Akinori Saeki

Bio: Akinori Saeki is an academic researcher from Osaka University. The author has contributed to research in topics: Organic solar cell & Charge carrier. The author has an hindex of 58, co-authored 344 publications receiving 12661 citations. Previous affiliations of Akinori Saeki include Eindhoven University of Technology & National Institute for Materials Science.

Covalent Organic Frameworks with High Charge Carrier Mobility

Abstract: Two types (imine and boronate) of covalent organic frameworks (COFs) having a porphyrin unit have been synthesized. The two highly crystalline porphyrin COFs (COF-366 and COF-66) display excellent chemical and thermal stability and are permanently porous. Two-dimensional extended layered structures of the two COFs demonstrate very high charge carrier mobility values (8.1 cm2 V−1 s−1).

Photoconductive coaxial nanotubes of molecularly connected electron donor and acceptor layers.

Abstract: Controlled self-assembly of a trinitrofluorenone-appended gemini-shaped amphiphilic hexabenzocoronene selectively formed nanotubes or microfibers with different photochemical properties. In these nanotubes, which are 16 nanometers in diameter and several micrometers long, a molecular layer of electron-accepting trinitrofluorenone laminates an electron-donating graphitic layer of π-stacked hexabenzocoronene. The coaxial nanotubular structure allows photochemical generation of spatially separated charge carriers and a quick photoconductive response with a large on/off ratio greater than 104. In sharp contrast, the microfibers consist of a charge-transfer complex between the hexabenzocoronene and trinitrofluorenone parts and exhibit almost no photocurrent generation.

Improved Understanding of the Electronic and Energetic Landscapes of Perovskite Solar Cells: High Local Charge Carrier Mobility, Reduced Recombination, and Extremely Shallow Traps

Abstract: The intriguing photoactive features of organic–inorganic hybrid perovskites have enabled the preparation of a new class of highly efficient solar cells. However, the fundamental properties, upon which the performance of these devices is based, are currently under-explored, making their elucidation a vital issue. Herein, we have investigated the local mobility, recombination, and energetic landscape of charge carriers in a prototype CH3NH3PbI3 perovskite (PVK) using a laser-flash time-resolved microwave conductivity (TRMC) technique. PVK was prepared on mesoporous TiO2 and Al2O3 by one or two-step sequential deposition. PVK on mesoporous TiO2 exhibited a charge carrier mobility of 20 cm2 V–1 s–1, which was predominantly attributed to holes. PVK on mesoporous Al2O3, on the other hand, exhibited a 50% lower mobility, which was resolved into balanced contributions from both holes and electrons. A general correlation between crystal size and mobility was revealed irrespective of the fabrication process and und...

Conjugated organic framework with three-dimensionally ordered stable structure and delocalized π clouds

Abstract: Covalent organic frameworks can utilize π-stacking interactions for the formation of ordered, layered frameworks. Here, the authors report an ordered framework with tailored π-interactions resulting in periodic ordering in three dimensions, which leads to enhanced stability and electronic properties.

Synthesis of Metallophthalocyanine Covalent Organic Frameworks That Exhibit High Carrier Mobility and Photoconductivity

Abstract: Covalent organic frameworks (COFs) are a new class of porous architectures that allow the integration of organic units with atomic precision into long-range-ordered twoand three-dimensional structures. 2] From a synthetic point of view, COFs are intriguing as they allow a new degree of control of porosity, composition, and component positions. As high-surface-area materials that link elements of low atomic mass by covalent bonds, COFs exhibit considerable potential for gas adsorption applications. As the first report on COFs in 2005, several families of COFs have been reported. However, the construction of COFs has to date been limited to certain monomers, and the lack of suitable procedures that utilize other units has impeded further advances in this emerging field. To advance this field it is therefore important to extend the limited number of synthetic methods and monomer units available. Phthalocyanines are large, planar p-electronic macrocycles with broad absorption profiles that could serve as intriguing units in the construction of porous frameworks. Crystalline phthalocyanine metal–organic frameworks have been shown to be useful in applications such as gas adsorption owing to their extended porous structures. However, phthalocyanine-based porous covalent polymers are usually amorphous and disordered. The combination of phthalocyanine units into a well-defined covalent framework thus remains an undeveloped area of research, offering great potential for obtaining novel functionality depending on the particular alignment and stacking. The eclipsed stacking endows arene-based COFs with unique functionality, such as excimer emission, exciton migration, and photoresponse. Herein, we have developed a new phthalocyanine unit for the synthesis of nickel phthalocyanine-based COFs (NiPc COF; Scheme 1). The compound, based on (2,3,9,10,16,17,23,24octahydroxyphthalocyaninato)nickel(II), [(OH)8PcNi], which has four catechol pairs at peripheral phenyl rings of a phthalocyanine macrocycle. These 2D COFs provide preorganized conduction paths based on precise ordering of the phthalocyanine stack and are ideal for charge carrier transport. Herein we present the high-throughput synthesis and unique properties of the two-dimensional metallophthalocyanine-based COF. The NiPc COF was synthesized by the boronate esterification reaction of [(OH)8PcNi] and 1,4-benzenediboronic acid (BDBA) in dimethylacetamide (DMAc)/o-dichlorobenzene under solvothermal conditions (Scheme 1a). [(OH)8PcNi] has low solubility in common organic solvents owing to its large p system and highly planar structure; typical procedures for the esterification reaction does not lead to the formation of desirable crystalline COFs. With reference to a well-established solvent combination (mesitylene/dioxane) for the synthesis of boronate-linked 2D COFs, 4] we investigated the reaction using different pairs of aromatic solvents (mesitylene, toluene, and o-dichlorobenzene) with hydrophilic solvents (dioxane, dimethylformamide (DMF), and dimethylacetamide (DMAc)). Combinations and results for the esterification reaction are summarized in the Supporting Information, Figure S1. The optimal combination for the preparation of the COFs was found to be o-dichlorobenzene and DMAc. Furthermore, the ratio of o-dichlorobenzene to DMAc was varied from 1:1 to 1:9 (vol/vol) to investigate the effect on crystallinity, as monitored by powder X-ray diffraction (PXRD) measurements. A mixture of o-dichlorobenzene/DMAc (1:2 vol/vol) gave the best result, as indicated by the intensity of the PXRD signals (Supporting Information, Figure S1). The NiPc COF was synthesized as a dark green powder in 90 % yield. It is notable that this method gives a yield that is much higher than the previously reported value (48%). Fourier-transform infrared (FTIR) spectra of the NiPc COF exhibited characteristic bands that are due to the boronate ester at 1053, 1089, 1291, and 1347 cm , and a typical C=N stretch at 1480 cm 1 for the phthalocyanine units (Supporting Information, Figure S2, Table S1). Solid-state H–C CP/MAS NMR spectroscopy using a 920 MHz H NMR spectrometer at a MAS rate of 15 kHz and a [*] X. Ding, Dr. J. Guo, X. Feng, Dr. P. Maitarad, Prof. Dr. D. Jiang Department of Materials Molecular Science Institute for Molecular Science 5-1 Higashiyama, Myodaiji, Okazaki 444-8787 (Japan) Fax: (+ 81)564-59-5520 E-mail: jiang@ims.ac.jp

Fast parallel algorithms for short-range molecular dynamics

Abstract: 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.

Aggregation and morphology control enables multiple cases of high-efficiency polymer solar cells.

Abstract: Although the field of polymer solar cell has seen much progress in device performance in the past few years, several limitations are holding back its further development For instance, current high-efficiency (>90%) cells are restricted to material combinations that are based on limited donor polymers and only one specific fullerene acceptor Here we report the achievement of high-performance (efficiencies up to 108%, fill factors up to 77%) thick-film polymer solar cells for multiple polymer:fullerene combinations via the formation of a near-ideal polymer:fullerene morphology that contains highly crystalline yet reasonably small polymer domains This morphology is controlled by the temperature-dependent aggregation behaviour of the donor polymers and is insensitive to the choice of fullerenes The uncovered aggregation and design rules yield three high-efficiency (>10%) donor polymers and will allow further synthetic advances and matching of both the polymer and fullerene materials, potentially leading to significantly improved performance and increased design flexibility

Functional Supramolecular Polymers

Abstract: Supramolecular polymers can be random and entangled coils with the mechanical properties of plastics and elastomers, but with great capacity for processability, recycling, and self-healing due to their reversible monomer-to-polymer transitions. At the other extreme, supramolecular polymers can be formed by self-assembly among designed subunits to yield shape-persistent and highly ordered filaments. The use of strong and directional interactions among molecular subunits can achieve not only rich dynamic behavior but also high degrees of internal order that are not known in ordinary polymers. They can resemble, for example, the ordered and dynamic one-dimensional supramolecular assemblies of the cell cytoskeleton and possess useful biological and electronic functions.

Covalent organic frameworks (COFs): from design to applications

Abstract: Covalent organic frameworks (COFs) represent an exciting new type of porous organic materials, which are ingeniously constructed with organic building units via strong covalent bonds. The well-defined crystalline porous structures together with tailored functionalities have offered the COF materials superior potential in diverse applications, such as gas storage, adsorption, optoelectricity, and catalysis. Since the seminal work of Yaghi and co-workers in 2005, the rapid development in this research area has attracted intensive interest from researchers with diverse expertise. This critical review describes the state-of-the-art development in the design, synthesis, characterisation, and application of the crystalline porous COF materials. Our own opinions on further development of the COF materials are also presented for discussion (155 references).