scholarly journals Tuning the Electron Localization of Gold Enables the Control of Nitrogen‐to‐Ammonia Fixation

2019 ◽  
Vol 131 (51) ◽  
pp. 18777-18782 ◽  
Author(s):  
Jianyun Zheng ◽  
Yanhong Lyu ◽  
Man Qiao ◽  
Jean P. Veder ◽  
Roland D. Marco ◽  
...  
Keyword(s):  
Electron Localization ◽  
Ammonia Fixation

scholarly journals Tuning the Electron Localization of Gold Enables the Control of Nitrogen‐to‐Ammonia Fixation

2019 ◽  
Vol 58 (51) ◽  
pp. 18604-18609 ◽  
Author(s):  
Jianyun Zheng ◽  
Yanhong Lyu ◽  
Man Qiao ◽  
Jean P. Veder ◽  
Roland D. Marco ◽  
...  
Keyword(s):  
Electron Localization ◽  
Ammonia Fixation

scholarly journals Understanding Topological Insulators in Real Space

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2965
Author(s):  
Angel Martín Pendás ◽  
Francisco Muñoz ◽  
Carlos Cardenas ◽  
Julia Contreras-García
Keyword(s):  
Quantum Theory ◽  
Chiral Symmetry ◽  
Topological Insulator ◽  
Real Space ◽  
Electron Delocalization ◽  
Electron Localization ◽  
Visualization Tool ◽  
Atom Pairs ◽  
Chemical Concepts ◽  
Bulk Behavior

A real space understanding of the Su–Schrieffer–Heeger model of polyacetylene is introduced thanks to delocalization indices defined within the quantum theory of atoms in molecules. This approach enables to go beyond the analysis of electron localization usually enabled by topological insulator indices—such as IPR—enabling to differentiate between trivial and topological insulator phases. The approach is based on analyzing the electron delocalization between second neighbors, thus highlighting the relevance of the sublattices induced by chiral symmetry. Moreover, the second neighbor delocalization index, δi,i+2, also enables to identify the presence of chirality and when it is broken by doping or by eliminating atom pairs (as in the case of odd number of atoms chains). Hints to identify bulk behavior thanks to δ1,3 are also provided. Overall, we present a very simple, orbital invariant visualization tool that should help the analysis of chirality (independently of the crystallinity of the system) as well as spreading the concepts of topological behavior thanks to its relationship with well-known chemical concepts.

scholarly journals On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function

Symmetry ◽  
2010 ◽  
Vol 2 (3) ◽  
pp. 1653-1682 ◽  
Author(s):  
Jun Zhu ◽  
Christian Dahlstrand ◽  
Joshua R. Smith ◽  
Sébastien Villaume ◽  
Henrik Ottosson
Keyword(s):  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function ◽  
Clar Structures

Effect of density on excess electron localization in ethane and propane

1977 ◽  
Vol 66 (1) ◽  
pp. 366-367 ◽  
Author(s):  
Toyoaki Kimura ◽  
Kenji Fueki
Keyword(s):  
Excess Electron ◽  
Electron Localization

Evolution of the 4f electron localization from YbRh2Si2 to YbRh2Pb studied by electron spin resonance

2014 ◽  
Vol 118 (5) ◽  
pp. 760-764 ◽  
Author(s):  
V. A. Ivanshin ◽  
T. O. Litvinova ◽  
N. A. Ivanshin ◽  
A. Pöppl ◽  
D. A. Sokolov ◽  
...  
Keyword(s):  
Electron Spin Resonance ◽  
Electron Spin ◽  
Electron Localization ◽  
Spin Resonance

Electron localization in silicon inversion layers under strong magnetic fields

1978 ◽  
Vol 73 ◽  
pp. 121-128 ◽  
Author(s):  
S. Kawaji ◽  
J. Wakabayashi ◽  
M. Namiki ◽  
K. Kusuda
Keyword(s):  
Magnetic Fields ◽  
Electron Localization ◽  
Strong Magnetic Fields

Electron localization in conducting langmuir-blodgett films

2004 ◽  
Vol 46 (6) ◽  
pp. 1131-1140 ◽  
Author(s):  
L. A. Galchenkov ◽  
S. N. Ivanov ◽  
I. I. Pyataikin
Keyword(s):  
Electron Localization ◽  
Langmuir Blodgett ◽  
Langmuir Blodgett Films
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