Influence of molecular structure and size of cyclic and spherical carbon allotropes on high-order harmonic generation efficiency: a TDDFT study. [PDF]
Darvishzadeh V, Batebi S, Hadipour H.
europepmc +1 more source
The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study
Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
wiley +1 more source
Second Harmonic Nonlinear Warburg Admittance Analysis Eliminates Information Loss from Linearization in Traditional EIS: Theory and Experimental Validation. [PDF]
Frank LA, Babauta JT, Schwartz DT.
europepmc +1 more source
This study achieves anisotropic thermal expansion tuning in Nd2(Co1‐xFex)17‐yCry compounds via a magnetoelastic strategy. Variable‐temperature synchrotron X‐ray diffraction reveals that increased Fe content induces switchable lattice responses. Compositional control reduces the volume expansion coefficient αV by 20% (x═0.7) and modulates TC (442–625 K),
Jiayuan Li +8 more
wiley +1 more source
New High‐Tc Charge‐Transfer Multiferroicity in the Quasi‐2D Antiferromagnet CrSbS3
ABSTRACT Low‐dimensional magnets, particularly 2D systems, offer a rich platform for realizing unconventional multiferroic mechanisms, especially when multiple polarization channels coexist. In the quasi‐2D antiferromagnet CrSbS3, which crystallizes in the centrosymmetric orthorhombic space group Pnma and orders magnetically at TN ≈ 90 K, two ...
Hung‐Cheng Wu +17 more
wiley +1 more source
One-Cycle Windowed-DFT Harmonic Estimation with Spectral-Interference Compensation. [PDF]
Allioua C +3 more
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Magnetoelectric nanoparticles (MENPs) enable fully wireless, minutely invasive neuromodulation, and potentially neural recording, by converting magnetic into electric and, conversely, electric into magnetic fields, respectively, at high spatiotemporal resolution.
Elric Zhang +14 more
wiley +1 more source
Propagation effects in high harmonic generation media driven by bright squeezed vacuum light. [PDF]
Rivera-Dean J +7 more
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Short‐range order in 2D transition metal dichalcogenides is revealed as a new design paradigm. Driven by chemical affinity and atomic size, it governs properties across scales. Weak ordering tunes site‐resolved magnetism and d‐band centers, while strong ordering eliminates gap states to open band gaps.
Hanyu Liu +3 more
wiley +1 more source
Parametrising harmonic strengths in Raman driven spin noise spectra of neutral atoms. [PDF]
Majumder S, Chaudhuri S.
europepmc +1 more source

