Controlling the Reactivity of C60: A Theoretical Analysis of the Electronic States Modulated by Substitutional Chemistry

1994 ◽  
Vol 359 ◽  
Author(s):  
S.-H. Wang ◽  
M. Kashani ◽  
S. Jansen
Keyword(s):  
High Temperature ◽  
Theoretical Analysis ◽  
High Temperature Superconductivity ◽  
Electronic States ◽  
Experimental Investigations ◽  
Cluster Stability ◽  
Simple Substitution ◽  
Doped Materials ◽  
Multiple Species

ABSTRACTThe availability of large amounts of Buckminsterfullerene has allowed a plethora of experimental investigations on fullerenes. The chemical and physical studies have focussed on synthesis, isomerism, magnetism, spectroscopy and high temperature superconductivity in doped materials. The chemical reactivities of fullerenes have been defined and most of the studies are dominated by C60 isomers. Some of the observed activities of fullerenes parlled those of alkeies. In our previous studies, the reactivity of the 6-6' bond with respect to eco- addition was described. Current studies have exploited the olefinic nature of the 6-6' bond and analyzed the effect of the addition on cluster stability and frontier character. In this work, we describe the mechanisms of simple substitution and analyze stability and orbital effects for the addition chemistry of C60 with multiple species. Evolving changes in orbital frontier character are analyzed with respect to site directed chemistry exhibited by C60.

scholarly journals Room-temperature oxygen vacancy migration induced reversible phase transformation during the anelastic deformation in CuO

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Lei Li ◽  
Guoxujia Chen ◽  
He Zheng ◽  
Weiwei Meng ◽  
Shuangfeng Jia ◽  
...  
Keyword(s):  
High Temperature ◽  
Oxygen Vacancy ◽  
Room Temperature ◽  
High Temperature Superconductivity ◽  
Experimental Investigations ◽  
Solid State Chemistry ◽  
Vacancy Migration ◽  
Scientific Disciplines ◽  
Anelastic Deformation ◽  
Reversible Phase

AbstractFrom the mechanical perspectives, the influence of point defects is generally considered at high temperature, especially when the creep deformation dominates. Here, we show the stress-induced reversible oxygen vacancy migration in CuO nanowires at room temperature, causing the unanticipated anelastic deformation. The anelastic strain is associated with the nucleation of oxygen-deficient CuOx phase, which gradually transforms back to CuO after stress releasing, leading to the gradual recovery of the nanowire shape. Detailed analysis reveals an oxygen deficient metastable CuOx phase that has been overlooked in the literatures. Both theoretical and experimental investigations faithfully predict the oxygen vacancy diffusion pathways in CuO. Our finding facilitates a better understanding of the complicated mechanical behaviors in materials, which could also be relevant across multiple scientific disciplines, such as high-temperature superconductivity and solid-state chemistry in Cu-O compounds, etc.

New surprises “down below”: Recent successes in the synthesis of actinide materials

MRS Bulletin ◽  
2010 ◽  
Vol 35 (11) ◽  
pp. 877-882 ◽  
Author(s):  
J. L. Sarrao ◽  
Y. Haga ◽  
R. C. C. Ward
Keyword(s):  
High Temperature ◽  
Single Crystal ◽  
Periodic Table ◽  
High Temperature Superconductivity ◽  
Electronic States ◽  
High Quality

Recent discoveries of novel electronic states, including relatively high-temperature superconductivity, in the actinides point to exciting prospects for future discoveries at the bottom of the periodic table. A key ingredient in all of the successes discussed here is the role of high-quality synthesis in enabling advances. Results on PuCoGa51, NpPd5Al2, and single crystal uranium are discussed.

REMARK ON THE EXISTENCE OF LONG-RANGE ORDER IN QUASI-TWO-DIMENSIONAL HUBBARD MODEL

1996 ◽  
Vol 10 (08) ◽  
pp. 341-346 ◽  
Author(s):  
A. BELKASRI ◽  
J.L. RICHARD
Keyword(s):  
Thin Film ◽  
High Temperature ◽  
Theoretical Analysis ◽  
Hubbard Model ◽  
Long Range ◽  
High Temperature Superconductivity ◽  
Type Model ◽  
Long Range Order ◽  
Two Dimensional ◽  
2D System

Recently in many works on the mechanism of high temperature superconductivity (see for example Refs. 1–6), quasi-averages like <ck↑c−k↓> were considered even in the case of a dimension less or equal two. But it is well known from the old work of Hohenberg7 that these quasi-averages are zero at T≠0 in case of 1 and 2 dimensions. In this communication we generalize the Hohenberg’s result to any kind of Hubbard type model on lattice and prove that in the case of quasi-two-dimension, the theorem of Hohenberg is not in contradiction with having <ck↑c−k↓>≠0 (at T≠0). In practice this makes sense to compare the data for a thin film (which can be considered as quasi-2D system) to the theoretical analysis based on quasi-two-dimensional models, but not for strictly two-dimensional case.

High-Temperature Superconductivity in Graphite-Sulfur Composites: Theoretical Analysis

2001 ◽  
Vol 689 ◽  
Author(s):  
D. S. Galvão ◽  
B. Laks ◽  
R. R. da Silva ◽  
J. H. S. Torres ◽  
Y. Kopelevich
Keyword(s):  
Electronic Structure ◽  
High Temperature ◽  
Theoretical Analysis ◽  
Density Of States ◽  
High Temperature Superconductivity ◽  
Tight Binding ◽  
Two Dimensional ◽  
Negative Factor ◽  
Structure Changes ◽  
Geometric Curvature

ABSTRACTRecently superconductivity in graphite-sulfur composites was experimentally observed. In this work we have analyzed the electronic structure changes associated with the presence of sulfur atoms in one and two dimensional graphite layers. We have considered ordered and disordered sulfur atoms distributions in many configurations. The density of states (DOS) of these structures were obtained using the negative factor counting (NFC) technique coupled to a tight-binding hamiltonian (Hückel type). Our results indicate that the incorporation of sulfur atoms at edge graphite layers (changing their global geometric curvature and increasing the DOS at the Fermi level) might be in the origin of the graphite superconductivity.

Sign in / Sign up

Export Citation Format

Share Document