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This paper demonstrates the first beam resonators fabricated from bulk high purity semi-insulating 4H Silicon Carbide wafers (HPSI 4H-SiC). Our innovations include: (1) Multi-level front-side, back-side inductively coupled plasma-deep…
We have integrated density functional theory (DFT) into quantitative convergent-beam electron diffraction (QCBED) to create a synergy between experiment and theory called QCBED-DFT. This synergy resides entirely in the electron density…
In search of the potential cathode materials for sodium-ion batteries and to understand the diffusion kinetics, we report the detailed analysis of electrochemical investigation of honeycomb structured Na$_{2}$Ni$_{2}$TeO$_{6}$ material…
Li+ transport within a solid electrolyte interphase (SEI) in lithium ion batteries has challenged molecular dynamics (MD) studies due to limited compositional control of that layer. In recent years, experiments and ab initio simulations…
Based on our formulation of the DNA electrophoresis near a pore [P. Rowghanian and A. Y. Grosberg, Phys. Rev. E 87, 042723 (2013)], we address the electrophoretic DNA capture into a nanopore as a steady-state process of particle absorption…
The finding of droplet-based electricity generator (DEG), based on the moving boundary of electrical double layer, has triggered great research enthusiasm, and a breakthrough in instantaneous electric power density was achieved recently.…
Key to future spintronics and spin-based information processing technologies is the generation, manipulation, and detection of spin polarization in a solid state platform. Here, we theoretically explore an alternative route to spin…
Millions of sensors, cameras, meters, and other edge devices are deployed in networks to collect and analyse data. In many cases, such devices are powered only by Energy Harvesting(EH) and have limited energy available to analyse acquired…
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exact Embedding (EE) method [J. Chem. Phys. 133, 084103 (2010)]…
We present the results of a theoretical study of a four-level atomic system in vee + ladder configuration using a density matrix analysis. The absorption and dispersion profiles are derived for a weak probe field and for varying strengths…
Wearable thermoelectric devices show promises to generate electricity in a ubiquitous, unintermittent and noiseless way for on-body applications. Three-dimensional thermoelectric textiles (TETs) outperform other types in smart textiles…
Recent advances in fabrication have enabled radial-junction architectures for cost-effective and high-performance optoelectronic devices. Unlike a planar PN junction, a radial-junction geometry maximizes the optical interaction in the…
Origin of aggregation-induced enhanced emission (AIEE) is investigated considering cyano-substituted 1,2-bis(pyridylphenyl)ethene (CNPPE) as an example. On the basis of ONIOM calculations using the time-dependent density functional theory…
Given the growing significance of 2D materials in various optoelectronic applications, it is imperative to have simulation tools that can accurately and efficiently describe electron correlation effects in these systems. Here, we show that…
We consider the elastic scattering of two open strings living on two D-branes separated by a distance $r$. We compute the high-energy behavior of the amplitude, to leading order in string coupling, as a function of the scattering angle…
Relativistic close coupling calculations are reported for unified electronic recombination of (e + C IV) including non-resonant and resonant recombination processes, radiative and dielectronic recombination (RR and DR). Detailed comparison…
Bearings are critical components in industrial machinery, yet their vulnerability to faults often leads to costly breakdowns. Conventional fault detection methods depend on continuous, high-frequency vibration sensing, digitising, and…
In simulations of metallic interfaces, a critical aspect of metallic behavior is missing from the some of the most widely used classical molecular dynamics force fields. We present a modification of the embedded atom method (EAM) which…
The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. Microstructural design can be leveraged to…
Piezoelectric Energy Harvesters (PEH) are usually used to convert mechanical energy (vibration, shocks) into electrical energy, in order to supply energy-autonomous sensor nodes in industrial, biomedical or domotic applications. Non-linear…