UC知道英语翻译（化学专业）
来源：百度知道 编辑：UC知道 时间：2024/05/16 20:21:05
CO2 chemisorption on the Ni(111), Ni(100), and Ni(110) surfaces was investigated at the level of density functional theory. It was found that the ability of CO2 chemisorption is in the order of Ni(110) > Ni(100) >Ni(111). CO2 has exothermic chemisorption on Ni(110) and endothermic chemisorption on Ni(111), while it
is thermally neutral on Ni(100). It is also found that there is no significant lateral interaction between the adsorbed CO2 at 1/4 monolayer (ML) coverage, while there is stronger repulsive interaction at 1/2 ML. On all surfaces, the chemisorbed CO2 is partially negatively charged, indicating the enhanced electron transfer, and the stronger the electron transfer, the stronger the CdO bond elongation. The bonding nature of the adsorbed CO2 on nickel surfaces has been analyzed. The thermodynamics of CO2 dissociative chemisorption, compared with CO and O adsorption, has been discussed, and the thermodynamic preference is in the sequence Ni(100)
请高手帮翻译
is thermally neutral on Ni(100). It is also found that there is no significant lateral interaction between the adsorbed CO2 at 1/4 monolayer (ML) coverage, while there is stronger repulsive interaction at 1/2 ML. On all surfaces, the chemisorbed CO2 is partially negatively charged, indicating the enhanced electron transfer, and the stronger the electron transfer, the stronger the CdO bond elongation. The bonding nature of the adsorbed CO2 on nickel surfaces has been analyzed. The thermodynamics of CO2 dissociative chemisorption, compared with CO and O adsorption, has been discussed, and the thermodynamic preference is in the sequence Ni(100)
请高手帮翻译
CO2 的化学吸附对镍（ 111 ） ，镍（ 100 ） ，和Ni （ 110 ）表面被调查，在水平密度泛函理论。它发现的能力是二氧化碳吸附在该命令中的Ni （ 110 ） >镍（ 100 ） >镍（ 111 ） 。二氧化碳已放热化学吸附在Ni （ 110 ）和吸热化学吸附在Ni （ 111 ） ，而它
是热中性对Ni （ 100 ）。这亦是发现有没有显着的横向之间的互动，吸附CO2的1 / 4单分子膜（毫升）的覆盖面，而有更强的令人厌恶的互动，在1 / 2毫升。对所有表面， chemisorbed CO2是部分负电荷，表明了加强电子转移，以及强大的电子转移，就愈强的CDO债券伸长率。粘接的性质，吸附CO2对镍表面进行了分析。热力学CO2的解离化学吸附相比，合作和O吸附，已讨论过，和热力学的偏好是在序列倪（ 100 ）