"The crystal structure, cohesive energy, and electronic properties of bulk phases of the fullerene derivative [6, 6]-phenyl-C(61)-butyric-acid-methyl-ester (PCBM) have been calculated using ab initio density-functional theory (DFT) techniques. We have only considered cubic and hexagonal crystal lattices with one PCBM molecule per primitive cell. It was found that the cohesive properties of these systems are determined mainly by two types of mechanisms, namely, the van der Waals interaction and the formation of weak hydrogen bonds. Among the considered crystal structures, the most stable one, which is also the most compact structure, is the simple cubic which has a cohesive energy difference of 1.27 eV with respect to the isolated PCBM molec...
Molecular and polymer packings in pure and mixed domains and at interfacial regions play an importan...
We describe the self-assembly of soluble, chemically modified fullerene [6,6]-phenyl C61 butyric aci...
We review the fundamental properties and main applications of organic derivatives and complexes of f...
Using the density functional theory, we studied the energetics and electronic structures of chemical...
We studied the energetics and electronic structures of one-dimensional molecular chains of [6,6]-phe...
The first solvent-free crystal structure of PCBM, an organic semiconductor widely used in solvent-fr...
In this work crystal properties, HOMO and LUMO energies, band gaps, density of states, as well as th...
The fullerene derivative PCBM ([6,6]phenyl-C61-butyric acid methyl ester) is one of the best electro...
We report the preparation of high-quality, solvent-free [6,6]-Phenyl C61 butyric acid methyl ester (...
Phenyl-C61-butyric acid methyl ester (PCBM) is one of the most popular semiconductors in organic pho...
A large part of organic electronics relies on the assembly of (macro)molecular materials into struct...
Crystalline organization of a methano-fullerene, [6,6]-phenyl C-61 butyric acid methyl ester (PCBM),...
In polymer/fullerene organic solar cells, the photochemical dimerization of phenyl-C61-butyric acid ...
Small clusters of [6,6] phenyl-C61-butyric acid methyl ester (PCBM) molecules are analyzed with resp...
We describe the self-assembly of soluble, chemically modified fullerene [6,6]-phenyl C 61 butyric ac...
Molecular and polymer packings in pure and mixed domains and at interfacial regions play an importan...
We describe the self-assembly of soluble, chemically modified fullerene [6,6]-phenyl C61 butyric aci...
We review the fundamental properties and main applications of organic derivatives and complexes of f...
Using the density functional theory, we studied the energetics and electronic structures of chemical...
We studied the energetics and electronic structures of one-dimensional molecular chains of [6,6]-phe...
The first solvent-free crystal structure of PCBM, an organic semiconductor widely used in solvent-fr...
In this work crystal properties, HOMO and LUMO energies, band gaps, density of states, as well as th...
The fullerene derivative PCBM ([6,6]phenyl-C61-butyric acid methyl ester) is one of the best electro...
We report the preparation of high-quality, solvent-free [6,6]-Phenyl C61 butyric acid methyl ester (...
Phenyl-C61-butyric acid methyl ester (PCBM) is one of the most popular semiconductors in organic pho...
A large part of organic electronics relies on the assembly of (macro)molecular materials into struct...
Crystalline organization of a methano-fullerene, [6,6]-phenyl C-61 butyric acid methyl ester (PCBM),...
In polymer/fullerene organic solar cells, the photochemical dimerization of phenyl-C61-butyric acid ...
Small clusters of [6,6] phenyl-C61-butyric acid methyl ester (PCBM) molecules are analyzed with resp...
We describe the self-assembly of soluble, chemically modified fullerene [6,6]-phenyl C 61 butyric ac...
Molecular and polymer packings in pure and mixed domains and at interfacial regions play an importan...
We describe the self-assembly of soluble, chemically modified fullerene [6,6]-phenyl C61 butyric aci...
We review the fundamental properties and main applications of organic derivatives and complexes of f...