• Title/Summary/Keyword: tunability

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Discovery of Porous Materials for H2/CO2 Gas Separation and High-Throughput Computational Screening (수소/이산화탄소 가스분리용 다공성 물질 탐색 및 고속전산스크리닝 연구동향)

  • Byung Chul Yeo
    • Korean Chemical Engineering Research
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    • v.61 no.1
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    • pp.1-7
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    • 2023
  • Gas separation technology becomes more useful because key gases such as H2 and CO2 regarding renewable energy resources and environmental pollutant can be effectively extracted in mixed gases. For reducing energy consumption on gas separation, membrane and adsorption processes are widely used. In both processes, porous materials are needed as membrane and adsorbent. In particular, metal-organic frameworks (MOFs), one class of the porous materials, have been developed for the purpose of gas adsorption and separation. While the number of the MOF structures is increasing due to chemical and structural tunability, good MOF membranes and adsorbents have been rarely reported by trial-and-error experiments. To accelerate the discovery of high-performing porous materials that can separate H2 and CO2, a high-throughput computational screening technique was used as efficient skill. This review introduces crucial studies of porous materials and the high-throughput computational screening works focusing on gas separation of H2 and CO2.

Fabrication of Schottky Device Using Lead Sulfide Colloidal Quantum Dot

  • Kim, Jun-Kwan;Song, Jung-Hoon;An, Hye-Jin;Choi, Hye-Kyoung;Jeong, So-Hee
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.08a
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    • pp.189-189
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    • 2012
  • Lead sulfide (PbS) nanocrystal quantum dots (NQDs) are promising materials for various optoelectronic devices, especially solar cells, because of their tunability of the optical band-gap controlled by adjusting the diameter of NQDs. PbS is a IV-VI semiconductor enabling infrared-absorption and it can be synthesized using solution process methods. A wide choice of the diameter of PbS NQDs is also a benefit to achieve the quantum confinement regime due to its large Bohr exciton radius (20 nm). To exploit these desirable properties, many research groups have intensively studied to apply for the photovoltaic devices. There are several essential requirements to fabricate the efficient NQDs-based solar cell. First of all, highly confined PbS QDs should be synthesized resulting in a narrow peak with a small full width-half maximum value at the first exciton transition observed in UV-Vis absorbance and photoluminescence spectra. In other words, the size-uniformity of NQDs ought to secure under 5%. Second, PbS NQDs should be assembled carefully in order to enhance the electronic coupling between adjacent NQDs by controlling the inter-QDs distance. Finally, appropriate structure for the photovoltaic device is the key issue to extract the photo-generated carriers from light-absorbing layer in solar cell. In this step, workfunction and Fermi energy difference could be precisely considered for Schottky and hetero junction device, respectively. In this presentation, we introduce the strategy to obtain high performance solar cell fabricated using PbS NQDs below the size of the Bohr radius. The PbS NQDs with various diameters were synthesized using methods established by Hines with a few modifications. PbS NQDs solids were assembled using layer-by-layer spin-coating method. Subsequent ligand-exchange was carried out using 1,2-ethanedithiol (EDT) to reduce inter-NQDs distance. Finally, Schottky junction solar cells were fabricated on ITO-coated glass and 150 nm-thick Al was deposited on the top of PbS NQDs solids as a top electrode using thermal evaporation technique. To evaluate the solar cell performance, current-voltage (I-V) measurement were performed under AM 1.5G solar spectrum at 1 sun intensity. As a result, we could achieve the power conversion efficiency of 3.33% at Schottky junction solar cell. This result indicates that high performance solar cell is successfully fabricated by optimizing the all steps as mentioned above in this work.

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Reaction of Phosphorus Ylides with Carbonyl Compounds in Supercritical Carbon Dioxide (초임계 이산화탄소에서의 유기인 일리드와 카르보닐 화합물의 반응)

  • Jeong, Kyung-Il;Kim, Hak-Do;Shim, Jae-Jin;Ra, Choon-Sup
    • Journal of the Korean Chemical Society
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    • v.48 no.1
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    • pp.28-32
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    • 2004
  • The condensation reaction of (benzylene)triphenylphosphoranes with carbonyl compounds in supercritical carbon dioxide was examined. Reactions of (benzylene)phosphoranes (ca. 1 mmol) with several benzaldehydes in a supercritical carbon dioxide (80 $^{\circ}C$, 2,000 psi) containing THF entrainer (5%) in a 24 mL reactor proceed smoothly to yield olefination products in fairly good to excellant yields but slower, compared to reactions in a conventional THF solvent. Generally, phosphoranes that are not substituted with a nitro group show more (Z)-selective reactions with aromatic aldehydes under $scCO_2$ condition than in THF. The reaction of (benzylene)triphenylphosphoranes with 4-t-butylcyclohexanone gave the corresponding olefin compounds with a low conversion under both the supercritical carbon dioxide and the organic THF solvent. Our preliminary study showed the Wittig reaction carries out smoothly in supercritical carbon dioxide medium and also a possibile tunability of this reaction pathway by adding a entrainer. The results would be useful for devising a novel process for the environmentally friendly Wittig reaction.

Kilohertz Gain-Switched Ti:sapphire Laser Operation and Femtosecond Chirped-Pulse Regenerative Amplification (KHz 반복률에서의 Ti:sapphire 이득 스위칭 레이저 발진과 펨토초 처프펄스 재생 증폭)

  • Lee, Yong-In;Ahn, Yeong-Hwan;Lee, Sang-Min;Seo, Min-Ah;Kim, Dai-Sik;Rotermund, Fabian
    • Korean Journal of Optics and Photonics
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    • v.17 no.6
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    • pp.556-563
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    • 2006
  • We present a comprehensive study of a chirped pulse Ti:sapphire regenerative amplifier system operating at 1 kHz. Main constituents of the system are described in detail. The amplifier stage was first converted to a repetition rate-tunable kHz gain-switched nanosecond Ti:sapphire laser. Operation characteristics at different repetition rates such as build-up times of laser pulses, pump power-dependent output powers and pulse durations, damage thresholds, and tunability ranges were studied. Based on the results achieved, the switching time of the Pocket's cell used and the round trip numbers in the regenerative amplifier were optimized at 1 kHz. The output pulses with a pulse width of 50fs from a home-made Ken lens mode-locked Ti:sapphire oscillator were used as seed pulses. The pulses were expanded to 120ps in a grating stretcher prior to coupling into the 3-mirror amplifier cavity. After amplification and recompression, a stable 1kHz Ti:sapphire regenerative amplifier system, which delivers 85-fs, $320-{\mu}J$ pulses, was fully constructed.

Growth and Electrical Properties of Spinel-type ZnCo2O4 Thin Films by Reactive Magnetron Sputtering (반응성 때려내기 방법에 의한 스피넬 형 ZnCo2O4 박막의 성장과 전기적 물성)

  • Song, In-Chang;Kim, Hyun-Jung;Sim, Jae-Ho;Kim, Hyo-jin;Kim, Do-jin;Ihm, Young-Eon;Choo, Woong-Kil
    • Korean Journal of Materials Research
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    • v.13 no.8
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    • pp.519-523
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    • 2003
  • We report the synthesis of cubic spinel $ZnCo_2$$O_4$thin films and the tunability of the conduction type by control of the oxygen partial pressure ratio. Zinc cobalt oxide films were grown on$ SiO_2$(200 nm)/Si substrates by reactive magnetron sputtering method using Zn and Co metal targets in a mixed Ar/$O_2$atmosphere. We found from X-ray diffraction measurements that the crystal structure of the zinc cobalt oxide films grown under an oxygen-rich condition (the $O_2$/Ar partial pressure ratio of 9/1) changes from wurtzite-type $Zn_{1-x}$ $Co_{X}$O to spinel-type $ZnCo_2$$O_4$with the increase of the Co/Zn sputtering ratio,$ D_{co}$ $D_{zn}$ . We noted that the above structural change accompanied by the variation of the majority electrical conduction type from n-type (electrons) to p-type (holes). For a fixed $D_{co}$ $D_{zn}$ / of 2.0 yielding homogeneous spinel-type $_2$O$ZnCo_4$films, the type of the majority carriers also varied, depending on the$ O_2$/Ar partial pressure ratio: p-type for an $O_2$-rich and n-type for an Ar-rich atmosphere. The maximum electron and hole concentrations for the Zn $Co_2$ $O_4$films were found to be 1.37${\times}$10$^{20}$ c $m^{-3}$ and 2.41${\times}$10$^{20}$ c $m^{-3}$ , respectively, with a mobility of about 0.2 $\textrm{cm}^2$/Vs and a high conductivity of about 1.8 Ω/$cm^{-1}$ /.