Converting solar energy into electricity provides a much-needed solution to the energy crisis the world is facing today. Polymer solar cells have shown potential to harness solar energy in a cost-effective way. Significant efforts are underway to improve their efficiency to the level of practical applications. Here, we report highly efficient polymer solar cells based on a bulk heterojunction of polymer poly(3-hexylthiophene) and methanofullerene. Controlling the active layer growth rate results in an increased hole mobility and balanced charge transport. Together with increased absorption in the active layer, this results in much-improved device performance, particularly in external quantum efficiency. The power-conversion efficiency of 4.4% achieved here is the highest published so far for polymer-based solar cells. The solution process involved ensures that the fabrication cost remains low and the processing is simple. The high efficiency achieved in this work brings these devices one step closer to commercialization.

https://yylab.seas.ucla.edu/papers/yy-pv-7-slow growth-nm-05.pdf

High-efficiency solution processable polymer photovoltaic cells by self-organization of polymer blends

Diamond-like carbon (DLC) is a metastable form of amorphous carbon with significant sp3 bonding. DLC is a semiconductor with a high mechanical hardness, chemical inertness, and optical transparency. This review will describe the deposition methods, deposition mechanisms, characterisation methods, electronic structure, gap states, defects, doping, luminescence, field emission, mechanical properties and some applications of DLCs. The films have widespread applications as protective coatings in areas, such as magnetic storage disks, optical windows and micro-electromechanical devices (MEMs).

/pdf/diamond-like-amorphous-carbon-3pczopr0z7.pdf

Diamond-like amorphous carbon

2.2. Materials 929 2.3. Factors Influencing Charge Mobility 931 2.3.1. Molecular Packing 931 2.3.2. Disorder 932 2.3.3. Temperature 933 2.3.4. Electric Field 934 2.3.5. Impurities 934 2.3.6. Pressure 934 2.3.7. Charge-Carrier Density 934 2.3.8. Size/molecular Weight 935 3. The Charge-Transport Parameters 935 3.1. Electronic Coupling 936 3.1.1. The Energy-Splitting-in-Dimer Method 936 3.1.2. The Orthogonality Issue 937 3.1.3. Impact of the Site Energy 937 3.1.4. Electronic Coupling in Oligoacene Derivatives 938

Charge transport in organic semiconductors.

THE recent fabrication of light-emitting diodes (LEDs) from conjugated polymers1,2demonstrates the technological potential of this class of electronic materials. A variety of colours are possible, because the wavelength of luminescence emission can be chemically tuned during synthesis1–4. In addition, the mechanical properties of polymers suggest that light-emitting structures can be made that are more flexible than their inorganic counterparts, provided appropriate materials can be found for the substrate and electrodes. Here we report the fabrication of a fully flexible LED using poly(ethylene terephthalate) as the substrate, soluble poly-aniline as the hole-injecting electrode, a substituted poly(1,4-phenylene-vinylene) as the electroluminescent layer and calcium as the electron-injecting top contract. The structure is mechanically robust and may be sharply bent without failure. The LED is easily visible under room lighting and has an external quantum efficiency of about 1%. With a turn-on voltage for light emission of 2–3 V, the 'plastic' LED demonstrates that this unique combination of optical, electrical and mechanical properties can be used to make novel structures that are compatible with conventional devices.

Flexible light-emitting diodes made from soluble conducting polymers

A review was presented to demonstrate a historical description of the synthesis of light-emitting conjugated polymers for applications in electroluminescent devices. Electroluminescence (EL) was first reported in poly(para-phenylene vinylene) (PPV) in 1990 and researchers continued to make significant efforts to develop conjugated materials as the active units in light-emitting devices (LED) to be used in display applications. Conjugated oligomers were used as luminescent materials and as models for conjugated polymers in the review. Oligomers were used to demonstrate a structure and property relationship to determine a key polymer property or to demonstrate a technique that was to be applied to polymers. The review focused on demonstrating the way polymer structures were made and the way their properties were controlled by intelligent and rational and synthetic design.

Synthesis of Light-Emitting Conjugated Polymers for Applications in Electroluminescent Devices

A molecular model system of tetraphenyl porphyrins (TPP) adsorbed on metallic substrates is systematically investigated within a joint scanning tunnelling microscopy/molecular modelling approach. The molecular conformation of TPP molecules, their adsorption on a gold surface and the growth of highly ordered TPP islands are modelled with a combination of density functional theory and dynamic force field methods. The results indicate a subtle interplay between different contributions. The molecule–substrate interaction causes a bending of the porphyrin core which also determines the relative orientations of phenyl legs attached to the core. A major consequence of this is a characteristic (and energetically most favourable) arrangement of molecules within self-assembled molecular clusters; the phenyl legs of adjacent molecules are not aligned parallel to each other (often denoted as π–π stacking) but perpendicularly in a T-shaped arrangement. The results of the simulations are fully consistent with the scanning tunnelling microscopy observations, in terms of the symmetries of individual molecules, orientation and relative alignment of molecules in the self-assembled clusters.

https://iopscience.iop.org/article/10.1088/0957-4484/20/27/275602/pdf

Dynamics of molecular self-ordering in tetraphenyl porphyrin monolayers on metallic substrates.

The charge migration process in DNA is subject to a lively debate among researchers at the moment. We have performed calculations on poly(G)-poly(C) DNA which substantiate a recent report indicating bandlike conduction for this particular form of DNA. Our results show that both guanine and cytosine give rise to conducting channels along the DNA strands. The conductivity results from the overlap of the $\ensuremath{\pi}$ orbitals along the base stacks. We also demonstrate that the measured increase of the threshold voltage with temperature in poly(G)-poly(C) DNA is the result of electron localization due to the structural disorder following high temperature.

Band resonant tunneling in DNA molecules.

Predicted stability of a new aza[60]fullerene molecule, C48N12

The reactivity of different carbon–nitride structures has been studied using density functional theory calculations. The studies involve C59N and clusters of curved and planar CNx structures. Nitrogen is shown to lower the energy of pentagon defects in the graphite like structures, whereas heptagons are unlikely to be present. From this observation, it follows that nitrogen stimulates growth of fullerene like structures in CNx. The presence of nitrogen also increases the reactivity of the carbon atoms around the nitrogen. This leads to cross linking between basal planes which can explain the hardness and elasticity of CNx films.

Reactivity of curved and planar carbon–nitride structures

Electron transport through nanotubes is studied theoretically using the Landauer formalism. The studies are carried out for finite metallic nanotubes that bridge two contacts pads. The current is o ...

Sven Stafström

Papers

Dynamics of molecular self-ordering in tetraphenyl porphyrin monolayers on metallic substrates.

Band resonant tunneling in DNA molecules.

Predicted stability of a new aza[60]fullerene molecule, C48N12

Reactivity of curved and planar carbon–nitride structures

Effect of bending and vacancies on the conductance of carbon nanotubes