Publications

Displaying 1 - 25 of 59

Synaptic-Like Plasticity in 2D Nanofluidic Memristor from Competitive Bicationic Transport

November 6, 2024

Author(s)

Yechan Noh, Alex Smolyanitsky

Synaptic plasticity, the dynamic tuning of communication strength between neurons, serves as a fundamental basis for memory and learning in biological organisms. This adaptive nature of synapses is considered one of the key features contributing to the

Stretch-inactivated ion transport through subnanoporous two-dimensional membranes

October 3, 2024

Author(s)

Yechan Noh, Alex Smolyanitsky

In biology, mechanosensitive ion channels facilitate the conversion of mechanical stimuli, such as sound and touch, into electrical signals. Similar functionality in artificial systems was recently predicted in the form of stretch-activated transport

Memristive Response and Capacitive Spiking in Aqueous Ion Transport through Two-Dimensional Nanopore Arrays

January 11, 2024

Author(s)

Yechan Noh, Alex Smolyanitsky

In living organisms, information is processed in interconnected symphonies of ionic currents spiking through protein ion channels. As a result of dynamic switching of their conductive states, ion channels exhibit a variety of current–voltage nonlinearities

High-Throughput Nanopore Fabrication and Classification Using Xe-Ion Irradiation and Automated Pore-Edge Analysis

September 26, 2022

Author(s)

Michal Macha, Sanjin Marion, Mukesh Tripathi, Martina Lihter, Alex Smolyanitsky, Andras Kis, Aleksandra Radenovic

Large-area nanopore drilling is a major bottleneck in state-of-the-art nanoporous 2D membrane fabrication protocols. In addition, high-quality structural and statistical descriptions of as-fabricated porous membranes are key to predicting the corresponding

Nanopores in Atomically Thin 2D Nanosheets Limit Aqueous Single-Stranded DNA Transport

September 24, 2021

Author(s)

Alexander Smolyanitsky, Binquan Luan

Nanopores in 2D materials are highly desirable for DNA sequencing, yet achieving single-stranded DNA (ssDNA) transport through them is challenging. Using density functional theory calculations and molecular dynamics simulations we show that ssDNA transport

Origin and control of ionic hydration patterns in nanopores

June 18, 2021

Author(s)

Miraslau L. Barabash, William A. Gibby, Carlo Guardiani, Alexander Smolyanitsky, Dmitry G. Luchinsky, Peter V. McClintock

In order to permeate a nanopore, an ion must overcome a dehydration energy barrier caused by the redistribution of surrounding water molecules. The redistribution is inhomogeneous, anisotropic and strongly position-dependent, resulting in complex patterns

Field-induced dehydration and optimal ionic escape paths for C2N membranes

June 11, 2021

Author(s)

Miroslav Barabash, William Gibby, Dmitry Luchinsky, Binquan Luan, Alexander Smolyanitsky, Peter McClintock

Most analytic theories describing electrostatically driven ion transport through water-filled nanopores assume that the corresponding permeation barriers are bias-independent. While this assumption may hold for sufficiently wide pores under infinitely

Ion transport across solid-state ion channels perturbed by directed strain

April 28, 2020

Author(s)

Alex Smolyanitsky, Alta Y. Fang, Andrei F. Kazakov, Eugene Paulechka

We combine quantum-chemical calculations and molecular dynamics simulations to consider aqueous ion flow across non-axisymmetric nanopores in monolayer graphene and MoS2. When the pore-containing membrane is subject to uniaxial tensile strains applied in

Large variations in the composition of ionic liquid-solvent mixtures in nanoscale confinement

July 9, 2019

Author(s)

Alta Y. Fang, Alexander Y. Smolyanitsky

Mixtures of an ionic liquid with an organic solvent are widely used as electrolytes in supercapacitors, where they are often confined in porous electrodes with pore widths only slightly larger than the sizes of bare ion or solvent molecules. The

Mechanosensitive ion permeation across sub-nanoporous MoS2 monolayers

January 23, 2019

Author(s)

Alta Y. Fang, Kenneth Kroenlein, Alex Smolyanitsky

We use all-atom molecular dynamics simulations informed by density functional theory calculations to investigate aqueous ion transport across subnanoporous monolayer molybdenum disulfide (MoS2) membranes subject to varying tensile strains. Driven by a

Simulation study of the capacitance and charging mechanisms of ionic liquid mixtures near carbon electrodes

January 4, 2019

Author(s)

Alta Y. Fang, Alexander Y. Smolyanitsky

The performance of electric double layer capacitors is strongly influenced by the choice of electrolyte, and electrolytes comprised of ionic liquid mixtures have shown promise for enabling high energy densities. Here we perform all-atom molecular dynamics

Highly mechanosensitive ion channels from graphene-embedded crown ethers

November 26, 2018

Author(s)

Alta Y. Fang, Kenneth Kroenlein, Demian Riccardi, Alex Smolyanitsky

The ability to tune ionic permeation across nanoscale pores profoundly impacts diverse fields from nanofluidic computing to drug delivery. Here, we take advantage of complex formation between crown ethers and dissolved metal ions to demonstrate graphene

Aqueous Ion trapping and transport in graphene-embedded 18-crown-6 ether pores

June 25, 2018

Author(s)

Alex Smolyanitsky, Eugene Paulechka, Kenneth Kroenlein

Using extensive room-temperature molecular dynamics simulations, we investigate selective aqueous cation trapping and permeation in graphene-embedded 18-crown-6 ether pores. We show that in the presence of suspended water-immersed crown-porous graphene, K+

Communication: Relaxation-limited electronic currents in extended reservoir simulations

October 13, 2017

Author(s)

Daniel S. Gruss, Alexander Y. Smolyanitsky, Michael P. Zwolak

Open system approaches are gaining traction in the simulation of charge transport in nanoscale and molecular electronic devices. In particular, "extended reservoir" simulations, where explicit reservoir degrees of freedom are present, allow for the

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