perovskite. J. Phys. Chem. C 2015, 119, 20488−20494. doi: 10.1021/acs.jpcc.5b06351
38. [38]
  Momma, K.; Izumi, F. VESTA: a three-dimensional visualization system for electronic and structural analysis. J. Appl. Crystallogr. 2008, 41, 653−658. doi: 10.1107/S0021889808012016
39. [39]
  Logsdail, A. J.; Mora-Fonz, D.; Catkiw, C. R. A.; Scanlon, D. O.; Sokol, A. A. Structural, energetic and electronic properties of (100) surfaces for alkaline earth metal oxides as calculated with hybrid density functional theory. Sur. Sci. 2015, 642, 58−65. doi: 10.1016/j.susc.2015.06.012
40. [40]
  Liu, X.; Shi, J.; He, L.; Ma, X.; Xu, S. Modification of CaO-based sorbents prepared from calcium acetate for CO₂ capture at high temperature. Chin. J. Chem. Eng. 2016, 25, 572−580.
41. [41]
  Hahn, K. R.; Iannuzzi, M.; Seitsonen, A. P.; Hutter, J. Coverage effect of the CO₂ adsorption mechanisms on CeO₂(111) by first principles analysis. J. Phys. Chem. C 2013, 117, 1701−1711 doi: 10.1021/jp309565u
42. [42]
  Solis, B. H.; Cui, Y.; Weng, X.; Seifert, J.; Freund, H. J. Initial stages of CO₂ adsorption on CaO: a combined experimental and computational study. Phys. Chem. Chem. Phys. 2017, 19, 4231−4242. doi: 10.1039/C6CP08504K
43. [43]
  Tosoni, S.; Spinnato, D.; Pacchioni, G. DFT study of CO₂ activation on doped and ultrathin MgO films. J. Phys. Chem. C 2015, 119, 27594−27602. doi: 10.1021/acs.jpcc.5b10130
44. [44]
  Mishra, A. K.; Roldan, A.; Leeuw, N. H. CuO surfaces and CO₂ activation: a dispersion-corrected DFT+U study. J. Phys. Chem. C 2016, 120, 2198−2214.
45. [45]
  Polfus, J. M.; Yildiz, B.; Tuller, H. L.; Bredesen, R. Adsorption of CO₂ and facile carbonate formation on BaZrO₃ surfaces. J. Phys. Chem. C 2018, 122, 307−314. doi: 10.1021/acs.jpcc.7b08223
46. [46]
  Hinojosa, J. A. Jr.; Antony, A.; Hakanoglu, C.; Asthagiri, A.; Weaver, J. F. Adsorption of CO₂ on a PdO (101) thin film. J. Phys. Chem. C 2012, 116, 3007−3016.
47. [47]
  Downing, C. A; Sokol, A. A.; Catlow, C. R. The reactivity of CO₂ on the MgO (100) surface. Phys. Chem. Chem. Phys. 2013, 16, 184−195.
48. [48]
  Preda, G.; Pacchioni, G.; Chiesa, M.; Giamello, E. Formation of CO₂-radical anions from CO₂ adsorption on an electron-rich MgO surface: a combined ab initio and pulse EPR study. J. Phys. Chem. C 2008, 112, 19568−19576. doi: 10.1021/jp806049x
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