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In this paper we investigate the spin currents and the von Neumann entropy (vNE) of a Heisenberg XXZ chain in contact with twisted XY-boundary magnetic reservoirs by means of the Lindblad master equation. Exact solutions for the stationary reduced density matrix are explicitly constructed for chains of small sizes by using a quantum symmetry operation of the system. These solutions are then used to investigate the optimal transport in the chain in terms of the vNE. As a result we show that the maximal spin current always occurs in the proximity of minima of the vNE and for particular choices of parameters (coupling with reservoirs and anisotropy) it can exactly coincide with them. As the coupling is increased, current reversals may occur and in the limit of strong coupling we show that minima of the vNE tend to zero, meaning that the maximal transport is achieved in this case with states that are very close to pure states.
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http://dx.doi.org/10.1103/PhysRevE.87.022108 | DOI Listing |
J Am Chem Soc
September 2025
State Key Laboratory of Supramolecular Structure and Materials, College of Chemistry, Jilin University, Changchun 130012, China.
Metal-organic frameworks (MOFs) are distinguished by their structural diversity, tunable electronic properties, and exceptional performance in various applications. Notably, the electron-donating ability of ligands significantly enhances the ligand-to-metal charge transfer (LMCT) processes within these frameworks, thereby promoting efficient charge migration. Herein, we developed two electron-rich macrocyclic ligands derived from phenothiazine- and phenoxazine-functionalized calix[3]arenes, alongside their corresponding cobalt-coordinated MOFs.
View Article and Find Full Text PDFNano Lett
September 2025
State Key Laboratory of Materials Low-Carbon Recycling, College of Materials Science and Engineering, Beijing University of Technology, Beijing 100124, P. R. China.
Two-dimensional (2D) nanofluidic architectures with nanoconfined interlayer channels and excess surface charges have revolutionized membrane-based reverse electrodialysis systems, demonstrating highly efficient osmotic energy collection through strong electrostatic screening of electric double layer (EDL). However, the ion-transport dynamics in 2D nanofluidic anion-selective membranes (2D-NAMs) still remain unexplored. Here, we combine density functional theory and molecular dynamics (MD) simulations to systematically explore ion transport in the 2D-NAMs.
View Article and Find Full Text PDFAdv Mater
September 2025
Guangdong Provincial Key Laboratory of Optical Information Materials and Technology & Institute of Electronic Paper Displays, South China Academy of Advanced Optoelectronics, South China Normal University, Guangzhou, 510006, P. R. China.
Establishing a low-resistance perovskite/ITO contact using self-assembled molecules (SAMs) is crucial for efficient hole transport in perovskite solar cells (PSCs) without a pre-deposited hole-transporting layer. However, SAMs at the buried interface often encounter issues like nonuniform distribution and molecular aggregation during the extrusion process, leading to significant energy loss. Herein, a molecular hybrid bridging strategy by incorporating a novel small molecule is proposed, (2-aminothiazole-4-yl)acetic acid (ATAA), featuring a thiazole ring and carboxylic acid group, along with the commonly used SAM, 4-(2,7-dibromo-9,9-dimethylacridin-10(9H)-yl)butyl)phosphonic acid (DMAcPA), into the perovskite precursor to synergistically optimize the buried interface.
View Article and Find Full Text PDFInt J Vitam Nutr Res
August 2025
Department of Pharmaceutical Technology, Faculty of Pharmacy, University of Dhaka, 1000 Dhaka, Bangladesh.
Diabetes mellitus (DM) is a chronic metabolic disorder characterized by persistent hyperglycemia and associated with severe complications, including cardiovascular diseases, neuropathy, nephropathy, and retinopathy. Although synthetic antidiabetic drugs are available, the side effects and limited long-term effectiveness of these medications highlight the urgent need for safer, more potent alternative therapies. L.
View Article and Find Full Text PDFACS Omega
September 2025
Dept. of Electrical and Electronic Engineering, Noakhali Science and Technology University, Noakhali 3814, Bangladesh.
Perovskite solar cells (PSCs) are rapidly advancing due to their high power conversion efficiencies (PCEs) and low fabrication costs. However, their commercialization is hindered by lead toxicity and the use of expensive materials, such as Spiro-OMeTAD and gold electrodes. This study presents a comprehensive SCAPS-1D simulation-based analysis of 14 perovskite absorber materials, spanning both Pb-based and lead-free compounds, under a unified device architecture using low-cost, nontoxic components: ZnO as the electron transport material (ETM), PEDOT:PSS + WO as a dual hole transport material, and nickel as the back contact.
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