Counterion-free molecular quantum-dot cellular automata using mixed valence zwitterions – A double-dot derivative of the [closo-1-CB9H10]− cluster

Abstract Molecular quantum-dot cellular automata (QCA) paradigm is a promising approach to molecular electronics. QCA cells can be implemented using mixed-valence compounds. However, the existence of counterions can perturb the local electric field and thus is detrimental to information encoding and processing. Here we examine the feasibility of using charge neutral, zwitterionic mixed-valence complex as QCA cells in which the positive and negative charges are found at different yet fixed locations within the molecule and therefore counterion effects are more predictable and controllable. A double-dot model molecule based on the derivative of the 1-carba- closo -decaborate monoanion [ closo -1-CB 9 H 10 ] − is investigated using computational chemistry techniques. The model molecule demonstrates bistability and switchability.

[1]  Paul von Ragué Schleyer,et al.  Stability and Three-Dimensional Aromaticity of closo-Monocarbaborane Anions, CBn-1Hn-, and closo-Dicarboranes, C2Bn-2Hn , 1998 .

[2]  Snider,et al.  Digital logic gate using quantum-Dot cellular automata , 1999, Science.

[3]  C. Lent,et al.  Fanout gate in quantum-dot cellular automata , 2007 .

[4]  Jieying Jiao,et al.  Properties of a mixed-valence (Fe(II))2(Fe(III))2 square cell for utilization in the quantum cellular automata paradigm for molecular electronics. , 2005, Journal of the American Chemical Society.

[5]  Rebecca C. Quardokus,et al.  Charge localization in isolated mixed-valence complexes: an STM and theoretical study. , 2010, Journal of the American Chemical Society.

[6]  Jing Ma,et al.  Electron switch in the double-cage fluorinated fullerene anions, e(-)@C20F18(XH)2C20F18 (X = N, B): new candidates for molecular quantum-dot cellular automata. , 2011, Physical chemistry chemical physics : PCCP.

[7]  Craig S. Lent,et al.  Bypassing the Transistor Paradigm , 2000, Science.

[8]  C. Lent,et al.  Realization of a Functional Cell for Quantum-Dot Cellular Automata , 1997 .

[9]  Natalie A. Wasio,et al.  STM Imaging of Three-Metal-Center Molecules: Comparison of Experiment and Theory For Two Mixed-Valence Oxidation States , 2012 .

[10]  Anuradha Gupta,et al.  Dependence of field switched ordered arrays of dinuclear mixed-valence complexes on the distance between the redox centers and the size of the counterions. , 2005, Journal of the American Chemical Society.

[11]  Weitao Yang,et al.  Insights into Current Limitations of Density Functional Theory , 2008, Science.

[12]  Massimo Marcaccio,et al.  Toward Quantum-dot Cellular Automata units: thiolated-carbazole linked bisferrocenes. , 2012, Nanoscale.

[13]  C. Lent,et al.  Molecular quantum cellular automata cells. Electric field driven switching of a silicon surface bound array of vertically oriented two-dot molecular quantum cellular automata. , 2003, Journal of the American Chemical Society.

[14]  C. Kubiak,et al.  Mixed Valency at the Nearly Delocalized Limit: Fundamentals and Forecast , 2009 .

[15]  J. Launay,et al.  Molecular wires built from binuclear cyclometalated complexes. , 2003, Journal of the American Chemical Society.

[16]  Jaromir Plesek,et al.  Potential applications of the boron cluster compounds , 1992 .

[17]  M. J. Carr,et al.  Monocarbaborane anion chemistry. [COOH], [CH2OH] and [CHO] units as functional groups on ten-vertex monocarbaborane anionic compounds. , 2004, Dalton transactions.

[18]  A. Dzurak,et al.  Demonstration of a silicon-based quantum cellular automata cell , 2006 .

[19]  Jin Wen,et al.  Exploring the Possibility of Noncovalently Surface Bound Molecular Quantum-Dot Cellular Automata: Theoretical Simulations of Deposition of Double-Cage Fluorinated Fullerenes on Ag(100) Surface , 2013 .

[20]  Wolfgang Porod,et al.  Quantum cellular automata , 1994 .

[21]  C. Lent,et al.  Molecular quantum-dot cellular automata , 2003 .

[22]  A. Aviram.  Molecules for memory, logic and amplification , 1988 .

[23]  J. Michl,et al.  Chemistry of the carba-closo-dodecaborate(-) anion, CB(11)H(12)(-). , 2006, Chemical reviews.

[24]  Yuhui Lu,et al.  Self-doping of molecular quantum-dot cellular automata: mixed valence zwitterions. , 2011, Physical chemistry chemical physics : PCCP.

[25]  P. Kaszyński,et al.  Functionalization of the [closo-1-CB9H10]- anion for the construction of new classes of liquid crystals. , 2013, Accounts of chemical research.

[26]  Natalie A. Wasio,et al.  Through-bond versus through-space coupling in mixed-valence molecules: observation of electron localization at the single-molecule scale. , 2012, Journal of the American Chemical Society.

[27]  Yuhui Lu,et al.  A metric for characterizing the bistability of molecular quantum-dot cellular automata , 2008, Nanotechnology.

[28]  Craig S. Lent,et al.  Molecular quantum-dot cellular automata: From molecular structure to circuit dynamics , 2007 .

[29]  E. Muetterties,et al.  Chemistry of Boranes. VIII. Salts and Acids of B10H10-2 and B1212-2 , 1964 .

[30]  D. Ritchie,et al.  Demonstration of a quantum cellular automata cell in a GaAs/AlGaAs heterostructure , 2007 .

[31]  V. Young,et al.  Anionic amino acid [closo-1-CB9H8-1-COO-10-NH3]- and dinitrogen acid [closo-1-CB9H8-1-COOH-10-N2] as key precursors to advanced materials: synthesis and reactivity. , 2010, Inorganic chemistry.

[32]  I. Sivaev,et al.  The synthesis of functional derivatives of the [1-CB9H10]-anion by Brellochs reaction , 2005 .