Questions tagged [dehydrogenation]
Check other tags first! This tag isn't popular.
2
questions
6
votes
1
answer
56
views
Is it possible to simulate the intercalation of hydrogen nanobubbles?
Is it possible to simulate the intercalation of hydrogen nanobubbles into 2D layered materials using first principles calculations such as Density Functional Theory? Would this require a multi-scale ...
- 119
7
votes
1
answer
267
views
Can the dehydrogenation energy be negative?
I am studying the dehydrogenation of a cyclohexane ring containing $\ce{B-N}$ on the adjacent position.
or simply we can think about $\ce{H3N-BH3}$.
If we release one $\ce{H2}$ molecule from it then ...
- 1,663