Related papers: Cobalt Binary Compounds for Advanced Interconnect …
Covalent-organic frameworks (COFs) are intriguing platforms for designing functional molecular materials. Here, we present a computational study based on van der Waals dispersion-corrected hybrid density functional theory (DFT-D) to design…
The identification of alternatives to the Lithium-ion battery architecture remains a crucial priority in the diversification of energy storage technologies. Accompanied by the low reduction potential of $\mathrm{Ca^{2+}/Ca}$, -2.87 V vs.…
A search for new topological quantum systems is challenging due to the requirement of non{trivial band connectivity that leads to protected surface states of electrons. A progress in this field was primarily due to a realization of band…
Modularity is a promising approach for scaling up quantum computers and therefore integrating higher qubit counts. The essence of such architectures lies in their reliance on high-fidelity and fast quantum state transfers enabled by…
Significant improvements in superconducting qubit coherence times have been achieved recently with three-dimensional microwave waveguide cavities coupled to transmon qubits. While many of the measurements in this direction have utilized…
Calcium batteries (CBs) are potential next-generation energy storage devices, offering a promising alternative to lithium-ion batteries due to their theoretically high energy density, better safety, and lower costs associated with the…
The flurry of theoretical and experimental studies following the report of room-temperature superconductivity at ambient pressure in Cu-substituted lead apatite Cu$_x$Pb$_{10-x}$(PO$_4$)$_6$O (`LK99') have explored whether and how this…
Within a first principles framework, we study the electronic structure of the recently synthesized polymeric coordination compound Cu(II)-2,5-bis(pyrazol-1-yl)-1,4-dihydroxybenzene (CuCCP), which has been suggested to be a good realization…
We develop a DFT screening procedure for copper-substituted lead apatites of the composition Pb$_9$Cu(XO$_4$)$_6$Y that enforces three design rules: thermodynamic stability, Cu site preference, and symmetry robustness of the near-Fermi…
The high contact resistance between MoS$_2$ and metals hinders its potential as an ideal solution for overcoming the short channel effect in silicon-based FETs at sub-3nm scales. We theoretically designed a MoS$_2$-based transistor,…
We propose a system of coupled microring resonators for the generation frequency combs and dissipative Kerr solitons in silicon at telecommunication frequencies. By taking advantage of structural slow-light, the effective non-linearity of…
Bilayer borophene, very recently synthesized on Ag and Cu, possesses extremely flat large surface and excellent conductivity. Besides, the van der Waals gap of bilayer borophene can be intercalated by metal atoms, thereby tailoring the…
We present differential conductance measurements of Cobalt / Cobalt-Oxide / Indium planar junctions, 500nm x 500nm in size. The junctions span a wide range of barriers, from very low to a tunnel barrier. The characteristic conductance of…
Compared to traditional superhard materials with high electron density and strong covalent bonds, alloy materials mainly composed of metallic bonding structures typically have great toughness and lower hardness. Breaking through the limits…
A model is presented for two-dimensional superconductivity at semiconductor-on-metal interfaces mediated by Coulomb interactions between electronically-active interface charges in the semiconductor and screening charges in the metal. The…
Magnetic Tunnel Junctions whose basic element consists of two ferromagnetic electrodes separated by an insulating non-magnetic barrier have become intensely studied and used in non-volatile spintronic devices. Since ballistic tunnel of…
The creation of disordered hyperuniform materials with potentially extraordinary optical properties requires a capacity to synthesize large samples that are effectively hyperuniform down to the nanoscale. Motivated by this challenge, we…
Protected surface states arising from non-trivial bandstructure topology in semimetals can potentially enable new device functionalities in compute, memory, interconnect, sensing, and communication. This necessitates a fundamental…
Intermetallic compounds are key materials for energy transition as they form reversible hydrides that can be used for solid state hydrogen storage or as anodes in batteries. ABy compounds (A = Rare Earth (RE); B = transition metal; 2 < y <…
The advantages introduced by carbon fiber reinforced polymer (CFRP) composites has made them an appropriate choice in many applications and an ideal replacement for conventional materials. The benefits using CFRP composites are due to their…