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
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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
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。
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