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Register a new userA comprehensive first-principle study of borophene-based nano gas sensor with gold electrodes
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Using density functional theory combined with nonequilibrium Greens function method, the transport properties of borophene-based nano gas sensors with gold electrodes are calculated, and comprehensive understandings regarding the effects of gas molecules, MoS$_2$ substrate and gold electrodes to the transport properties of borophene are made. Results show that borophene-based sensors can be used to detect and distinguish CO, NO, NO$_2$ and NH$_3$ gas molecules, MoS$_2$ substrate leads to a non-linear behavior on the current-voltage characteristic, and gold electrodes provide charges to borophene and form a potential barrier, which reduced the current values compared to the current of the systems without gold electrodes. Our studies not only provide useful information on the computationally design of borophene-based gas sensors, but also help understand the transport behaviors and underlying physics of 2D metallic materials with metal electrodes.
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Rapid and cost-effective DNA sequencing at the single nucleotide level might be achieved by measuring a transverse electronic current as single-stranded DNA is pulled through a nano-sized pore. In order to enhance the electronic coupling between the nucleotides and the electrodes and hence the current signals, we employ a pair of single-walled close-ended (6,6) carbon nanotubes (CNTs) as electrodes. We then investigate the electron transport properties of nucleotides sandwiched between such electrodes by using first-principles quantum transport theory. In particular we consider the extreme case where the separation between the electrodes is the smallest possible that still allows the DNA translocation. The benzene-like ring at the end cap of the CNT can strongly couple with the nucleobases and therefore both reduce conformational fluctuations and significantly improve the conductance. The optimal molecular configurations, at which the nucleotides strongly couple to the CNTs, and which yield the largest transmission, are first identified. Then the electronic structures and the electron transport of these optimal configurations are analyzed. The typical tunneling currents are of the order of 50 nA for voltages up to 1 V. At higher bias, where resonant transport through the molecular states is possible, the current is of the order of several $mu$A. Below 1 V the currents associated to the different nucleotides are consistently distinguishable, with adenine having the largest current, guanine the second-largest, cytosine the third and finally thymine the smallest. We further calculate the transmission coefficient profiles as the nucleotides are dragged along the DNA translocation path and investigate the effects of configurational variations. Based on these results we propose a DNA sequencing protocol combining three possible data analysis strategies.
We identified different nano-carbon species such as graphene nanoplatelets, graphite flakes and carbon nanotubes dispersed in N-methyl-2-pyrrolidone using a novel sensor structure based on a deep silicon barrier working as a photoelectrical transducer. Each nano-carbon particle has specific signature in both 2D photocurrent distribution and photocurrent dependences on bias changing surface band-bending. Additionally, all nano-carbon particles have characteristic features in the time-dependent evolution of photocurrent. The obtained results can be explained by the influence of nano-carbon molecules local electric field on the recombination parameters of defect centers on the silicon surface.
We report on experiments performed in vacuum and at cryogenic temperatures on a tri-port nano-electro-mechanical (NEMS) device. One port is a very non-linear capacitive actuation, while the two others implement the magnetomotive scheme with a linear input force port and a (quasi-linear) output velocity port. We present an experimental method enabling a full characterization of the nanomechanical device harmonic response: the non-linear capacitance function $C(x)$ is derived, and the normal parameters $k$ and $m$ (spring constant and mass) of the mode under study are measured through a careful definition of the motion (in meters) and of the applied forces (in Newtons). These results are obtained with a series of purely electric measurements performed without disconnecting/reconnecting the device, and rely only on known DC properties of the circuit, making use of a thermometric property of the oscillator itself: we use the Young modulus of the coating metal as a thermometer, and the resistivity for Joule heating. The setup requires only three connecting lines without any particular matching, enabling the preservation of a high impedance NEMS environment even at MHz frequencies. The experimental data are fit to a detailed electrical and thermal model of the NEMS device, demonstrating a complete understanding of its dynamics. These methods are quite general and can be adapted (as a whole, or in parts) to a large variety of elecromechanical devices.
Honeycomb structures of group IV elements can host massless Dirac fermions with non-trivial Berry phases. Their potential for electronic applications has attracted great interest and spurred a broad search for new Dirac materials especially in monolayer structures. We present a detailed investigation of the beta 12 boron sheet, which is a borophene structure that can form spontaneously on a Ag(111) surface. Our tight-binding analysis revealed that the lattice of the beta 12-sheet could be decomposed into two triangular sublattices in a way similar to that for a honeycomb lattice, thereby hosting Dirac cones. Furthermore, each Dirac cone could be split by introducing periodic perturbations representing overlayer-substrate interactions. These unusual electronic structures were confirmed by angle-resolved photoemission spectroscopy and validated by first-principles calculations. Our results suggest monolayer boron as a new platform for realizing novel high-speed low-dissipation devices.
Solid state qubits from paramagnetic point defects in solids are promising platforms to realize quantum networks and novel nanoscale sensors. Recent advances in materials engineering make possible to create proximate qubits in solids that might interact with each other, leading to electron spin/charge fluctuation. Here we develop a method to calculate the tunneling-mediated charge diffusion between point defects from first principles, and apply it to nitrogen-vacancy (NV) qubits in diamond. The calculated tunneling rates are in quantitative agreement with previous experimental data. Our results suggest that proximate neutral and negatively charged NV defect pairs can form an NV--NV molecule. A tunneling-mediated model for the source of decoherence of the near-surface NV qubits is developed based on our findings on the interacting qubits in diamond.
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