Hello @LatinXChem, my name is Edgar Paredes Sotelo and this is my work titled: "First-principles study of electronic and optical properties of hybrid perovskites for use of solar cells" π #LatinXChem#LXChemComp#Comp056#DFT#Perovskites
Hola comunidad #RMFQT, les presento nuestro trabajo titulado: 'Optical properties of graphene and silicene monolayers'. #CompChem#RMFQTXIX
Poster en pdf: https://t.co/6gR0EMye03
@rgraucrespo @LatinXChem Its orientation has a slight impact on the bandgap since when modified, the perovskite crystal lattice formed by lead and the halogens atoms changes their bond angles, which causes a small change in the material bandgap.
@rgraucrespo @LatinXChem Hello, thank you very much for your question, We did a little exploration of the orientation of the methylammonium molecule in our perovskites, the orientation we chose gave us the minimum energy for each our perovskite systems presented.