Beyond-CMOS Artificial Neuron: A Simulation- Based Exploration of the Molecular-FET

IEEE Trans. Electron Devices

Piccinini

et al. 2022

Self Cite

We investigate through atomistic calculation the electronic structure and transport properties of 3-phenylethynylene (OPE3), 7-phenylvynylene (OPV7), and [3,3]paraCyclophane (pCp)-based molecules. We reveal and analyze the Destructive Quantum Interference (DQI) phenomenon for the pCp single-molecule junction. The provided explanation of DQI via the dominant concurrence of inter-orbital and intra-orbital interference may support DQI engineering through the chemical synthesis of ad hoc molecular channel. Furthermore, we propose a Back gate Biasing-based method for the ON/OFF CUrrent Ratio Enhancement of the single-molecule Field-Effect transistor via the control of DQI (BBB-CURE-DQI). As an important outcome of the proposed method, an ON/OFF current ratio of 10 3 is achieved for pCp single-molecule FET. This value is orders of magnitude larger than typical values presented in the literature. The benefit of the DQI and the effectiveness of the BBB-CURE-DQI method are finally demonstrated at the circuital level by SPICE simulations of digital inverters implemented with the investigated molecules. Our analysis and results motivate the importance of future research investment for DQI manipulation via chemical synthesis and successive control to enable single-molecule FET-based nanocomputing applications.

Section: Computational Methodologymentioning

confidence: 99%

Enhancing the On/Off Current Ratio in Single-Molecule FET via Destructive Quantum Interference

Spano

IEEE Trans. Electron Devices

Piccinini

et al. 2022

Self Cite

“…Furthermore, the possibility of synthesizing ad hoc molecules with different and peculiar transport features permits implementing promising molecular electronic components [ 16 , 17 ]. For instance, Negative Differential Resistance (NDR), which cannot be observed in current solid-state technology, can be found in [3,3]paraCyclophane (pCp)-based molecular junctions and can be exploited in designing MolFET-based circuits [ 29 , 38 ].…”

Section: Theoretical Backgroundmentioning

confidence: 99%

Design of Pyrrole-Based Gate-Controlled Molecular Junctions Optimized for Single-Molecule Aflatoxin B1 Detection

Spano

et al. 2023

Sensors

Self Cite

Food contamination by aflatoxins is an urgent global issue due to its high level of toxicity and the difficulties in limiting the diffusion. Unfortunately, current detection techniques, which mainly use biosensing, prevent the pervasive monitoring of aflatoxins throughout the agri-food chain. In this work, we investigate, through ab initio atomistic calculations, a pyrrole-based Molecular Field Effect Transistor (MolFET) as a single-molecule sensor for the amperometric detection of aflatoxins. In particular, we theoretically explain the gate-tuned current modulation from a chemical–physical perspective, and we support our insights through simulations. In addition, this work demonstrates that, for the case under consideration, the use of a suitable gate voltage permits a considerable enhancement in the sensor performance. The gating effect raises the current modulation due to aflatoxin from 100% to more than 103÷104%. In particular, the current is diminished by two orders of magnitude from the μA range to the nA range due to the presence of aflatoxin B1. Our work motivates future research efforts in miniaturized FET electrical detection for future pervasive electrical measurement of aflatoxins.

“…An external electric field, named the clock field [11], generally activated or deactivated regions of the molecular wire, in order to guide the information propagation [12]. Molecular technology promises very high on-chip device density thanks to the natural nanometric size of molecules [13]. It also enables high-frequency operations at ambient temperature and the possibility to use self-assembly techniques.…”

Section: Introductionmentioning

confidence: 99%

A Model for the Evaluation of Monostable Molecule Signal Energy in Molecular Field-Coupled Nanocomputing

Graziano

Piccinini

2022

JLPEA

Self Cite

Molecular Field-Coupled Nanocomputing (FCN) is a computational paradigm promising high-frequency information elaboration at ambient temperature. This work proposes a model to evaluate the signal energy involved in propagating and elaborating the information. It splits the evaluation into several energy contributions calculated with closed-form expressions without computationally expensive calculation. The essential features of the 1,4-diallylbutane cation are evaluated with Density Functional Theory (DFT) and used in the model to evaluate circuit energy. This model enables understanding the information propagation mechanism in the FCN paradigm based on monostable molecules. We use the model to verify the bistable factor theory, describing the information propagation in molecular FCN based on monostable molecules, analyzed so far only from an electrostatic standpoint. Finally, the model is integrated into the SCERPA tool and used to quantify the information encoding stability and possible memory effects. The obtained results are consistent with state-of-the-art considerations and comparable with DFT calculation.