An assessment of the role of dipoles on the density‐of‐states function of disordered molecular solids

1993 ◽  
Vol 99 (10) ◽  
pp. 8136-8141 ◽  
Author(s):  
A. Dieckmann ◽  
H. Bässler ◽  
P. M. Borsenberger
Keyword(s):  
Density Of States ◽  
Molecular Solids

Role of hydrogen bonds in the propagation of ferromagnetic interactions in organic molecular solids. Part 1.—The p-hydroxyphenyl α-nitronyl aminoxyl radical case

1995 ◽  
Vol 5 (2) ◽  
pp. 243-252 ◽  
Author(s):  
Joan Cirujeda ◽  
Esteve Hernàndez-Gasió ◽  
Concepció Rovira ◽  
Jean-Louis Stanger ◽  
Philippe Turek ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Molecular Solids ◽  
Ferromagnetic Interactions

How charges separate: correlating disorder, free energy, and open-circuit voltage in organic photovoltaics

2019 ◽  
Vol 216 ◽  
pp. 236-251 ◽  
Author(s):  
Débora P. Mroczek ◽  
Vladimir Lankevich ◽  
Eric R. Bittner
Keyword(s):  
Free Energy ◽  
Density Of States ◽  
Open Circuit Voltage ◽  
Open Circuit ◽  
Organic Polymer ◽  
Type Ii ◽  
Model Type ◽  
Polymer Photovoltaics ◽  
Energetic Disorder

In this paper, we discuss our recent efforts to correlate the role of density of states, entropy, and configurational and energetic disorder to the open-circuit voltage, VOC, of model type-II organic polymer photovoltaics.

scholarly journals Chemical Bonding in Metallic Rutile-type Oxides TO2 (T = Ru, Rh, Pd, Pt)

2007 ◽  
Vol 62 (7) ◽  
pp. 949-954 ◽  
Author(s):  
Gérard Demazeau ◽  
Samir F. Matar ◽  
Rainer Pöttgen
Keyword(s):  
Band Structure ◽  
Density Of States ◽  
Chemical Bonding ◽  
Density Functional ◽  
Field Analysis ◽  
Transition Elements ◽  
Functional Theory ◽  
Synthesis Routes ◽  
Oxygen Bond

Abstract Synthesis routes to rutile-type oxides with 4d and 5d transition elements are summarized. Trends in electronic structure have been established through an analysis in the framework of density functional theory presenting the band structure, the density of states and the properties of chemical bonding. The metal-oxygen bond is found to play the major role in bonding of the system in the valence band. Throughout the series 4d → 5d (RuO2, RhO2, PdO2 and PtO2) the crystal field analysis of the band structure shows a lowering of eg towards t2g manifolds and a broadening of the overall density of states. In the vicinity of the Fermi level the role of the antibonding metal-oxygen character is investigated in the context of instability towards possible magnetic polarization, especially for RuO2.

scholarly journals The role of density of states fluctuations in the normal state properties of highTcsuperconductors

1999 ◽  
Vol 48 (6) ◽  
pp. 655-783 ◽  
Author(s):  
A. A. Varlamov ◽  
G. Balestrino ◽  
E. Milani ◽  
D. V. Livanov
Keyword(s):  
Density Of States ◽  
Normal State ◽  
Normal State Properties
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