21 citations · 21 across the 1 of their papers we have counts for
3 papers · 1 filter
Unveiling the impact of organic cation passivation on structural and optoelectronic properties of two-dimensional perovskites thin films
Israel C. Ribeiro, Pedro Ivo R. Moraes, Albert F. B. Bittencourt +1
Several organic cations have been used to passivate perovskite films; however, selecting the optimal cation remains challenging. In this work, we carried out density functional the…
Understanding the Clean Interface between Covalent Si and Ionic Al2O3
H. J. Xiang, Juarez L. F. Da Silva, Howard M. Branz +1
The atomic and electronic structures of the (001)-Si/(001)-gamma-Al2O3 heterointerface are investigated by first principles total energy calculations combined with a newly develope…
Adsorption of Xe atoms on metal surfaces: New insights from first-principles calculations
Juarez L. F. Da Silva, Catherine Stampfl, Matthias Scheffler
The adsorption of rare gases on metal surfaces serve as the paradigm of weak adsorption where it is typically assumed that the adsorbate occupies maximally coordinated hollow sites…