2014年7月5日 · The result of our calculations is that the twinned truncated octahedral (t-TO) Ru 79 nanocluster possesses active sites that have orbital symmetries suitable to lead to an efficient transfer of charge from the d orbital of Ru atoms to the 2π* orbital of the N 2 molecule, much decreasing the dissociation barrier. Accordingly, we predict that ...

2014年7月5日 · Density-functional theory calculations for the N 2 molecule dissociation on a twinned truncated octahedral (t-TO) Ru 79 nanocluster have been investigated. Results demonstrate that dissociating the N N bond of a N 2 molecule on a t-TO Ru 79 nanocluster has a very low reaction barrier, 0.27 eV.

Han-Jung Li, Chen-Hao Yeh, and Jia-Jen Ho* “The highly effective catalytic behavior of a metal nanocluster Ru 79 on the dissociation of a N 2 molecule—A quantum-chemical calculation” Catal. Commun. 2014 , 52 , 5-9.

2024年12月3日 · Excellent carriers can provide more electrons and increase the electron cloud density of Ru [79], the formation of an antibonding state attenuates N–Ru interactions and facilitates the dissociative desorption of N 2 [80]. CO 2-TPD tests were performed on the three catalysts to examine their alkalinity.

2021年7月19日 · R179-300涡喷发动机是在Yak-79垂直起降（VTOL）飞机的R300V-79发动机（产品141）的基础上研制的。 Р79В-300发动机在最大和加力模式下的推力参数明显超过了其他第四代涡喷发动机的参数。 Р79В-300 的重量略高，但不要忘记它包括一个旋转喷嘴，允许在水平和垂直模式下使用加力燃烧室。 在专业出版物的页面和互联网上，经常讨论俄罗斯空军（空军）缺乏轻型单引擎战斗机——美国 F-16 的类似物——的问题。 但是，事实上，这样的飞机实际上是 …

2024年6月5日 · In this work, we have investigated density functional theory calculations concerning urea production on a twinned truncated octahedral (t-TO) Cu 19 @Ru 60 core/shell nanoparticle (CSNP). Compared to Ru 79, it is found that CO 2 undergoes preferential reduction to CO in a thermodynamically favorable manner within the Cu 19 @Ru 60 CSNP.

2019年12月19日 · The Ru 79 is comparable to the Pt 79 nanocluster in structural aspects which has been well studied for its applicability for ORR in our group.41 It has two facets, viz., (111) and (001) separated by edge sites (Figure 1(a)). The Ru 87 cluster has two different facets – one is the (0001) and another is (10 \( \bar{1} \) 1).

Density-functional theory calculations for the N 2 molecule dissociation on a twinned truncated octahedral (t-TO) Ru 79 nanocluster have been investigated. Results demonstrate that dissociating the NN bond of a N 2 molecule on a t-TO Ru 79 nanocluster has a very low reaction barrier, 0.27 eV.

In this work, we have investigated density functional theory calculations concerning urea production on a twinned truncated octahedral (t-TO) Cu19@Ru60 core/shell nanoparticle (CSNP). Compared to Ru79, it is found that CO2 undergoes preferential reduction to CO in a thermodynamically favorable manner within the Cu19@Ru60 CSNP.