scholarly journals Influence of surface termination on electronic configurations at FASnI3/C60 interfaces

2021 ◽  
Author(s):  
Pingping JIANG ◽  
Boubacar TRAORE ◽  
Mikael KEPENEKIAN ◽  
George VOLONAKIS ◽  
Claudine KATAN ◽  
...  
Keyword(s):  
Surface Termination ◽  
Electronic Configurations

scholarly journals Structural tuning of heterogeneous molecular catalysts for electrochemical energy conversion

2021 ◽  
Vol 7 (13) ◽  
pp. eabf3989
Author(s):  
Jiong Wang ◽  
Shuo Dou ◽  
Xin Wang
Keyword(s):  
Energy Conversion ◽  
Model Systems ◽  
Structural Variations ◽  
Metal Centers ◽  
Electrochemical Energy Conversion ◽  
Electronic Configurations ◽  
Coordination Spheres ◽  
The Stability ◽  
Molecular Catalysts ◽  
Electrochemical Energy

Heterogeneous molecular catalysts based on transition metal complexes have received increasing attention for their potential application in electrochemical energy conversion. The structural tuning of first and second coordination spheres of complexes provides versatile strategies for optimizing the activities of heterogeneous molecular catalysts and appropriate model systems for investigating the mechanism of structural variations on the activity. In this review, we first discuss the variation of first spheres by tuning ligated atoms; afterward, the structural tuning of second spheres by appending adjacent metal centers, pendant groups, electron withdrawing/donating, and conjugating moieties on the ligands is elaborated. Overall, these structural tuning resulted in different impacts on the geometric and electronic configurations of complexes, and the improved activity is achieved through tuning the stability of chemisorbed reactants and the redox behaviors of immobilized complexes.

scholarly journals Characterization of Charge States in Conducting Organic Nanoparticles by X-ray Photoemission Spectroscopy

Materials ◽  
2021 ◽  
Vol 14 (8) ◽  
pp. 2058
Author(s):  
Jordi Fraxedas ◽  
Antje Vollmer ◽  
Norbert Koch ◽  
Dominique de Caro ◽  
Kane Jacob ◽  
...  
Keyword(s):  
Partial Oxidation ◽  
Chemical Shifts ◽  
Large Family ◽  
Photoemission Spectroscopy ◽  
Intrinsic Structure ◽  
X Ray ◽  
Level Lines ◽  
Donor And Acceptor ◽  
Electronic Configurations

The metallic and semiconducting character of a large family of organic materials based on the electron donor molecule tetrathiafulvalene (TTF) is rooted in the partial oxidation (charge transfer or mixed valency) of TTF derivatives leading to partially filled molecular orbital-based electronic bands. The intrinsic structure of such complexes, with segregated donor and acceptor molecular chains or planes, leads to anisotropic electronic properties (quasi one-dimensional or two-dimensional) and morphology (needle-like or platelet-like crystals). Recently, such materials have been synthesized as nanoparticles by intentionally frustrating the intrinsic anisotropic growth. X-ray photoemission spectroscopy (XPS) has emerged as a valuable technique to characterize the transfer of charge due to its ability to discriminate the different chemical environments or electronic configurations manifested by chemical shifts of core level lines in high-resolution spectra. Since the photoemission process is inherently fast (well below the femtosecond time scale), dynamic processes can be efficiently explored. We determine here the fingerprint of partial oxidation on the photoemission lines of nanoparticles of selected TTF-based conductors.

A-site surface termination in strontium titanate single crystals

2001 ◽  
Vol 79 (12) ◽  
pp. 1786-1788 ◽  
Author(s):  
A. G. Schrott ◽  
J. A. Misewich ◽  
M. Copel ◽  
D. W. Abraham ◽  
Y. Zhang
Keyword(s):  
Single Crystals ◽  
Strontium Titanate ◽  
Surface Termination ◽  
A Site

Analysis of the surface termination ofNd1+xBa2−xCu3Oythin films

2004 ◽  
Vol 70 (10) ◽  
Author(s):  
X. Torrelles ◽  
C. Aruta ◽  
A. Fragneto ◽  
I. Maggio-Aprile ◽  
L. Ortega ◽  
...  
Keyword(s):  
Surface Termination

Investigations of Actinide Metals and Compounds under Pressure Provide Important Insights into Bonding and Chemistry

2003 ◽  
Vol 802 ◽  
Author(s):  
R. G. Haire ◽  
S. Heathman ◽  
T. Le Bihan ◽  
A. Lindbaum ◽  
M. Iridi
Keyword(s):  
Structural Changes ◽  
Chemical Properties ◽  
X Ray Diffraction ◽  
Interatomic Distances ◽  
X Ray ◽  
Effect Of Pressure ◽  
Electronic Configurations ◽  
5F Electrons ◽  
Actinide Series ◽  
Alloys And Compounds

ABSTRACTOne effect of pressure on elements and compounds is to decease their interatomic distances, which can bring about dramatic perturbations in their electronic nature and bonding, which can be reflected in changes in physical and/or chemical properties. One important issue in the actinide series of elements is the effect of pressure on the 5f-electrons. We have probed changes in electronic behavior with pressure by monitoring structure by X-ray diffraction, and have studied several actinide metals and compounds from thorium through einsteinium. These studies have employed angle dispersive diffraction using synchrotron radiation, and energy dispersive techniques via conventional X-ray sources. The 5f-electrons of actinide metals and their alloys are often affected significantly by pressure, while with compounds, the structural changes are often not linked to the involvement of 5 f-electron. We shall present some of our more recent findings from studies of selected actinide metals, alloys and compounds under pressure. A discussion of the results in terms of the changes in electronic configurations and bonding with regard to the element's position in the series is also addressed.

Die Bestimmung der Terme äquivalenter Elektronen bei LS-Kopplung / Determination of Terms for LS-coupled Equivalent Electrons

1972 ◽  
Vol 27 (8-9) ◽  
pp. 1216-1221
Author(s):  
Heinz Kleindienst
Keyword(s):  
Group Theory ◽  
Pauli Principle ◽  
Simple Method ◽  
Electronic Configurations

Abstract In this paper a simple method for the determination of all antisymmetric terms allowed according to Pauli principle is presented. Using group theory it allows to evaluate the terms for all electronic configurations of the type lr with l≦ 3.

The Atomic Structure of the UO2 (111) Surface and the Effects of Additional Surface Oxygen Studied by Elevated Temperature STM

1998 ◽  
Vol 05 (01) ◽  
pp. 315-320 ◽  
Author(s):  
C. Muggelberg ◽  
M. R. Castell ◽  
G. A. D. Briggs ◽  
D. T. Goddard
Keyword(s):  
Elevated Temperature ◽  
Atomic Structure ◽  
Uranium Oxide ◽  
The Other ◽  
Surface Oxygen ◽  
Surface Termination ◽  
Sample Bias ◽  
Different Types ◽  
Stm Images ◽  
Mobile Oxygen

The structure of the UO 2+x (111) surface has been investigated by elevated temperature STM. Images of atomic terraces reveal two different types of surface termination. One of them corresponds to the stoichiometric UO 2 (111) surface and can be resolved atomically in empty state images above ~ 1.6 V sample bias. The observed (1 × 1) ordering is thought to be due to uranium states because its occurrence corresponds to the bottom of the empty uranium 5f band. On these terraces mobile oxygen forms a local [Formula: see text] superstructure. The other terrace type observed on top of the UO 2+x (111) surface is thought to be a phase of a higher uranium oxide which has grown epitaxially.

Design of surface termination for high-performance perovskite solar cells

2021 ◽  
Author(s):  
Yan Yang ◽  
Wangen Zhao ◽  
Tengteng Yang ◽  
Jiali Liu ◽  
Jingru Zhang ◽  
...  
Keyword(s):  
Solar Cells ◽  
Solar Cell ◽  
High Performance ◽  
Perovskite Solar Cells ◽  
Lead Iodide ◽  
Surface Termination ◽  
Guanidinium Thiocyanate

Guanidinium thiocyanate was selected to modify the surface terminations of methylamine lead iodide (MAPbI3) perovskite films and a 21.26% PCE was acquired for a solar cell based on the MAPbI3 system, and the voltage deficit is reduced to 0.426 V.

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