Electronic structure of metallic (aluminium) cluster embedded in4He (liquid, cluster) : a Gutzwiller approach

1993 ◽  
Vol 26 (S1) ◽  
pp. 33-35
Author(s):  
Ren�-Jean Tarento ◽  
Pierre Joyes ◽  
Jean Walle
Keyword(s):  
Electronic Structure ◽  
Metallic Aluminium ◽  
Cluster A

scholarly journals Geometrical and Electronic Structure of the Pt7 Cluster: A Density Functional Study.

ChemInform ◽  
2004 ◽  
Vol 35 (27) ◽  
Author(s):  
Wei Quan Tian ◽  
Maofa Ge ◽  
B. R. Sahu ◽  
Dianxun Wang ◽  
Toshiki Yamada ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Cluster A

scholarly journals Is the largest aqueous gold cluster a superatom complex? Electronic structure & optical response of the structurally determined Au146(p-MBA)57

Nanoscale ◽  
2017 ◽  
Vol 9 (47) ◽  
pp. 18629-18634 ◽  
Author(s):  
Xóchitl López-Lozano ◽  
G. Plascencia-Villa ◽  
G. Calero ◽  
R. L. Whetten ◽  
Hans-Christian Weissker
Keyword(s):  
Electronic Structure ◽  
Gold Cluster ◽  
Optical Response ◽  
The Novel ◽  
Shell Closure ◽  
Electronic Shell ◽  
Novel Structure ◽  
Cluster A

The novel structure-determined Au146(SCH3)57 cluster has no super-atom character, unlike the icosahedral Au144(SCH3)60, and does not derive its stability from an electronic shell closure.

Geometrical and electronic structure of the Ba-doped Sin (n=1–12) cluster: A density functional study

2014 ◽  
Vol 1075 ◽  
pp. 220-226 ◽  
Author(s):  
Shuai Zhang ◽  
Wei Dai ◽  
Hongzhao Liu ◽  
Cheng Lu ◽  
Genquan Li
Keyword(s):  
Electronic Structure ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Cluster A

Electronic Structure Description of a [Co(III)3Co(IV)O4] Cluster: A Model for the Paramagnetic Intermediate in Cobalt-Catalyzed Water Oxidation

2011 ◽  
Vol 133 (39) ◽  
pp. 15444-15452 ◽  
Author(s):  
J. Gregory McAlpin ◽  
Troy A. Stich ◽  
C. André Ohlin ◽  
Yogesh Surendranath ◽  
Daniel G. Nocera ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Water Oxidation ◽  
Structure Description ◽  
Cluster A

scholarly journals Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure

2014 ◽  
Vol 140 (8) ◽  
pp. 081102 ◽  
Author(s):  
Marcel Nooijen ◽  
Ondřej Demel ◽  
Dipayan Datta ◽  
Liguo Kong ◽  
K. R. Shamasundar ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Cluster A

EELS Measurement of the Local Electronic Structure of Copper Atoms Segregated to Aluminum Grain Boundaries

1996 ◽  
Vol 54 ◽  
pp. 342-343
Author(s):  
S.J. Splinter ◽  
J. Bruley ◽  
P.E. Batson ◽  
D.A. Smith ◽  
R. Rosenberg
Keyword(s):  
Electronic Structure ◽  
Grain Boundaries ◽  
Boundary Segregation ◽  
Thin Layers ◽  
Nominal Composition ◽  
Spatially Resolved ◽  
Service Lifetime ◽  
Heat Treated ◽  
Probe Size ◽  
Local Electronic Structure

It has long been known that the addition of Cu to Al interconnects improves the resistance to electromigration failure. It is generally accepted that this improvement is the result of Cu segregation to Al grain boundaries. The exact mechanism by which segregated Cu increases service lifetime is not understood, although it has been suggested that the formation of thin layers of θ-CuA12 (or some metastable substoichiometric precursor, θ’ or θ”) at the boundaries may be necessary. This paper reports measurements of the local electronic structure of Cu atoms segregated to Al grain boundaries using spatially resolved EELS in a UHV STEM. It is shown that segregated Cu exists in a chemical environment similar to that of Cu atoms in bulk θ-phase precipitates.Films of 100 nm thickness and nominal composition Al-2.5wt%Cu were deposited by sputtering from alloy targets onto NaCl substrates. The samples were solution heat treated at 748K for 30 min and aged at 523K for 4 h to promote equilibrium grain boundary segregation. EELS measurements were made using a Gatan 666 PEELS spectrometer interfaced to a VG HB501 STEM operating at 100 keV. The probe size was estimated to be 1 nm FWHM. Grain boundaries with the narrowest projected width were chosen for analysis. EDX measurements of Cu segregation were made using a VG HB603 STEM.

Electronic structure studies of conducting polymers by electron energy-loss spectroscopy

1996 ◽  
Vol 54 ◽  
pp. 160-161
Author(s):  
J. Fink
Keyword(s):  
Electronic Structure ◽  
Conducting Polymers ◽  
Conjugated Polymers ◽  
Electron Acceptors ◽  
Electron Donors ◽  
Light Emitting ◽  
One Dimensional ◽  
New Class ◽  
Electrical Conductivities ◽  
Electron Energy Loss

Conducting polymers comprises a new class of materials achieving electrical conductivities which rival those of the best metals. The parent compounds (conjugated polymers) are quasi-one-dimensional semiconductors. These polymers can be doped by electron acceptors or electron donors. The prototype of these materials is polyacetylene (PA). There are various other conjugated polymers such as polyparaphenylene, polyphenylenevinylene, polypoyrrole or polythiophene. The doped systems, i.e. the conducting polymers, have intersting potential technological applications such as replacement of conventional metals in electronic shielding and antistatic equipment, rechargable batteries, and flexible light emitting diodes.Although these systems have been investigated almost 20 years, the electronic structure of the doped metallic systems is not clear and even the reason for the gap in undoped semiconducting systems is under discussion.

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