326 citations · 627 across the 4 of their papers we have counts for
4 papers
Electronic, dynamical, and thermal properties of ultra-incompressible superhard rhenium diboride: A combined first-principles and neutron scattering study
W. Zhou, H. Wu, T. Yildirim
Rhenium diboride is a recently recognized ultra-incompressible superhard material. Here we report the electronic (e), phonon (p), e-p coupling and thermal properties of ReB fro…
Hydrogen Absorption Properties of Metal-Ethylene Complexes
W. Zhou, T. Yildirim, E. Durgun +1
Recently, we have predicted [Phys. Rev. Lett. 97, 226102 (2006)] that a single ethylene molecule can form stable complexes with light transition metals (TM) such as Ti and the resu…
Transition Metal-Ethylene Complexes as High-Capacity Hydrogen Storage Media
Engin Durgun, Salim Ciraci, W. Zhou +1
From first-principles calculations, we predict that a single ethylene molecule can form a stable complex with two transition metals (TM) such as Ti. The resulting TM-ethylene compl…
Lattice Dynamics of Metal-Organic Frameworks (MOFs): Neutron Inelastic Scattering and First-Principles Calculations
W. Zhou, T. Yildirim
By combining neutron inelastic scattering (NIS) and first-principles calculations, we have investigated the lattice dynamics of MOF5. The structural stability of MOF5 was evaluated…