相关论文: Active-Spin-State-Derived Descriptor for Hydrogen …
The low-temperature spin dynamics of doped manganites have been analyzed within a tight-binding model, the parameters of which are estimated by mapping the results of ab initio density functional calculations onto the model. This approach…
Hydrogen electrocatalysis (HER/HOR) exhibits an anomalous, non-Nernstian pH dependence that has motivated competing mechanistic narratives yet still lacks a unified, transferable, and quantitatively predictive description across conditions.…
The rational design of transition metal dichalcogenide electrocatalysts for efficiently catalyzing hydrogen evolution reaction (HER) is believed to lead to the generation of a renewable energy carrier. To this end our work has made three…
The new generation of proposed light-emitting molecules for OLEDs has raised a considerable research interest due to its exceptional feature-a negative singlet-triplet (ST) gap violating the Hund's multiplicity rule in the excited S1 and T1…
An accurate expression of the kinetic energy density of an electronic distribution in terms of the single particle reduced density matrix for atomic and molecular systems is a long-standing problem in electron structure theory. Existing…
We examine the quantum spin state of a single nitrogen-vacancy (NV) center in diamond at room temperature as it makes a transition from the orbital ground-state (GS) to the orbital excited-state (ES) during non-resonant optical excitation.…
Here, we propose a two-dimensional tungsten boride (WB4) lattice, with the Gibbs free energy for the adsorption of atomic hydrogen, tending to be the ideal value of 0 eV at 3% strained state, to host a better hydrogen evolution reaction…
The spin temperature of neutral hydrogen, which determines the optical depth and brightness of the 21 cm line, is determined by the competition between radiative and collisional processes. Here we examine the role of proton-hydrogen…
We investigate the spin-squeezing behavior under thermal effects in a one-dimensional transverse field XY model with spin-1/2. The exact solution of the model helps us to compute the spin-squeezing parameter as a function of temperature and…
We consider a spin-1/2 XY chain in a transverse (z) field with multi-site interactions. The additional terms introduced into the Hamiltonian involve products of spin components related to three adjacent sites. A Jordan-Wigner transformation…
Janus type Water-Splitting Catalysts have attracted highest attention as a tool of choice for solar to fuel conversion. AISI Ni 42 steel was upon harsh anodization converted in a bifunctional electrocatalyst. Oxygen evolution reaction-…
We investigate a specific limit of the one-dimensional non-Hermitian Hubbard Hamiltonian with complex interactions. In this framework, fermions with different spin quantum numbers are mapped onto two distinct spin species, resulting in two…
We theoretically investigate spin decoherence of a single nitrogen-vacancy (NV) center in diamond. Using the spin coherent state P-representation method, coherence evolution of the NV center surrounded by nitrogen electron spins (N) is…
This paper presents a theoretical evaluation of spin correlation in the two-proton ($2p$) radioactive emission. The three-body model of $^{6}$Be with the proton-proton interaction, which is adjusted to reproduce the experimental energy…
Carried out in this study is an improved analysis of the measurements of the three pion-nucleon ($\pi N$) reactions, which can be subjected to experimental investigation at low energy (pion laboratory kinetic energy $T \leq 100$ MeV), i.e.,…
Studies of the spin, parity and tensor couplings of the Higgs boson in the $H\rightarrow ZZ^*\rightarrow 4\ell$, $H\rightarrow WW^* \rightarrow e\nu\mu\nu$ and $H\rightarrow \gamma \gamma$ decay processes at the LHC are presented. The…
Efficient and reversible optical to microwave coherent transducers are required to enable entanglement transfer between superconducting qubits and light for quantum networks. Rare-earth-doped crystals that possess narrow optical and spin…
Quantum dynamics of strongly correlated systems is a challenging problem. Although the low energy fractional excitations of one dimensional integrable models are often well-understood, exploring quantum dynamics in these systems remains…
Angular Distributions for the target spin-dependent observables A$_{0y}$, A$_{xx}$, and A$_{yy}$ have been measured using polarized proton beams at several energies between 2 and 6 MeV and a spin-exchange optical pumping polarized $^3$He…
A new decoupling scheme is developed for the Hubbard model which provides a unified description of the spin-symmetric (paramagnetic metallic and insulating) phases as well as the broken-symmetry AFI phase. Independent of magnetic ordering,…