S. Mason

activity

20032013

most citedFirst-principles extrapolation method for accurate CO adsorption energies on metal surfaces

229 citations · 371 across the 6 of their papers we have counts for

collaborators

Showing 2006Show all

3 papers · 1 filter

cond-mat.mtrl-sci2006

Spontaneous Formation of Dipolar Metal Nanoclusters

Elizabeth A. Sokol, Sara E. Mason, Valentino R. Cooper +1

The adsorption of Ag $_{3}$ and Ag $_{4}$ clusters on the $α$ -Al $_{2}$ O $_{3}$ (0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-su…

cond-mat.mtrl-sci2006★ 142 cited

Structure and dielectric response in the high $T_{c}$ ferroelectric Bi(Zn,Ti)O $_{3}$ -PbTiO $_{3}$ solid solutions

Ilya Grinberg, Matthew R. Suchomel, Wojtek Dmowski +4

Theoretical {\em ab initio} and experimental methods were used to investigate the $x$ Bi(Zn,Ti)O $_{3}$ -(1- $x$ )PbTiO $_{3}$ (BZT-PT) solid solution. We find that hybridization between Zn…

cond-mat.mtrl-sci2006

Orbital-Specific Modeling of CO Chemisorption

Sara E. Mason, Ilya Grinberg, Andrew M. Rappe

We demonstrate that variations in molecular chemisorption energy on different metals, different surface terminations, and different strain conditions can be accounted for by orbita…

Spontaneous Formation of Dipolar Metal Nanoclusters

Structure and dielectric response in the high Tc​ ferroelectric Bi(Zn,Ti)O3​-PbTiO3​ solid solutions

Orbital-Specific Modeling of CO Chemisorption

Structure and dielectric response in the high $T_{c}$ ferroelectric Bi(Zn,Ti)O $_{3}$ -PbTiO $_{3}$ solid solutions