相关论文: Dynamic Nuclear Polarization in Battery Materials
The worldwide developments of electric vehicles, as well as large-scale or grid-scale energy storage to compensate the intermittent nature of renewable energy generation has generated a surge of interest in battery technology. Understanding…
Polarization transfers are crucial building blocks in magnetic resonance experiments, i.e., they can be used to polarize insensitive nuclei and correlate nuclear spins in multidimensional NMR spectroscopy. The polarization can be…
We use dynamic nuclear polarization (DNP) enhanced nuclear magnetic resonance (NMR) at liquid helium temperatures to directly detect hydrogen attached to the surface of silicon microparticles. The proton NMR spectrum from a dry sample of…
One of solution-state Nuclear Magnetic Resonance (NMR)'s main weaknesses, is its relative insensitivity. J-driven Dynamic Nuclear Polarization (JDNP) was recently proposed for enhancing the sensitivity of solution-state NMR, by bypassing…
Nuclear magnetic resonance (NMR) spectroscopy is a widely used tool for chemical analysis and molecular structure identification. Because it typically relies on the weak magnetic fields produced by a small thermal nuclear spin polarization,…
Understanding the solvation structure of electrolytes is critical for optimizing the electrochemical performance of rechargeable batteries, as it directly influences properties such as ionic conductivity, viscosity, and electrochemical…
Dynamical nuclear polarisation (DNP) is an important technique that uses polarisation transfer from electron to nuclear spins to achieve nuclear hyperpolarisation. As the electron spin of the nitrogen vacancy (NV) centres in diamond can be…
Electric dipole moment (EDM) measurements using paramagnetic molecules have significantly advanced over the last decade. Traditionally, these experiments have been analyzed in terms of the electron EDM. However, paramagnetic molecules are…
Machine learning (ML) techniques have rapidly found applications in many domains of materials chemistry and physics where large data sets are available. Aiming to accelerate the discovery of materials for battery applications, in this work,…
The ever-increasing demand for high-capacity rechargeable batteries highlights the need for sensitive and accurate diagnostic technology for determining the state of a cell, for identifying and localizing defects, or for sensing capacity…
Many positive electrode materials in lithium ion batteries include transition metals which are difficult to describe by electronic structure methods like density functional theory (DFT) due to the presence of multiple oxidation states. A…
Porous carbonaceous materials have many important industrial applications including energy storage, water purification, and adsorption of volatile organic compounds. Most of their applications rely upon the adsorption of molecules or ions…
Uncontrollable dendrites growth during electrochemical cycles leads to low Coulombic efficiency and critical safety issues in Li metal batteries. Hence, a comprehensive understanding of the dendrite formation mechanism is essential for…
The neutrino dipole portal (NDP) is a minimal and predictive extension of the Standard Model, in which a transition magnetic moment operator couples an active neutrino to a heavy neutral lepton via the electromagnetic field. This…
Signal reception of nuclear magnetic resonance (NMR) usually relies on electrical amplification of the electromotive force caused by nuclear induction. Here, we report up-conversion of a radio-frequency NMR signal to an optical regime using…
Dynamic nuclear polarization (DNP) can increase nuclear magnetic resonance (NMR) signals by orders of magnitude. DNP in diamond proceeds through different DNP mechanisms with a possible temperature-dependence. We report on 13C dynamic…
Dynamic nuclear spin polarization (DNP) mediated by paramagnetic point defects in semiconductors is a key resource for both initializing nuclear quantum memories and producing nuclear hyperpolarization. DNP is therefore an important process…
Solid-state nanopores have received substantial attention in the past years owing to their simplicity and potential applications expected in genomics, sensing, archival information storage, and computing. The underlying sensing technique of…
We present a general procedure to introduce electronic polarization into classical Molecular Dynamics (MD) force-fields using a Neural Network (NN) model. We apply this framework to the simulation of a solid-liquid interface where the…
The electric dipole polarizability $\alpha_D$ and the neutron skin thickness $\Delta R_{np}$ of $^{208}\mathrm{Pb}$ are two powerful and clean probes to constrain the symmetry energy at subsaturation density. Within the framework of the…