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41.
Aloysius Soon Joel Wallman Bernard Delley Catherine Stampfl 《Current Applied Physics》2013,13(8):1707-1712
We present a trend study of a large variety of dopants at the cation site in Cu2O (i.e. substituting Cu), focussing largely on the early 3d-, 4d-, and 5d-transition metals (TMs) in which many of them are known to be non-magnetic. We also include s-, sp- and d10-metals for comparison. We find that doping with sp-elements results in zero spin moment while dopants with a partially filled d-band show a stronger tendency to magnetize and 3d-TM dopants exhibit a larger magnetic moment than most of the 4d- and 5d-TM dopants. From this trend study, we also find a correlation between their substitution enthalpy and associated interatomic relaxations. In particular, Ti-doped Cu2O appears to be an interesting system, given its “peculiar” ability to exhibit a spin moment when doped with a non-magnetic substituent like Ti. We also find that the interaction between two doped Ti atoms in Ti2:Cu2O is predominantly antiferromagnetic, and interestingly (and unexpectedly), this interaction rapidly declines as a function of inter-dopant distance, as in the case for the magnetic late-TM dopants like Co2:Cu2O. 相似文献
42.
Abstract Variation of bulk modulus of Si, Ge and GaAs with pressure is studied using four semiempirical equations of state, two of which being proposed very recently. Hence an expression for bulk modulus for arbitrary pressure for the semiconductors similar to Cohen's formula for zero pressure is arrived at. The applicability of these equations of state for the high pressure phases of Si and Ge is tested using the recent experimental and theoretical pressure-volume data of these phases. 相似文献
43.
Jiyeon KangKyeong-Ju Moon Tae Il LeeWoong Lee Jae-Min Myoung 《Applied Surface Science》2012,258(8):3509-3512
Electromigration of In in amorphous indium-gallium-zinc-oxide thin film transistors under repeated switching operation was investigated by analyzing the distribution of component elements. During the repeated switching operations up to 300 times, threshold voltage of this device increased gradually implying alteration to the internal device structures. Energy dispersive X-ray spectroscopy revealed noticeable redistribution of metallic components, especially In, in the channel layer beneath the source electrode during switching operations by the migration of metallic ions away from the source electrode, which is attributed to electromigrations similar to those observed in organic light emitting diodes having indium tin oxide electrodes. 相似文献
44.
《Journal of polymer science. Part A, Polymer chemistry》2018,56(9):1012-1019
Herein, we report the synthesis, characterization, and field‐effect properties of two cross‐conjugated dithienylmethanone (DMO)‐based alternating polymers, namely, PDMO‐S and PDMO‐Se . Both polymers possess high thermal stability, good solubility, and broad absorption spectra. Their electrochemical properties were investigated using cyclic voltammetry, indicating that PDMO‐Se has higher HOMO/LUMO energy levels of −5.49/−3.49 eV than −5.57/−3.58 eV of PDMO‐S . The two polymers exhibited promising charge transport properties with the highest hole mobility of 0.12 cm2 V−1 s−1 for PDMO‐S and 0.025 cm2 V−1 s−1 for PDMO‐Se . AFM and 2D‐GIXRD analyses demonstrated that the PDMO‐S formed lamellar, edge‐on packing thin film with close π‐π stacking. These findings suggest that cross‐conjugated polymers might be potential semiconducting materials for low‐cost and flexible organic electronics. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018 , 56, 1012–1019 相似文献
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Dr. Kohsuke Kawabata Prof. Dr. Kazuo Takimiya 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(63):15660-15670
Organic semiconductors with very small optical energy gaps have attracted a lot of attention for near-infrared-active optoelectronic applications. Herein, we present a series of donor-acceptor-donor (D−A−D) organic semiconductors consisting of a highly electron-deficient naphtho[1,2-b:5,6-b′]dithiophene-2,7-dione quinoidal acceptor and oligothiophene donors that show very small optical energy gaps of down to 0.72 eV in the solid state. Investigation of the physicochemical properties of the D−A−D molecules as well as theoretical calculations of their electronic structures revealed an efficient intramolecular interaction between the quinoidal acceptor and the aromatic oligothiophene donors in the D−A−D molecules; this significantly enhances the backbone resonance and thus reduces the bond length alternation along the π-conjugated backbones. Despite the very small optical energy gaps, the D−A−D molecules have low-lying frontier orbital energy levels that give rise to air-stable ambipolar carrier transport properties with hole and electron mobilities of up to 0.026 and 0.043 cm2 V−1 s−1, respectively, in field-effect transistors. 相似文献
49.
Dr. Timothy A. Barendt Dr. Melissa L. Ball Dr. Qizhi Xu Dr. Boyuan Zhang Dr. Brandon Fowler Ayden Schattman Virginia Cary Ritter Prof. Michael L. Steigerwald Prof. Colin Nuckolls 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(17):3744-3748
This work presents a synergy between organic electronics and supramolecular chemistry, in which a host–guest complex is designed to function as an efficacious electronic material. Specifically, the noncovalent recognition of a fullerene, phenyl-C61-butyric acid methyl ester ( PC61BM ), by an alternating perylene diimide ( P )-bithiophene ( B ) conjugated macrocycle ( PBPB ) results in a greater than five-fold enhancement in electron mobility, relative to the macrocycle alone. Characterization and quantification of the binding of fullerenes by host PBPB is provided alongside evidence for intermolecular electronic communication within the host–guest complexes. 相似文献
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