硼氮掺碳纳米管合成BC2N的电子结构和电学性质_电子资料文库 关键字:BC2N纳米管,带隙,态密度,成键,ROB3LYP [gap=639]Keywords: BC2N nanotubes,bond gaps ,density of states ,bonding,ROB3LYP
基于32个网页-相关网页
These analyses reveal that the bonding interactions are dominated by the π-back-donation although σ-donation plays a significant role.
分析结果显示,虽然σ轨道在成键过程中扮演了主要角色,但是对吸附起决定作用的却是π轨道。
参考来源 - 直接甲醇燃料电池催化剂一氧化碳“中毒”的理论研究·2,447,543篇论文数据,部分数据来源于NoteExpress
这就是成键分子轨道的概念。
价电子成键理论,非常容易理解。
So the idea behind valence bond theory is very easy to understand.
我们从成键中获得。
So, if we hybridize just these three orbitals, what we're going to end up with is our s p 2 hybrid orbitals.
我们会看到现在有3个未配对的电子,可以成键。
So we started with 10 valence electrons, we used up 8 of those electrons in terms of making bonds.
我们一开始有十个价电子,然后用掉了八个电子来成键。
And so this lower level is called a bonding orbital, and it is a bonding molecular orbital.
所以能级较低的轨道叫做成键轨道,这就是成键分子轨道。
应用推荐