Results 51 to 60 of about 127,950 (297)
Nanomaterials, 2022 Iron-containing oxides are the most important functional substance class and find a tremendous variety of applications. An attractive modern application is their use in biomedical technologies as components in systems for imaging, drug delivery ...
Tatiana Kiseleva +13 more
doaj +1 more source
Density Matrix Renormalization Group Lagrangians [PDF]
, 2008 We introduce a Lagrangian formulation of the Density Matrix Renormalization Group (DMRG). We present Lagrangians which when minimised yield the optimal DMRG wavefunction in a variational sense, both within the general matrix product ansatz, as well as ...
Chan, Garnet Kin-Lic
core +1 more source
Numerical Simulation Based Targeting of the Magushan Skarn Cu-Mo Deposit, Middle-Lower Yangtze Metallogenic Belt, China [PDF]
, 2019 The Magushan Cu–Mo deposit is a skarn deposit within the Nanling–Xuancheng mining district of the Middle-Lower Yangtze River Metallogenic Belt (MLYRMB), China.
Dai, Wenqiang +8 more
core +2 more sources
Superionic Amorphous Li2ZrCl6 and Li2HfCl6
Advanced Materials, EarlyView.Amorphous Li2HfCl6 and L2ZrCl6 are shown to be promising solid‐state electrolytes with predicted ionic conductivities >20 mS·cm−1. Molecular dynamics simulations with machine‐learning force fields reveal that anion vibrations and flexible MCl6 octahedra soften the Li coordination cage and enhance mobility. Correlation between Li‐ion diffusivity and the
Shukai Yao, De‐en Jiang
wiley +1 more source
Photonics, 2023 Two series of (Gd, Y, Yb)3Al2Ga3O12 quintuple compounds with a garnet structure and solely doped with Ce and Tb were prepared in the form of ceramics by sintering in oxygen at 1600 °C for two hours and studied for the interaction of activator ions with ...
Valery Dubov +9 more
doaj +1 more source
Advanced Materials Interfaces, EarlyView.Interfacial charge transfer and low‐resistance interphase formation between PEO‐based polymer and Li10GeP2S12 solid electrolytes are investigated using multi‐electrode impedance spectroscopy and advanced analytical techniques such as XPS and ToF‐SIMS.
Ujjawal Sigar +6 more
wiley +1 more source
2D Metal‐Organic Frameworks for High‐Performance Solid‐State Electrolytes: A Comprehensive Review
Advanced Science, EarlyView.In this review, we elucidate the intrinsic advantages, synthetic methodologies, structural characteristics, ion‐transport mechanisms and performance optimization strategies while highlighting representative material systems and applications of 2D MOFs for electrolyte applications.
Changchun Ai +8 more
wiley +1 more source
Supersymmetry and the Hartmann Potential of Theoretical Chemistry
, 1996 The ring-shaped Hartmann potential $ V = \eta \sigma^{2} \epsilon_{0} \left( \frac{2 a_{0}}{r} - \frac{\eta a_{0}^{2}}{r^{2} sin^{2} \theta} \right) $ was introduced in quantum chemistry to describe ring-shaped molecules like benzene.
Blado, Gardo Garnet
core +2 more sources
Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature [PDF]
, 2018 We implement and apply time-dependent density matrix renormalization group (TD-DMRG) algorithms at zero and finite temperature to compute the linear absorption and fluorescence spectra of molecular aggregates.
Chan, Garnet Kin-Lic +2 more
core +3 more sources
Vacancy‐Suppressed Garnet Electrolytes for Durable Solid‐State Batteries
Advanced Science, EarlyView.A Li/O‐rich sintering strategy effectively suppresses intrinsic lithium and oxygen vacancies in cubic garnet electrolytes, yielding a dense and stable microstructure. The vacancy‐controlled electrolyte exhibits enhanced interfacial and air stability, enabling long‐term solid‐state battery cycling and providing a general design principle for defect ...
Seokjae Hong +20 more
wiley +1 more source