《Table 1.The Most Stable Adsorption Energy, Bader Charge, and the Bond Length of C–Os on the CaO (00
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《A DFT Study on the Adsorption of CO_2 Molecules on CaO(001) Surface at Different Coverages》
The nine fractional coverages（1/9，2/9，1/3，4/9，5/9，2/3，7/9，8/9 and 1 ML）can be divided into three stages（low，medium，and high coverages）.Based upon MD simulations and thermodynamical analyses，the most stable structures of nine fractional coverages are obtained（Fig.3）and the corresponding adsorption energy，average C–Os bond length and Bader charge are also listed in Table 1.
| 图表编号 | XD0034853200 严禁用于非法目的 |
|---|---|
| 绘制时间 | 2019.01.01 |
| 作者 | 陈红、章永凡、李奕、黄淑萍、齐嘉媛、刘蓉 |
| 绘制单位 | College of Zhicheng, Fuzhou University、College of Chemistry, Fuzhou University、College of Chemistry, Fuzhou University、College of Chemistry, Fuzhou University、College of Chemistry, Fuzhou University、College of Chemistry, Fuzhou University、College of Mathe |
| 更多格式 | 高清、无水印（增值服务） |
