Journal of Inorganic Materials ›› 2022, Vol. 37 ›› Issue (1): 45-50.DOI: 10.15541/jim20210127
• TOPICAL SECTION: Green Conversion of CO2 (Contributing Editor: OUYANG Shuxin, WANG Wenzhong) • Previous Articles Next Articles
LI Bangxin1,2(), ZHANG Qian2(), XIAO Jie2, XIAO Wenyan2, ZHOU Ying1,2
Received:
2021-03-04
Revised:
2021-05-01
Published:
2022-01-20
Online:
2021-05-25
Contact:
ZHANG Qian, associate professor. E-mail: zhangqian@swpu.edu.cn
About author:
LI Bangxin(1995-), male, Master candidate. E-mail: 1449569638@qq.com
Supported by:
CLC Number:
LI Bangxin, ZHANG Qian, XIAO Jie, XIAO Wenyan, ZHOU Ying. Iron-doping Enhanced Basic Nickel Carbonate for Moisture Resistance and Catalytic Performance of Ozone Decomposition[J]. Journal of Inorganic Materials, 2022, 37(1): 45-50.
Fig. 2 (a) SEM image of NiCH-Fe5% and corresponding EDS mappings of (b) Ni and (c) Fe elements, TEM images of (d) NiCH and (e) NiCH-Fe5%, and (f) HRTEM image of NiCH-Fe5%
Molecule | Site | NiCH | NiCH-Fe |
---|---|---|---|
O3 | Ni | -0.36 eV | -0.57 eV |
Fe(Ni) | -0.02 eV(Ni) | -1.93eV(Fe) | |
O1 | -0.28 eV | -0.61 eV | |
O2 | -0.69 eV | -0.46 eV | |
H2O | Ni | -0.15 eV | -0.41 eV |
Fe(Ni) | -0.24 eV(Ni) | -0.55 eV(Fe) |
Table 1 Adsorption energy of ozone and H2O on different sites of NiCH and NiCH-Fe5%
Molecule | Site | NiCH | NiCH-Fe |
---|---|---|---|
O3 | Ni | -0.36 eV | -0.57 eV |
Fe(Ni) | -0.02 eV(Ni) | -1.93eV(Fe) | |
O1 | -0.28 eV | -0.61 eV | |
O2 | -0.69 eV | -0.46 eV | |
H2O | Ni | -0.15 eV | -0.41 eV |
Fe(Ni) | -0.24 eV(Ni) | -0.55 eV(Fe) |
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