Identifying active site structure and unveiling corresponding reaction pathways are crucial
issues to construct compatible reactive components in bifunctional catalysts for direct syngas …

Methanol is an interesting and important molecule to study because of its potential to
replace existing fuels. It is also a prominent hydrogen source which can be used to generate …

We have investigated various Zn-based catalysts for their interaction with methanol (MeOH).
MeOH is one of the most critical molecules being studied extensively, and Zn-based …

Identifying factors that influence interactions at the surface is still an active area of research.
In this work, the importance of analyzing bond length activations (BLact) along with …

Methane is a major constituent of natural gas and is widely used in hydrogen production.
However, its high symmetry poses a challenge, as breaking the strong CH bond requires …

As the world's population increases, so the energy required for daily activities. To date, the
primary energy source on a global scale is non-renewable fossil fuels, particularly coal …

Methanol is an interesting and important molecule to study becauseof its potential to replace
existing fuels. It is also a prominent hydrogen source which can be used to generate …