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Tuning electronic and optical properties of bismuth monolayers by molecular adsorption

da Rosa, AL; Lima, EN; da Silva, MC; Pontes, RB; Schmidt, TM; Frauenheim, T

da Rosa, AL (corresponding author), Univ Fed Goias, Inst Phys, Campus Samambaia, BR-74690900 Goiania, Go, Brazil.; da Rosa, AL (corresponding author), Univ Bremen, Bremen Ctr Computat Mat Sci, Fallturm 1, D-28359 Bremen, Germany.

SURFACE SCIENCE, 2021; 710 ():

Abstract

We perform first-principles calculations of the electronic and dielectric properties of bismuthene functionalized with small ligands. Molecular dynami......

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