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181
Resolving the electronic ground state of La3Ni2O7-δ films
Published 2025-02-01“…An important aspect of investigating electronic structures is discerning the extent to which the electronic ground state of La3Ni2O7-δ resembles the parent state of the cuprate superconductor, a charge transfer insulator with long-range antiferromagnetism. …”
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182
Dependence of Geometric and Spectroscopic Properties of Double-walled Boron Nitride Nanotubes on Interwall Distance
Published 2014-10-01“…The predicted electronic structures for DWBNNTs with cell lengths of one unit exhibit a strong red-shift for the ΔR below ~0.4 nm and remain almost constant for the ΔR > 0.45 nm. …”
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183
Two-dimensional anion-rich NaCl2 crystal under ambient conditions
Published 2025-01-01“…Abstract The two-dimensional (2D) “sandwich” structure composed of a cation plane located between two anion planes, such as anion-rich CrI3, VS2, VSe2, and MnSe2, possesses exotic magnetic and electronic structural properties and is expected to be a typical base for next-generation microelectronic, magnetic, and spintronic devices. …”
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184
Theoretical Insight into the Spectral Characteristics of Fe(II)-Based Complexes for Dye-Sensitized Solar Cells—Part I: Polypyridyl Ancillary Ligands
Published 2011-01-01“…Molecular geometries, electronic structures, and optical absorption spectra are predicted in both the gas phase and methyl cyanide (MeCN) solution. …”
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185
Synthesis and Characterisation of Copper(II) Complexes with Tridentate NNO Functionalized Ligand: Density Function Theory Study, DNA Binding Mechanism, Optical Properties, and Biol...
Published 2014-01-01“…The density function theory calculations are used to investigate the electronic structures and the electronic properties of ligand and complex. …”
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186
Enhancing CO<sub>2</sub> Adsorption on MgO: Insights into Dopant Selection and Mechanistic Pathways
Published 2024-12-01“…In our investigation, we combined first-principles calculations with experimental approaches to explore the crystal and electronic structural changes in MgO doped with high-valence elements (Al, C, Si, and Ti) and their interactions with CO<sub>2</sub>. …”
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187
High-throughput evaluation of half-metallicity of Co2MnSi Heusler alloys using composition-spread films and spin-integrated hard X-ray photoelectron spectroscopy
Published 2025-12-01“…Our experimental results demonstrate that high-throughput evaluation of half-metallicity is possible even with spin-integrated HAXPES by capturing systematic changes in the electronic structures through the measurements on the composition-spread film. …”
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188
How do consumers evaluate buffalo meat?
Published 2023-11-01“…The test was applied electronically, structured in closed, open, and dichotomous questions, to obtain qualitative and quantitative data from 178 consumers of buffalo meat. …”
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189
Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy
Published 2021-12-01“…The configurations and electronic structures of CH3OH and CH3O adsorbed on CuO(111) surfaces were analyzed. …”
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190
Preparation of Mo2C/MWCNT catalysts and its performance in electrocatalytic oxidation of methanol
Published 2024-12-01“…Carbides of Mo exhibit catalytic activities similar to those of noble metals due to their unique d-band electronic structures. In this study, the MoO2, MoO3 and Mo2C were loaded on multi-walled carbon nanotubes, respectively, the highest methanol electrooxidation activity was observed for the catalysts with Mo2C loaded on multi-walled carbon nanotubes. …”
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