Related Experiment Video
Updated: Jul 9, 2025
Silicon Metal-oxide-semiconductor Quantum Dots for Single-electron Pumping
Published on: June 3, 2015
Ab initio studies of counterion effects in molecular quantum-dot cellular automata
Nishattasnim Liza1, Daniel J Coe1, Yuhui Lu1
1Department of Electrical and Computer Engineering, Baylor University, Waco, Texas, USA.
Abstract:
Molecular quantum-dot cellular automata (QCA) is a low-power computing paradigm that may offer ultra-high device densities and THz-speed switching at room temperature. A single mixed-valence (MV) molecule acts as an elementary QCA device known as a cell. Cells coupled locally via the electrostatic field form logic circuits. However, previously-synthesized ionic MV molecular cells are affected by randomly-located, nearby neutralizing counterions that can bias device states or change device characteristics, causing incorrect computational results. This ab initio study explores how non-biasing counterions affect individual molecular cells. Additionally, we model two novel neutral, zwitterionic MV QCA molecules designed to avoid biasing and other undesirable counterionic effects. The location of the neutralizing counterion is controlled by integrating one counterion into each cell at a well-defined, non-biasing location. Each zwitterionic QCA candidate molecule presented here has a fixed, integrated counterion, which neutralizes the mobile charges used to encode the device state.
Related Concept Videos
02:58Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
02:42Valence Bond Theory
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
03:45Formation of Complex Ions
02:46Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
02:40MO Theory and Covalent Bonding