Related papers: Borane Derivatives: A New Class as Super and Hyper…
The usefulness of study of hyperfine splitting in the hydrogen atom is limited on a level of 10 ppm by our knowledge of the proton structure. One way to go beyond 10 ppm is to study a specific difference of the hyperfine structure intervals…
Hydrogen is a promising energy carrier and key agent for many industrial chemical processes1. One method for generating hydrogen sustainably is via the hydrogen evolution reaction (HER), in which electrochemical reduction of protons is…
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 <…
Hydrogen trapping ability of various metal - ethylene complexes has been studied at the B3LYP and MP2 level of theory using the 6-311+G(d,p) basis set. Different global and local reactivity descriptors and the associated electronic…
We show that a muon collider is ideally suited for the study of heavy H/A scalars, cousins of the Higgs boson found in two-Higgs doublet models and required in supersymmetric models. The key aspects of H/A are: (1) they are narrow, yet have…
Recent technological advances in controlling materials have developed methods to produce idealized two-dimensional (2D) electron systems such as heterogeneous interfaces, molecular-beam-epitaxy (MBE) grown atomic layers, exfoliated thin…
Electron-deficient boron clusters are identified as a fundamentally new class of oxygen evolution reaction (OER) catalysts, entirely free of transition metals. Selective sodium extraction from NaAlB14 and Na2B29 via high-pressure diffusion…
During the past few decades, several new classes of superconductors have been discovered. Most of these do not appear to be related to traditional superconductors. As a consequence, it is felt by many that for these materials,…
We present the results of fully-relaxed, full-potential electronic structure calculations for the new superconductor MgB2, and BeB2, NaB2, and AlB2, using density-functional-based methods. Our results described in terms of (i) density of…
Band theory and BCS theory are arguably the most successful theories of condensed matter physics. Yet, in a number of materials, in particular the high-temperature superconductors and the layered organic superconductors, they fail. In these…
Superconducting bismuthates (Ba,K)BiO$_{3}$ (BKBO) constitute an interesting class of superconductors in that superconductivity with a remarkably high $T_\mathrm{c}$ of 30 K arises in proximity to charge density wave (CDW) order. Prior…
Hydrogenation is known to tune superconductivity in a wide range of materials. While its microscopic role has been clarified in phonon-mediated superconductors such as hydrogenated MgB2, LaH10, and H3S, much less is known for hydrogenated…
Two boron-rich chalcogenides B12S and B12Se isostructural to {\alpha}-rhombohedral boron were synthesized by chemical reaction of the elements at high-pressure - high-temperature conditions. The crystal structures and stoichiometries of…
The theory of hole superconductivity explains high temperature superconductivity in cuprates as driven by pairing of hole carriers in oxygen $p\pi$ orbitals in the highly negatively charged $Cu-O$ planes. The pairing mechanism is hole…
In this study, we explore lithium-doped stable molecular hydrogen structures by performing first-principles crystal structure searches across varying compositions in the Li-H system under high pressure. Our search reveals a cubic phase of…
In transition metal dichalcogenides (TMDCs), charge carriers have spin, pseudospin, and valley degrees of freedom associated with magnetic moments. The monolayers and bilayers of the TMDCs, in particular, MoS$_2$, lead strong couplings…
The transition mechanism of metal-insulator in metal oxides is discussed in detail, which is a part of the mechanism of superconductivity. Through the study of magic angle twisted bilayer graphene superconductor and other new findings on…
We present synthetic spectral fits of the typical Type Ib SN 1999dn and the Hydrogen Rich Ib SN 2000H using the generalized non-local thermodynamic equilibrium stellar atmospheres code \phx. We fit model spectra to five epochs of SN 1999dn…
A family of unusually stable boron cages was identified and examined using first-principles local density functional method. The structure of the fullerenes is similar to that of the B12 icosahedron and consists of six crossing…
We report on the emergence of robust superconducting order in single crystal alloys of 2H-TaSe$_{2-x}$S$_{x}$ (0$\leq$x$\leq$2) . The critical temperature of the alloy is surprisingly higher than that of the two end compounds TaSe$_{2}$ and…