• 제목/요약/키워드: quantum chemistry

검색결과 475건 처리시간 0.03초

Size Control of PbS Colloidal Quantum Dots and Their Application to Photovoltaic Devices

  • Lee, Wonseok;Ryu, Ilhwan;Choi, Geunpyo;Yim, Sanggyu
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2015년도 제49회 하계 정기학술대회 초록집
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    • pp.249.1-249.1
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    • 2015
  • Quantum dots (QDs) are attracting growing attention for photovoltaic device applications because of their unique electronic, optical and physical properties. Lead sulfide (PbS) QDs are one of the most widely studied materials for the devices and known to have size-tunable properties. In this context, we investigated the relationship between the size of PbS QDs and two synthesizing conditions, a concentration of ligand, oleic acid in this work, and injection temperature. The inverted colloidal quantum dot solar cells based on the heterojunction of n-type zinc oxide layer and p-type PbS QDs were also fabricated. The size of the QDs and cell properties were observed to depend on both the QD synthesizing conditions, and hence the overall efficiency of the cell could vary even though the size of QDs used was same. The QD synthesizing conditions were finally optimized for the maximum cell efficiency.

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초음파 방법을 이용한 CdTe 양자점의 합성 및 특성에 관한 연구 (Study on Sonochemical Synthesis and Characterization of CdTe Quatum Dot)

  • 유정열;김우석;박선아;김종규
    • 공업화학
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    • 제28권5호
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    • pp.571-575
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    • 2017
  • 본 연구에서는 초음파 조사법을 사용하여 cadmium telluride (CdTe) 양자점을 합성하였다. 전구체의 비율과 합성 시간을 주 변수로 하여 그에 따른 CdTe 양자점의 광학적 특성과 구조적 특성을 분석하였다. 모든 cadmium (Cd)과 tellurium(Te) 함량비율의 실험에서 합성 시간이 증가함에 따라 CdTe 양자점의 성장에 의해 밴드갭 감소현상이 관찰되었고, 발광 특성을 확인한 결과 510~610 nm 파장 범위에서 장파장으로 이동함을 보였다. 또한 Te의 비율이 증가함에 따라 장파장이동이 빠르게 일어나는 것을 확인하였다. Photoluminescence (PL) 피크 강도를 확인하였을 때 합성시간이 180 min~240 min 사이에서 가장 높은 강도를 보였다. X-ray diffraction (XRD)와 transmission electron microscopy (TEM)으로 구조적 특성을 확인한 결과 zinc blend 구조의 CdTe 양자점을 나타내었으며, 합성시간이 210 min일 때 양자점의 크기는 약 2.5 nm로 균일하게 분산되어 있었으며 fast fourier transform (FFT) 이미지를 확인한 결과 뚜렷한 결정성을 확인하였다.

Optical dielectric function of impurity doped Quantum dots in presence of noise

  • Ghosh, Anuja;Bera, Aindrila;Ghosh, Manas
    • Advances in nano research
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    • 제5권1호
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    • pp.13-25
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    • 2017
  • We examine the total optical dielectric function (TODF) of impurity doped GaAs quantum dot (QD) from the viewpoint of anisotropy, position-dependent effective mass (PDEM) and position dependent dielectric screening function (PDDSF), both in presence and absence of noise. The dopant impurity potential is Gaussian in nature and noise employed is Gaussian white noise that has been applied to the doped system via two different modes; additive and multiplicative. A change from fixed effective mass and fixed dielectric constant to those which depend on the dopant coordinate manifestly affects TODF. Presence of noise and also its mode of application bring about more rich subtlety in the observed TODF profiles. The findings indicate promising scope of harnessing the TODF of doped QD systems through expedient control of site of dopant incorporation and application of noise in desired mode.

계산과학플랫폼 기반 온라인 양자화학 실험 환경 개발 (Development of Online Quantum Chemistry Experiment Environment Based on Computational Science Platform)

  • 전인호;온누리;권예진;서정현;이종숙
    • 인터넷정보학회논문지
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    • 제21권5호
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    • pp.97-107
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    • 2020
  • This paper introduces an online experiment environment based on a computational science platform that can be used for various purposes ranging from basic education to quantum chemistry and professional quantum chemistry research. The simulation environment was constructed using a simulation workbench and simulation workflow, which are execution environment services of Science App provided by the computational science platform. We developed an environment in which learners can learn independently without an instructor by selecting experiment topics that can be used in various areas of chemistry, and offering the learning materials of the topics in a form of e-learning content that includes theory and simulation exercises. To verify the superiority of the proposed system, it was compared with WebMO, a state-of-the-art web-based quantum chemistry simulation service.

InP Quantum Dot - Organosilicon Nanocomposites

  • Dung, Mai Xuan;Mohapatra, Priyaranjan;Choi, Jin-Kyu;Kim, Jin-Hyeok;Jeong, So-Hee;Jeong, Hyun-Dam
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2012년도 제42회 동계 정기 학술대회 초록집
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    • pp.191-191
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    • 2012
  • InP quantum dot (QD) - organosilicon nanocomposites were synthesized and their photoluminescence quenching was mainly investigated because of their applicability to white LEDs (light emitting diodes). The as-synthesized InP QDs which were capped with myristic acid (MA) were incompatible with typical silicone encapsulants. Post ligand exchange the MA with a new ligand, 3-aminopropyldimethylsilane (APDMS), resulted in soluble InP QDs bearing Si-H groups on their surface (InP-APDMS) which allow embedding the QDs into vinyl-functionalized silicones through direct chemical bonding, overcoming the phase separation problem. However, the ligand exchange from MA to APDMS caused a significant decrease in the photoluminescent efficiency which is interpreted by ligand induced surface corrosion relying on theoretical calculations. The InP-APDMS QDs were cross-linked by 1,4-divinyltetramethylsilylethane (DVMSE) molecules via hydrosilylation reaction. As the InP-organosilicon nanocomposite grew, its UV-vis absorbance was increased and at the same time, the PL spectrum was red-shifted and, very interestingly, the PL was quenched gradually. Three PL quenching mechanisms are regarded as strong candidates for the PL quenching of the QD nano-composites, namely the scattering effect, Forster resonance energy transfer (FRET) and cross-linker tension preventing the QD's surface relaxation.

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