Issue 15, 2019

Molecular QCA embedding in microporous materials

Abstract

We propose an environment for information encoding and transmission via a nanoconfined molecular Quantum Dot Cellular Automata (QCA) wire, composed of a single row of head-to-tail interacting 2-dots molecular switches. While most of the research in the field refers to dots-bearing molecules bound on some type of surface, forming a bidimensional array of square cells capable of performing QCA typical functions, we propose here to embed the information bearing elements within the channels of a microporous matrix. In this way molecules would self-assemble in a row as a consequence of adsorption inside the pores of the material, forming an encased wire, with the crystalline environment giving stability and protection to the structure. DFT calculations on a diferrocenyl carborane, previously proposed and synthesized [J. A. Christie, R. P. Forrest, S. A. Corcelli, N. A. Wasio, R. C. Quardokus, R. Brown, S. A. Kandel, Y. Lu, C. S. Lent and K. W. Henderson, Angew. Chem., Int. Ed., 2015, 54, 15448], were performed both in vacuum and inside the channels of zeolite ITQ-51, indicating that information encoding and transmission is possible within the nanoconfined environment.

Graphical abstract: Molecular QCA embedding in microporous materials

Article information

Article type
Paper
Submitted
11 Feb 2019
Accepted
25 Mar 2019
First published
25 Mar 2019

Phys. Chem. Chem. Phys., 2019,21, 7879-7884

Molecular QCA embedding in microporous materials

A. M. Pintus, A. Gabrieli, F. G. Pazzona, G. Pireddu and P. Demontis, Phys. Chem. Chem. Phys., 2019, 21, 7879 DOI: 10.1039/C9CP00832B

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