Engineering the Optical Response of the Titanium-MIL-125 Metal–Organic Framework through Ligand Functionalization

H. Hendon, Christopher; Tiana, Davide; Fontecave, Marc; Sánchez, Clément; D'Arras, Loïc; Sassoye, Capucine; Rozes, Laurence; Mellot‐Draznieks, Caroline; Walsh, Aron

doi:10.1021/ja405350u

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Engineering the Optical Response of the Titanium-MIL-125 Metal–Organic Framework through Ligand Functionalization

Published in Journal of the American Chemical Society • Jul 10, 2013

Authors:

Christopher H. Hendon

Davide Tiana

Marc Fontecave

Abstract

Herein we discuss band gap modification of MIL-125, a TiO2/1,4-benzenedicarboxylate (bdc) metal-organic framework (MOF). Through a combination of synthesis and computation, we elucidated the electronic structure of MIL-125 with aminated linkers. The band gap decrease observed when the monoaminated b...

Subject

Chemistry

Surface modification

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