Mechanistic and Experimental Study of the Cu<sub>x</sub>O@C Nanocomposite Derived from Cu<sub>3</sub>(BTC)<sub>2</sub> for SO<sub>2</sub> Removal
A tunable and efficient strategy was adopted to synthesize highly porous nano-structured CuO−carbonized composites (Cu<sub>x</sub>O@C) using Cu<sub>3</sub>(BTC)<sub>2</sub> as a sacrificial template. The as-synthesized CuO nanocomposites exhibited hollow octahedra...
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MDPI AG
2022-06-01
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| Series: | Catalysts |
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| Online Access: | https://www.mdpi.com/2073-4344/12/7/689 |
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| author | Rudi Duan Weibin Chen Ziwei Chen Jialiang Gu Zhaoqi Dong Beini He Lili Liu Xidong Wang |
| author_facet | Rudi Duan Weibin Chen Ziwei Chen Jialiang Gu Zhaoqi Dong Beini He Lili Liu Xidong Wang |
| author_sort | Rudi Duan |
| collection | DOAJ |
| description | A tunable and efficient strategy was adopted to synthesize highly porous nano-structured CuO−carbonized composites (Cu<sub>x</sub>O@C) using Cu<sub>3</sub>(BTC)<sub>2</sub> as a sacrificial template. The as-synthesized CuO nanocomposites exhibited hollow octahedral structures, a large surface area (89.837 m<sup>2</sup> g<sup>−1</sup>) and a high proportion of Cu<sub>2</sub>O active sites distributed on a carbon frame. Based on DFT calculations, both the Cu atoms on the surface (Cu<sub>S</sub>) and oxygen vacancy (O<sub>V</sub>) exhibited strong chemical reactivity. On the perfect CuO (111), the Cu<sub>S</sub> transferred charge to O atoms on the surface and SO<sub>2</sub> molecules. A strong adsorption energy (−1.41 eV) indicated the existence of the chemisorption process. On the oxygen-deficient CuO (111), the O<sub>2</sub> preferably adsorbed on O<sub>V</sub> and then formed SO<sub>3</sub> by bonding with SO<sub>2</sub>, followed by the cleavage of the O−O bond. Furthermore, the CuO nanocomposites exhibited an excellent ratio of S/Cu in SO<sub>2</sub> removal experiments compared with CuO nanoparticles produced by coprecipitation. |
| first_indexed | 2024-03-09T10:20:58Z |
| format | Article |
| id | doaj.art-1fff2ca1f7b24bc494d666ef1ef84b9d |
| institution | Directory Open Access Journal |
| issn | 2073-4344 |
| language | English |
| last_indexed | 2024-03-09T10:20:58Z |
| publishDate | 2022-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Catalysts |
| spelling | doaj.art-1fff2ca1f7b24bc494d666ef1ef84b9d2023-12-01T22:00:01ZengMDPI AGCatalysts2073-43442022-06-0112768910.3390/catal12070689Mechanistic and Experimental Study of the Cu<sub>x</sub>O@C Nanocomposite Derived from Cu<sub>3</sub>(BTC)<sub>2</sub> for SO<sub>2</sub> RemovalRudi Duan0Weibin Chen1Ziwei Chen2Jialiang Gu3Zhaoqi Dong4Beini He5Lili Liu6Xidong Wang7College of Engineering, Peking University, 5 Yiheyuan Road, Beijing 100871, ChinaCollege of Engineering, Peking University, 5 Yiheyuan Road, Beijing 100871, ChinaCollege of Engineering, Peking University, 5 Yiheyuan Road, Beijing 100871, ChinaCollege of Engineering, Peking University, 5 Yiheyuan Road, Beijing 100871, ChinaCollege of Engineering, Peking University, 5 Yiheyuan Road, Beijing 100871, ChinaCollege of Engineering, Peking University, 5 Yiheyuan Road, Beijing 100871, ChinaCollege of Engineering, Peking University, 5 Yiheyuan Road, Beijing 100871, ChinaCollege of Engineering, Peking University, 5 Yiheyuan Road, Beijing 100871, ChinaA tunable and efficient strategy was adopted to synthesize highly porous nano-structured CuO−carbonized composites (Cu<sub>x</sub>O@C) using Cu<sub>3</sub>(BTC)<sub>2</sub> as a sacrificial template. The as-synthesized CuO nanocomposites exhibited hollow octahedral structures, a large surface area (89.837 m<sup>2</sup> g<sup>−1</sup>) and a high proportion of Cu<sub>2</sub>O active sites distributed on a carbon frame. Based on DFT calculations, both the Cu atoms on the surface (Cu<sub>S</sub>) and oxygen vacancy (O<sub>V</sub>) exhibited strong chemical reactivity. On the perfect CuO (111), the Cu<sub>S</sub> transferred charge to O atoms on the surface and SO<sub>2</sub> molecules. A strong adsorption energy (−1.41 eV) indicated the existence of the chemisorption process. On the oxygen-deficient CuO (111), the O<sub>2</sub> preferably adsorbed on O<sub>V</sub> and then formed SO<sub>3</sub> by bonding with SO<sub>2</sub>, followed by the cleavage of the O−O bond. Furthermore, the CuO nanocomposites exhibited an excellent ratio of S/Cu in SO<sub>2</sub> removal experiments compared with CuO nanoparticles produced by coprecipitation.https://www.mdpi.com/2073-4344/12/7/689DFT calculationcopper oxideHKUST−1SO<sub>2</sub> removalflue gas desulfurization |
| spellingShingle | Rudi Duan Weibin Chen Ziwei Chen Jialiang Gu Zhaoqi Dong Beini He Lili Liu Xidong Wang Mechanistic and Experimental Study of the Cu<sub>x</sub>O@C Nanocomposite Derived from Cu<sub>3</sub>(BTC)<sub>2</sub> for SO<sub>2</sub> Removal Catalysts DFT calculation copper oxide HKUST−1 SO<sub>2</sub> removal flue gas desulfurization |
| title | Mechanistic and Experimental Study of the Cu<sub>x</sub>O@C Nanocomposite Derived from Cu<sub>3</sub>(BTC)<sub>2</sub> for SO<sub>2</sub> Removal |
| title_full | Mechanistic and Experimental Study of the Cu<sub>x</sub>O@C Nanocomposite Derived from Cu<sub>3</sub>(BTC)<sub>2</sub> for SO<sub>2</sub> Removal |
| title_fullStr | Mechanistic and Experimental Study of the Cu<sub>x</sub>O@C Nanocomposite Derived from Cu<sub>3</sub>(BTC)<sub>2</sub> for SO<sub>2</sub> Removal |
| title_full_unstemmed | Mechanistic and Experimental Study of the Cu<sub>x</sub>O@C Nanocomposite Derived from Cu<sub>3</sub>(BTC)<sub>2</sub> for SO<sub>2</sub> Removal |
| title_short | Mechanistic and Experimental Study of the Cu<sub>x</sub>O@C Nanocomposite Derived from Cu<sub>3</sub>(BTC)<sub>2</sub> for SO<sub>2</sub> Removal |
| title_sort | mechanistic and experimental study of the cu sub x sub o c nanocomposite derived from cu sub 3 sub btc sub 2 sub for so sub 2 sub removal |
| topic | DFT calculation copper oxide HKUST−1 SO<sub>2</sub> removal flue gas desulfurization |
| url | https://www.mdpi.com/2073-4344/12/7/689 |
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