scholarly journals V4 tetrahedral units in AV4X8 lacunar spinels: Near degeneracy, charge fluctuations, and configurational mixing within a valence space of up to 21 d orbitals

2020 ◽  
Vol 2 (2) ◽  
Author(s):  
L. Hozoi ◽  
M. S. Eldeeb ◽  
U. K. Rößler
Keyword(s):  
Charge Fluctuations ◽  
Valence Space ◽  
Near Degeneracy ◽  
D Orbitals

Mechanically-Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions

2020 ◽  
Author(s):  
María Camarasa-Gómez ◽  
Daniel Hernangómez-Pérez ◽  
Michael S. Inkpen ◽  
Giacomo Lovat ◽  
E-Dean Fung ◽  
...  
Keyword(s):  
Single Molecule ◽  
Quantum Interference ◽  
Degrees Of Freedom ◽  
Building Blocks ◽  
Ferrocene Derivative ◽  
Single Molecule Junctions ◽  
Molecule Junction ◽  
Single Molecule Junction ◽  
The Impact ◽  
D Orbitals

Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted<br>some interest as functional elements of molecular-scale devices. Here we investigate the impact of<br>the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction<br>conductance. Measurements indicate that the conductance of the ferrocene derivative, which is<br>suppressed by two orders of magnitude as compared to a fully conjugated analog, can be modulated<br>by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects that arise from the hybridization of metal-based d-orbitals and the ligand-based π-system. By rotating the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally.<br>

Regulating the electron filling state of d orbitals in Ta-based compounds for tunable lithium‑sulfur chemistry

2021 ◽  
pp. e00271
Author(s):  
Da Sun ◽  
Jianbin Zhou ◽  
Dewei Rao ◽  
Linqin Zhu ◽  
Shuwen Niu ◽  
...  
Keyword(s):  
Sulfur Chemistry ◽  
D Orbitals ◽  
Filling State ◽  
Lithium Sulfur

scholarly journals Universal signatures of Dirac fermions in entanglement and charge fluctuations

2021 ◽  
Vol 103 (23) ◽  
Author(s):  
Valentin Crépel ◽  
Anna Hackenbroich ◽  
Nicolas Regnault ◽  
Benoit Estienne
Keyword(s):  
Dirac Fermions ◽  
Charge Fluctuations

scholarly journals Coexistence of distinct charge fluctuations inθ−(BEDT-TTF)2X

2008 ◽  
Vol 78 (3) ◽  
Author(s):  
S. Nishimoto ◽  
M. Shingai ◽  
Y. Ohta
Keyword(s):  
Charge Fluctuations

scholarly journals Probing Surface Charge Fluctuations with Solid-State Nanopores

2009 ◽  
Vol 102 (25) ◽  
Author(s):  
David P. Hoogerheide ◽  
Slaven Garaj ◽  
Jene A. Golovchenko
Keyword(s):  
Solid State ◽  
Surface Charge ◽  
Charge Fluctuations
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