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Effect of Incorporating Aromatic and Chiral Groups on the Dielectric Properties of Poly(dimethyltin esters)
Author(s) -
Baldwin Aaron F.,
Ma Rui,
Huan Tran Doan,
Cao Yang,
Ramprasad Ramamurthy,
Sotzing Gregory A.
Publication year - 2014
Publication title -
macromolecular rapid communications
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.348
H-Index - 154
eISSN - 1521-3927
pISSN - 1022-1336
DOI - 10.1002/marc.201400507
Subject(s) - dielectric , materials science , capacitor , polymer , dipole , band gap , ferroelectricity , permittivity , density functional theory , ionic bonding , high κ dielectric , polarization (electrochemistry) , chemical physics , computational chemistry , condensed matter physics , chemistry , optoelectronics , organic chemistry , composite material , physics , voltage , ion , quantum mechanics
High‐dielectric constant materials are critical for numerous applications such as photovoltaics, photonics, transistors, and capacitors. There are numerous polymers used as dielectric layers in these applications but can suffer from having a low dielectric constant, small band gap, or ferroelectricity. Here, the structure–property relationship of various poly(dimethyltin esters) is described that look to enhance the dipolar and atomic polarization component of the dielectric constant. These polymers are also modeled using first principles calculations based on density functional theory (DFT) to predict such values as the total, electronic, and ionic dielectric constant as well as structure. A strong correlation is achieved between the theoretical and experimental values with the polymers exhibiting dielectric constants >4.5 with dissipation on the order of 10 −3 –10 −2 .