Theoretical Analysis of Complementary Molecular Memory Devices
Theoretical Analysis of Complementary Molecular Memory Devices
复制标题
DOI：
10.1021/jp003283q
复制
发表时间：
2001-02
影响因子：
2.9
通讯作者：
J. Seminario;A. Zacarias;P. Derosa
中科院分区：
文献类型：
--
作者：
J. Seminario;A. Zacarias;P. Derosa
采用密度泛函和格林函数完全自洽相结合的量子化学方法，研究了﷿共轭低聚(苯乙炔)体系作为存储器件的电学行为。电子电荷改变了分子的阻抗特性，在某些情况下提供了可以用来在实验上确定分子的电荷状态的可区分的“阻抗状态”。通过在分子中排列取代基，可以策略性地设计导电和非导电状态。NH2基团定域最高能量占据电子态，而NO2基团定域齐聚物体系最低能量未占据轨道。这些效应产生了两个互补的分子存储器，每个存储器的体积都小于1 nm 3。
The electrical behavior of ﷿-conjugated oligo(phenyleneethynylene) systems functioning as memory devices is studied using quantum chemistry methods, including density functional and Green function formalisms combined in a fully self-consistent manner. Electron charge alters a molecule impedance characteristic providing in some cases distinguishable “impedance states” that can serve to determine experimentally the state of charge of the molecule. Conducting and nonconducting states can be strategically engineered by arranging substituents in a molecule. The NH2 group localizes the highest energy occupied electronic states whereas the NO2 group localizes the lowest energy unoccupied orbitals of the oligomer systems. These effects yield two complementary molecular memories, each occupying a volume smaller than 1 nm 3 .