Gd–Sc-Based Mixed-Metal Nitride Cluster Fullerenes: Mutual Influence of the Cage and Cluster Size and the Role of Scandium in the Electronic Structure

2013 ◽  
Vol 52 (6) ◽  
pp. 3368-3380 ◽  
Author(s):  
Anna L. Svitova ◽  
Alexey A. Popov ◽  
Lothar Dunsch
Keyword(s):  
Electronic Structure ◽  
Cluster Size ◽  
Mutual Influence ◽  
Metal Nitride ◽  
Mixed Metal

First-principles Study on the Electronic Structure of Novel Titanium Yttrium Mixed-metal Nitride Clusterfullerene

2011 ◽  
Vol 24 (4) ◽  
pp. 439-443 ◽  
Author(s):  
Shu-juan Li ◽  
Shu-lai Lei ◽  
Jing Huang ◽  
Qun-xiang Li
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Metal Nitride ◽  
Mixed Metal ◽  
First Principles Study

An Expanded Family of Dysprosium-Scandium Mixed-Metal Nitride Clusterfullerenes: The Role of the Lanthanide Metal on the Carbon Cage Size Distribution

2015 ◽  
Vol 21 (15) ◽  
pp. 5750-5759 ◽  
Author(s):  
Tao Wei ◽  
Fupin Liu ◽  
Song Wang ◽  
Xianjun Zhu ◽  
Alexey A. Popov ◽  
...  
Keyword(s):  
Size Distribution ◽  
Carbon Cage ◽  
Metal Nitride ◽  
Mixed Metal ◽  
Cage Size ◽  
Lanthanide Metal

scholarly journals Inside Cover: An Expanded Family of Dysprosium-Scandium Mixed-Metal Nitride Clusterfullerenes: The Role of the Lanthanide Metal on the Carbon Cage Size Distribution (Chem. Eur. J. 15/2015)

2015 ◽  
Vol 21 (15) ◽  
pp. 5646-5646
Author(s):  
Tao Wei ◽  
Fupin Liu ◽  
Song Wang ◽  
Xianjun Zhu ◽  
Alexey A. Popov ◽  
...  
Keyword(s):  
Size Distribution ◽  
Carbon Cage ◽  
Metal Nitride ◽  
Mixed Metal ◽  
Cage Size ◽  
Lanthanide Metal

The codevelopment of group relationships: The role of individual group member’s and other group members’ mutual influence and shared group environment.

2019 ◽  
Vol 66 (5) ◽  
pp. 640-649 ◽  
Author(s):  
Gianluca Lo Coco ◽  
Salvatore Gullo ◽  
Gabriele Profita ◽  
Chiara Pazzagli ◽  
Claudia Mazzeschi ◽  
...  
Keyword(s):  
Mutual Influence ◽  
Individual Group ◽  
Group Environment ◽  
Group Members ◽  
Group Relationships

scholarly journals Band alignment of monolayer CaP3, CaAs3, BaAs3 and the role of p–d orbital interactions in the formation of conduction band minima

2021 ◽  
Vol 23 (12) ◽  
pp. 7418-7425
Author(s):  
Magdalena Laurien ◽  
Himanshu Saini ◽  
Oleg Rubel
Keyword(s):  
Electronic Structure ◽  
Conduction Band ◽  
Electron Affinity ◽  
Band Alignment ◽  
Orbital Interactions

We calculate the band alignment of the newly predicted phosphorene-like puckered monolayers with G0W0 according to the electron affinity rule and examine trends in the electronic structure. Our results give guidance for heterojunction design.

Electronic structure of a realistic STM tip: the role of different apex atoms

1998 ◽  
Vol 78 (5-6) ◽  
pp. 519-525
Author(s):  
W. A. Hofer, J. Redinger
Keyword(s):  
Electronic Structure

Site-projected electronic structure of two-dimensional Ti3C2MXene: the role of the surface functionalization groups

2016 ◽  
Vol 18 (45) ◽  
pp. 30946-30953 ◽  
Author(s):  
Damien Magne ◽  
Vincent Mauchamp ◽  
Stéphane Célérier ◽  
Patrick Chartier ◽  
Thierry Cabioc'h
Keyword(s):  
Electronic Structure ◽  
Surface Functionalization ◽  
Chemical Bonding ◽  
Surface Groups ◽  
Two Dimensional ◽  
Object Level

The role of the surface groups in chemical bonding in two dimensional Ti3C2is evidenced at the nano-object level.

Electronic structure, donor-acceptor properties, and mutual influence of the ligands in the complexes [PtX3L]n

1976 ◽  
Vol 11 (2) ◽  
pp. 115-121
Author(s):  
O. V. Sizova ◽  
V. I. Baranovskii
Keyword(s):  
Electronic Structure ◽  
Mutual Influence ◽  
Donor Acceptor

scholarly journals Stoichiometry and disorder influence over electronic structure in nanostructured VOx films

2021 ◽  
Vol 23 (1) ◽  
Author(s):  
A. D’Elia ◽  
S. J. Rezvani ◽  
N. Zema ◽  
F. Zuccaro ◽  
M. Fanetti ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Distorted Octahedral Geometry ◽  
Edge Structure ◽  
Distorted Octahedral ◽  
X Ray Absorption ◽  
Complex Matter ◽  
Nanometric Size

AbstractWe present and discuss the role of nanoparticles size and stoichiometry over the local atomic environment of nanostructured VOx films. The samples have been characterized in situ using X-ray absorption near-edge structure (XANES) spectroscopy identifying the stoichiometry-dependent fingerprints of disordered atomic arrangement. In vanadium oxides, the ligand atoms arrange according to a distorted octahedral geometry depending on the oxidation state, e.g. trigonal distortion in V2O3 and tetragonal distortion in bulk VO2. We demonstrate, taking VO2 as a case study, that as a consequence of the nanometric size of the nanoparticles, the original ligands symmetry of the bulk is broken resulting in the coexistence of a continuum of distorted atomic conformations. The resulting modulation of the electronic structure of the nanostructured VOx as a function of the oxygen content reveals a stoichiometry-dependent increase of disorder in the ligands matrix. This work shows the possibility to produce VOx nanostructured films accessing new disordered phases and provides a unique tool to investigate the complex matter.

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