TY - JOUR
T1 - Influence of Surface Chemistry on Water Absorption in Functionalized Germanane
AU - Asel, Thaddeus J.
AU - Huey, Warren L.B.
AU - Noesges, Brenton
AU - Molotokaite, Egle
AU - Chien, Szu Chia
AU - Wang, Yaxian
AU - Barnum, Aldriel
AU - McPherson, Chris
AU - Jiang, Shishi
AU - Shields, Seth
AU - D'Andrea, Cosimo
AU - Windl, Wolfgang
AU - Cinquanta, Eugenio
AU - Brillson, Leonard J.
AU - Goldberger, Joshua E.
N1 - Publisher Copyright:
Copyright © 2020 American Chemical Society.
PY - 2020/2/25
Y1 - 2020/2/25
N2 - The graphane analogues of group 14 are a unique family of 2D materials due to the necessity of a terminal ligand for stability. Here we highlight how changing the surface ligand can lead to nonobvious interactions with other chemical species. We show using XRD, FTIR, and TGA that GeCH3 reversibly absorbs water into the van der Waals space, whereas GeH does not intercalate water. Molecular dynamics and density functional theory simulations predict that water datively interacts with the Ge-C σ∗ pocket on the Ge framework, resulting in local structural distortions. Surprisingly, these distortions give rise to an intense above band gap luminescence state of 1.87 eV, with an average lifetime of hundreds of picoseconds. This work opens potential applications for exploiting surface functionalization chemistry of 2D materials to create membrane and separation technologies.
AB - The graphane analogues of group 14 are a unique family of 2D materials due to the necessity of a terminal ligand for stability. Here we highlight how changing the surface ligand can lead to nonobvious interactions with other chemical species. We show using XRD, FTIR, and TGA that GeCH3 reversibly absorbs water into the van der Waals space, whereas GeH does not intercalate water. Molecular dynamics and density functional theory simulations predict that water datively interacts with the Ge-C σ∗ pocket on the Ge framework, resulting in local structural distortions. Surprisingly, these distortions give rise to an intense above band gap luminescence state of 1.87 eV, with an average lifetime of hundreds of picoseconds. This work opens potential applications for exploiting surface functionalization chemistry of 2D materials to create membrane and separation technologies.
UR - http://www.scopus.com/inward/record.url?scp=85081132405&partnerID=8YFLogxK
U2 - 10.1021/acs.chemmater.9b04632
DO - 10.1021/acs.chemmater.9b04632
M3 - 期刊論文
AN - SCOPUS:85081132405
SN - 0897-4756
VL - 32
SP - 1537
EP - 1544
JO - Chemistry of Materials
JF - Chemistry of Materials
IS - 4
ER -