Related papers: Correlation between spin state and activity for hy…
To clarify a crucial role of a spin-orbit coupling in the emergence of novel spin-orbital states in $5d$-electron compounds such as Sr$_{2}$IrO$_{4}$, we investigate ground state properties of a $t_{\rm 2g}$-orbital Hubbard model on a…
We present a systematical study on the roles of electron correlation and spin-orbit coupling in the isovalent Pd-doped superconductor SrPt$_3$P. By using solid state reaction method, we fabricated the strong spin-orbit coupling…
The interplay between spin and orbital degrees of freedom gives rise to a variety of emergent phases in correlated 4d and 5d transition-metal systems. Strong spin-orbit coupling (SOC) significantly alters Jahn-Teller (JT) physics, often…
Topological states of matter and their corresponding properties are classical research topics in condensed matter physics. Quite recently, the application of materials that feature these states has been extended to the field of…
The spin-dynamics of two alkali atoms in an optical tweezer is driven by spin-changing collisions that couple the spin-state of the atoms to their relative motion. This paper experimentally studies the resulting spin-states when the…
The spin temperature of neutral hydrogen, which determines the 21 cm optical depth and brightness temperature, is set by the competition between radiative and collisional processes. In the high-redshift intergalactic medium, the dominant…
When investigating the mode of hydrogen activation by [Fe] hydrogenases, not only the chemical reactivity at the active site is of importance but also the large-scale conformational change between the so-called open and closed…
We investigate the effects of inhomogeneities on spin entanglement in many-electron systems from an ab-initio approach. The key quantity in our approach is the local spin entanglement length, which is derived from the local concurrence of…
Electron transfer (ET) in biological molecules such as peptides and proteins consists of electrons moving between well defined localized states (donors to acceptors) through a tunneling process. Here we present an analytical model for ET by…
Spin-orbit coupling (SOC) is pivotal for various fundamental spin-dependent phenomena in solids and their technological applications. In semiconductors, these phenomena have been so far studied in relatively weak electron-electron…
Designing electrocatalysts for HER in alkaline conditions to overcome the sluggish kinetics associated with the additional water dissociation step is a recognized challenge in promoting the hydrogen economy. To this end, delicately tuning…
Electrocatalytic hydrogen evolution reaction (HER) in alkaline media is a promising electrochemical energy conversion strategy. Ruthenium (Ru) is an efficient catalyst with a desirable cost for HER, however, the sluggish H2O dissociation…
Platinum is a nearly perfect catalyst for the hydrogen evolution reaction, and its high activity has conventionally been explained by its close-to-thermoneutral hydrogen binding energy (G~0). However, many candidate non-precious metal…
Chemical activation of the intrinsically inert basal planes of transition metal dichalcogenides (TMDs) is crucial for developing high-efficiency electrocatalysts for energy technology applications. Here we report the discovery of an…
Energy- and resource-efficient electrocatalytic water splitting is of paramount importance to enable sustainable hydrogen production. The best bulk catalyst for the hydrogen evolution reaction (HER), i.e., platinum, is one of the scarcest…
This work is a sequel to our work "The Spin Density Matrix I: General Theory and Exact Master Equations" (eprint arXiv:0708.0644 [cond-mat]). Here we compare pure- and pseudo-spin dynamics using as an example a system of two quantum dots, a…
Platinum, to date, is the most widely applied electrocatalyst for hydrogen evolution reaction (HER) in acidic media. It is assumed to be a proton-blocking catalyst with only surface-limited adsorption of the reaction intermediates. Here, we…
New insights into our understanding of the semirelativistic excitation of atomic hydrogen by electronic impact have been made possible by combining the use of polarized electron beams and intense laser field. The paper reviews relativistic…
Spin-orbit interactions lead to small energy gaps between the outer-most $p_{1/2}$ and $p_{3/2}$ shells of noble gas atoms. Strong-field pulses tunnel-ionize an electron out of either shell resulting in spin-orbit-driven hole motion. These…
By going beyond Hubbard Hamiltonian we reflected correlation effects accurately in the wavefunctions of H2. Using ab initio e-e interaction parameters resulted maximally entangled ground and third excited states. We assigned this maximally…