There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

The energy costs associated with separating tightly bound excitons (photoinduced electron-hole pairs) and extracting free charges from highly disordered low-mobility networks represent fundamental losses for many low-cost photovoltaic technologies. We report a low-cost, solution-processable solar cell, based on a highly crystalline perovskite absorber with intense visible to near-infrared absorptivity, that has a power conversion efficiency of 10.9% in a single-junction device under simulated full sunlight. This "meso-superstructured solar cell" exhibits exceptionally few fundamental energy losses; it can generate open-circuit photovoltages of more than 1.1 volts, despite the relatively narrow absorber band gap of 1.55 electron volts. The functionality arises from the use of mesoporous alumina as an inert scaffold that structures the absorber and forces electrons to reside in and be transported through the perovskite.

https://science.sciencemag.org/content/sci/early/2012/10/03/science.1228604.full.pdf

Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites

Dye-sensitized solar cells (DSCs) offer the possibilities to design solar cells with a large flexibility in shape, color, and transparency. DSC research groups have been established around the worl ...

/pdf/dye-sensitized-solar-cells-50b0w2bhsr.pdf

Dye-Sensitized Solar Cells

The need to develop inexpensive renewable energy sources stimulates scientific research for efficient, low-cost photovoltaic devices.1 The organic, polymer-based photovoltaic elements have introduced at least the potential of obtaining cheap and easy methods to produce energy from light.2 The possibility of chemically manipulating the material properties of polymers (plastics) combined with a variety of easy and cheap processing techniques has made polymer-based materials present in almost every aspect of modern society.3 Organic semiconductors have several advantages: (a) lowcost synthesis, and (b) easy manufacture of thin film devices by vacuum evaporation/sublimation or solution cast or printing technologies. Furthermore, organic semiconductor thin films may show high absorption coefficients4 exceeding 105 cm-1, which makes them good chromophores for optoelectronic applications. The electronic band gap of organic semiconductors can be engineered by chemical synthesis for simple color changing of light emitting diodes (LEDs).5 Charge carrier mobilities as high as 10 cm2/V‚s6 made them competitive with amorphous silicon.7 This review is organized as follows. In the first part, we will give a general introduction to the materials, production techniques, working principles, critical parameters, and stability of the organic solar cells. In the second part, we will focus on conjugated polymer/fullerene bulk heterojunction solar cells, mainly on polyphenylenevinylene (PPV) derivatives/(1-(3-methoxycarbonyl) propyl-1-phenyl[6,6]C61) (PCBM) fullerene derivatives and poly(3-hexylthiophene) (P3HT)/PCBM systems. In the third part, we will discuss the alternative approaches such as polymer/polymer solar cells and organic/inorganic hybrid solar cells. In the fourth part, we will suggest possible routes for further improvements and finish with some conclusions. The different papers mentioned in the text have been chosen for didactical purposes and cannot reflect the chronology of the research field nor have a claim of completeness. The further interested reader is referred to the vast amount of quality papers published in this field during the past decade.

Conjugated polymer-based organic solar cells

The invention concerns a method of applying upon a substrate a solid layer from a liquid which does not wet the substrate, the method comprising the following steps: Defining on the surface of the substrate an area to be provided with the solid layer, Printing by means of an inkjet printer a regular 2-dimensional pattern of discrete droplets within the area, wherein adjacent droplets are arranged at a predetermined distance, Drying the droplets thereby forming islands of a solid material, Covering the area containing the islands by a liquid layer of the liquid, and Drying the liquid layer thereby forming the solid layer.

Method of applying upon a substrate a solid layer from a solution

Efficient, stable, and fully printed carbon-electrode perovskite solar cells enabled by hole-transporting bilayers

Organic electronic devices (OEDs) are prone to oxygen- and water-induced degradation and therefore need to be encapsulated with barrier materials. In this work, we develop an aerosol jet (AJ) printing process to coat perhydropolysilazane (PHPS) directly onto OEDs by adapting the print setup and systematically optimizing the process parameters. Furthermore, we develop a novel curing process that converts PHPS to silica barrier layers by combining damp heat exposure with subsequent vacuum-UV irradiation. This two-step treatment is shown to be considerably faster and gentler than the state-of-the-art curing processes and also yields a quantitatively higher conversion. Both the printing and the conversion process are fully compatible with OED devices, which is demonstrated by a damage-free direct encapsulation of organic solar cells. The encapsulated cells show a significant reduction of degradation in damp heat conditions (65 °C/ 85% r.h.), maintaining >95% of their initial performance for >100 h. Complementary electroluminescence measurements reveal that the AJ-printed barrier layers effectively prevent lateral water ingress into the devices. This work provides the proof of principle that AJ printing can be used to print barrier layers directly onto OEDs and is thus an industrially highly relevant technology to precisely encapsulate such devices even on 3D objects. This article is protected by copyright. All rights reserved. 

https://onlinelibrary.wiley.com/doi/pdfdirect/10.1002/adem.202300322

Christoph J. Brabec

Papers

Method of applying upon a substrate a solid layer from a solution

Efficient, stable, and fully printed carbon-electrode perovskite solar cells enabled by hole-transporting bilayers

Aerosol‐Jet‐Printed Encapsulation of Organic Photovoltaics

Determination and Control of Microstructure in Organic Photovoltaic Devices

Ultrastable single-component organic solar cells: the next frontier towards industrial viability