Two-dimensional silicon and carbon monochalcogenides with the structure of phosphorene

por Rocca, Dario, Abboud, Ali, Vaitheeswaran, Ganapathy, Lebègue, Sébastien
Publicado 2017

Electronic Structure and Band Alignments of Various Phases of Titania Using the Self-Consistent Hybrid Density Functional and DFT+U Methods

por Kim, Won June, Han, Myung Hoon, Lebègue, Sébastien, Lee, Eok Kyun, Kim, Hyungjun
Publicado 2019

Electronic properties of several two dimensional halides from ab initio calculations

por Barhoumi, Mohamed, Abboud, Ali, Debbichi, Lamjed, Said, Moncef, Björkman, Torbjörn, Rocca, Dario, Lebègue, Sébastien
Publicado 2019

Synergistic adsorptions of Na(2)CO(3) and Na(2)SiO(3) on calcium minerals revealed by spectroscopic and ab initio molecular dynamics studies

por Foucaud, Yann, Badawi, Michaël, Filippov, Lev O., Barres, Odile, Filippova, Inna V., Lebègue, Sébastien
Publicado 2019