S. Alexandre

activity

20062019

most citedRoom temperature compressibility and diffusivity of liquid water from first principles

59 citations · 168 across the 8 of their papers we have counts for

collaborators

Showing 2014 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2014

Theoretical chemistry of $α$ -graphyne: functionalization, symmetry breaking, and generation of Dirac-fermion mass

R. Longuinhos, E. A. Moujaes, S. S. Alexandre +1

We investigate the electronic structure and lattice stability of pristine and functionalized (with either hydrogen or oxygen) $α$ -graphyne systems. We identify lattice instabilitie…

Theoretical chemistry of α-graphyne: functionalization, symmetry breaking, and generation of Dirac-fermion mass

Theoretical chemistry of $α$ -graphyne: functionalization, symmetry breaking, and generation of Dirac-fermion mass