Skip to main content

Questions tagged [dehydrogenation]

Check other tags first! This tag isn't popular.

Filter by
Sorted by
Tagged with
6 votes
1 answer
58 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 ...
thehereandnow's user avatar
7 votes
1 answer
269 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 ...
astha's user avatar
  • 1,673