The electronic structure of the honeycomb lattice iridates Na(2)IrO(3) and Li(2)IrO(3) has been investigated using resonant inelastic x-ray scattering (RIXS). Crystal-field-split d-d excitations are resolved in the high-resolution RIXS spectra. In particular, the splitting due to noncubic crystal fields, derived from the splitting of j(eff)=3/2 states, is much smaller than the typical spin-orbit energy scale in iridates, validating the applicability of j(eff) physics in A(2)IrO(3). We also find excitonic enhancement of the particle-hole excitation gap around 0.4 eV, indicating that the nearest-neighbor Coulomb interaction could be large. These findings suggest that both Na(2)IrO(3) and Li(2)IrO(3) can be described as spin-orbit Mott insulators, similar to the square lattice iridate Sr(2)IrO(4).
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http://dx.doi.org/10.1103/PhysRevLett.110.076402 | DOI Listing |
J Fluoresc
January 2025
Department of Physics \ Collage of Sciences, University of Kufa, Najaf, Iraq.
This research utilizes density functional theory to investigate the ground and excited-state properties of a new series of organic dyes with D-π-A configurations (D1-D6) for their potential application in dye-sensitized solar cells. The study focuses on modifying these dyes using various functional groups as π-bridges to optimize their electronic properties and improve their efficiency as sensitizers in DSSCs. The frontier molecular orbitals (HOMO and LUMO) were analysed to evaluate electron transfer properties.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
College of Computer Science and Technology, Xi'an University of Science and Technology, Xi'an 710054, China.
Soft and stretchable strain sensors are crucial for applications in human-machine interfaces, flexible robotics, and electronic skin. Among these, capacitive strain sensors are widely used and studied; however, they face challenges due to material and structural constraints, such as low baseline capacitance and susceptibility to external interference, which result in low signal-to-noise ratios and poor stability. To address these issues, we propose a U-shaped electrode flexible strain sensor based on liquid metal elastomer (LME).
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
State Key Laboratory of Fine Chemicals, Research and Development Center of Membrane Science and Technology, School of Chemical Engineering, Dalian University of Technology, Dalian 116024, China.
The electrocatalytic nitrogen reduction reaction (eNRR) is an attractive strategy for the green and distributed production of ammonia (NH); however, it suffers from weak N adsorption and a high energy barrier of hydrogenation. Atomically dispersed metal dual-site catalysts with an optimized electronic structure and exceptional catalytic activity are expected to be competent for knotty hydrogenation reactions including the eNRR. Inspired by the bimetallic FeMo cofactor in biological nitrogenase, herein, an atomically dispersed FeMo dual site anchored in nitrogen-doped carbon is proposed to induce a favorable electronic structure and binding energy.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Scuola Superiore Meridionale, Napoli, Italy.
Light-driven molecular rotary motors are nanometric machines able to convert light into unidirectional motions. Several types of molecular motors have been developed to better respond to light stimuli, opening new avenues for developing smart materials ranging from nanomedicine to robotics. They have great importance in the scientific research across various disciplines, but a detailed comprehension of the underlying ultrafast photophysics immediately after photo-excitation, that is, Franck-Condon region characterization, is not fully achieved yet.
View Article and Find Full Text PDFCrit Rev Anal Chem
January 2025
Department of Chemistry, Government Degree College, Doda, India.
This review article highlights the importance of novel charge transfer (CT) sensing approach for the detection of ions which are crucial from environmental and biological point of view. The importance, principles of charge transfer, ion sensing, its different types, and its basic process will all be covered here. The strategy has been reported with enormous sensitivity and fast signaling response owing to the fact that strong electronic connection communication exists between donor (D) and acceptor (A) part.
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