연합인증

연합인증 가입 기관의 연구자들은 소속기관의 인증정보(ID와 암호)를 이용해 다른 대학, 연구기관, 서비스 공급자의 다양한 온라인 자원과 연구 데이터를 이용할 수 있습니다.

이는 여행자가 자국에서 발행 받은 여권으로 세계 각국을 자유롭게 여행할 수 있는 것과 같습니다.

연합인증으로 이용이 가능한 서비스는 NTIS, DataON, Edison, Kafe, Webinar 등이 있습니다.

한번의 인증절차만으로 연합인증 가입 서비스에 추가 로그인 없이 이용이 가능합니다.

다만, 연합인증을 위해서는 최초 1회만 인증 절차가 필요합니다. (회원이 아닐 경우 회원 가입이 필요합니다.)

연합인증 절차는 다음과 같습니다.

최초이용시에는
ScienceON에 로그인 → 연합인증 서비스 접속 → 로그인 (본인 확인 또는 회원가입) → 서비스 이용

그 이후에는
ScienceON 로그인 → 연합인증 서비스 접속 → 서비스 이용

연합인증을 활용하시면 KISTI가 제공하는 다양한 서비스를 편리하게 이용하실 수 있습니다.

국가슈퍼컴퓨팅센터 한국과학기술정보연구원(KISTI)의 국가슈퍼컴퓨팅센터 프로그램의 지원으로 발표된 논문을 제공합니다.
ScienceON은 과학기술정보에서부터 연구인프라까지 연구자에게 필요한 다양한 서비스를 지원합니다.

논문 수 (1,616)
[해외논문] Predicting ligand-dependent nanocrystal shapes of InP quantum dots and their electronic structures

Yoo, Hyeri (Center for Neuromorphic Engineering, Korea Institute of Science and Technology) , Lee, Kyeong-Seok (Center for Neuromorphic Engineering, Korea Institute of Science and Technology) , Nahm, Sahn (Department of Material Science and Engineering, Korea University) , Hwang, Gyu Weon (Center for Neuromorphic Engineering, Korea Institute of Science and Technology) , Kim, Sangtae (Department of Nuclear Engineering, Hanyang University)
Applied surface science v.578 ,pp. 151972 , 2022 , 0169-4332 , Elsevier

이 논문은 국가슈퍼컴퓨팅센터 프로그램 연구성과물입니다.

Abstract InP quantum dots serve as solid candidates for the next-generation displays, yet their limited external quantum efficiencies have been the primary concern towards establishing self-luminous QD displays. At the heart of the problem lies our lack of understanding of how surface ligands affect the InP quantum dot properties. Here, we use density functional theory calculations to study the effect of ligand chemistry (amines, carboxylate ions, and halide ions) and coverage on the InP surface energies, equilibrium crystal shapes, and density of states. In terms of ligand chemistry, amine adsorption leads to (111)In facet-dominant octahedral Wulff shapes, while high coverage of halide results in (100)In facet-dominant cubic shapes. The computed density of states shows that the n-type defects in bare (111)In surfaces disappear upon anion adsorption, while the trap states in bare (100)In surfaces persist either with n-type or p-type upon ligand adsorption. The divergence between thermodynamically stable InP Wulff shapes and trap-suppressed InP facets call for mixed ligation strategies. Highlights We compute the ligated surface energies of InP under various synthesis conditions. NH2 and F− ligands lead to (100)- and (111)-dominant Wulff shapes, respectively. The computed Wulff shapes suggest potential InP QD synthesis strategies. The density of states of ligated surfaces suggest QD passivation strategies. Graphical abstract [DISPLAY OMISSION]

[해외논문] Suggestions for the Proper Treatment of Buoyancy Force Effect on Single Phase Thermal Stratification Phenomenon

Lee, Gong-Hee (Department of Regulatory Assessment, Korea Institute of Nuclear Safety, Daejeon, Republic of Korea)
Heat transfer engineering v.43 no.3/5 ,pp. 283 - 299 , 2022 , 0145-7632 , Informa UK (TaylorFrancis)

이 논문은 국가슈퍼컴퓨팅센터 프로그램 연구성과물입니다.
[해외논문] Microplasma Band Structure Engineering in Graphene Quantum Dots for Sensitive and Wide-Range pH Sensing

Kurniawan, Darwin (Department of Chemical Engineering , National Taiwan University of Science and Technology , Taipei 10607 , Taiwan) , Anjali, Bai Amutha (School of Chemical Engineering , Pusan National University , 46241 Busan , Korea (South)) , Setiawan, Owen (Department of Chemical Engineering , National Taiwan University of Science and Technology , Taipei 10607 , Taiwan) , Ostrikov, Kostya Ken (School of Chemistry and Physics and QUT Centre for Materials Science , Queensland University of Technology (QUT) , Brisbane , QLD 4000 , Australia) , Chung, Yongchul G. , Chiang, Wei-Hung
ACS applied materials & interfaces v.14 no.1 ,pp. 1670 - 1683 , 2022 , 1944-8244 , American Chemical Society

이 논문은 국가슈퍼컴퓨팅센터 프로그램 연구성과물입니다.

pH sensing using active nanomaterials is promising in many fields ranging from chemical reactions to biochemistry, biomedicine, and environmental safety especially in the nanoscale. However, it is still challenging to achieve nanotechnology-enhanced rapid, sensitive, and quantitative pH detection with stable, biocompatible, and cost-effective materials. Here, we report a rational design of nitrogen-doped graphene quantum dot (NGQD)-based pH sensors by boosting the NGQD pH sensing properties via microplasma-enabled band-structure engineering. Effectively and economically, the emission-tunable NGQDs can be synthesized from earth-abundant chitosan biomass precursor by controlling the microplasma chemistry under ambient conditions. Advanced spectroscopy measurements and density functional theory (DFT) calculations reveal that functionality-tuned NGQDs with enriched −OH functional groups and stable and large Stokes shift along the variations of pH value can achieve rapid, label-free, and ionic-stable pH sensing with a wide sensing range from pH 1.8 to 13.6. The underlying mechanism of pH sensing is related to the protonation/deprotonation of −OH group of NGQDs, leading to the maximum pH-dependent luminescence peak shift along with the bandgap broadening or narrowing. In just 1 h, a single microplasma jet can produce a stable colloidal NGQD dispersion with 10 mg/mL concentration lasting for at least 100 pH detections, and the process is scalable. This approach is generic and opens new avenues for nanographene-based materials synthesis for applications in sensing, nanocatalysis, energy generation and conversion, quantum optoelectronics, bioimaging, and drug delivery.[FIG OMISSION]

[해외논문] Artificial Adaptive and Maladaptive Sensory Receptors Based on a Surface‐Dominated Diffusive Memristor

Song, Young Geun (Electronic Materials Research Center Korea Institute of Science and Technology (KIST) Seoul 02791 Republic of Korea) , Suh, Jun Min (Department of Materials Science and Engineering Seoul National University Seoul 08826 Republic of Korea) , Park, Jae Yeol (Department of Materials Science & Engineering Korea Advanced Institute of Science and Technology (KAIST) Daejeon 34141 Republic of Korea) , Kim, Ji Eun (Electronic Materials Research Center Korea Institute of Science and Technology (KIST) Seoul 02791 Republic of Korea) , Chun, Suk Yeop (Electronic Materials Research Center Korea Institute of Science and Technology (KIST) Seoul 02791 Republic of Korea) , Kwon, Jae Uk (Electronic Materials Research Center Korea Institute of Science and Technology (KIST) Seoul 02791 Republic of Korea) , Lee, Ho (Department of Nuclear Engineering Hanyang University Se) , Jang, Ho Won , Kim, Sangtae , Kang, Chong‐ , Yun , Yoon, Jung Ho
Advanced science v.9 no.4 ,pp. 2103484 , 2022 , John Wiley and Sons Inc.

이 논문은 국가슈퍼컴퓨팅센터 프로그램 연구성과물입니다.

AbstractA biological receptor serves as sensory transduction from an external stimulus to an electrical signal. It allows humans to better match the environment by filtering out repetitive innocuous information and recognize potentially damaging stimuli through key features, including adaptive and maladaptive behaviors. Herein, for the first time, the authors develop substantial artificial receptors involving both adaptive and maladaptive behaviors using diffusive memristor. Metal‐oxide nanorods (NR) as a switching matrix enable the electromigration of an active metal along the surface of the NRs under electrical stimulation, resulting in unique surface‐dominated switching dynamics with the advantage of fast Ag migration and fine controllability of the conductive filament. To experimentally demonstrate its potential application, a thermoreceptor system is constructed using memristive artificial receptors. The proposed surface‐dominated diffusive memristor allows the direct emulation of the biological receptors, which represents an advance in the bioinspired technology adopted in creating artificial intelligence systems.

[해외논문] Asymmetrical response of summer rainfall in East Asia to CO2 forcing

Song, Se-Yong , Yeh, Sang-Wook , An, Soon-Il , Kug, Jong-Seong , Min, Seung-Ki , Son, Seok-Woo , Shin, Jongsoo
Science bulletin = 科學通報 (英文版) v.67 no.2 ,pp. 213 - 222 , 2022 , 2095-9273 , Elsevier

이 논문은 국가슈퍼컴퓨팅센터 프로그램 연구성과물입니다.
[해외논문] Unravelling the K-promotion effect in highly active and stable Fe5C2 nanoparticles for catalytic linear α-olefin production

Lee, Jin Hee (Clean Fuel Laboratory) , Lee, Hack-Keun (Clean Fuel Laboratory) , Kim, Kwangsoo (Platform Technology Laboratory) , Rhim, Geun Bae (Carbon Conversion Laboratory, Korea Institute of Energy Research) , Youn, Min Hye (Carbon Conversion Laboratory, Korea Institute of Energy Research) , Jeong, Heondo (Carbon Conversion Laboratory, Korea Institute of Energy Research) , Park, Jong Hyeok (Department of Chemical and Biomolecular Engineering) , Chun, Dong Hyun (Carbon Conversion Laboratory, Korea Institute of Energy Research) , Kim, Byung-Hyun (Platform Technology Laboratory) , Park, Ji Chan (Clean Fuel Laboratory)
Materials advances v.2 no.3 ,pp. 1050 - 1058 , 2021 , The Royal Society of Chemistry

이 논문은 국가슈퍼컴퓨팅센터 프로그램 연구성과물입니다.

C5-C13 linear alpha(α) olefins (LAOs) are high-value-added chemicals acknowledged by industry. However, using catalysts to elevate the activity and selectivity of LAOs remains a major challenge for Fischer-Tropsch synthesis (FTS). Recently, researchers on catalyst design have reported enhanced LAO production via FTS, but a more detailed understanding of the electron interactions between the active particles and hydrocarbon products is still needed. In the present paper, we report theoretical and experimental results of a potassium (K)-promotion effect on an optimized iron-carbide nanocatalyst (i.e. a carbon-encapsulated iron-carbide nanoparticle supported on nitrogen-doped porous carbon: Fe5C2@C/NPC). The K-doped Fe5C2@C/NPC nanocatalyst shows excellent catalytic performance with a high CO conversion of up to 96.7% at 78 h time-on-stream, C5-C13 LAO selectivity of 16.5% and productivity of 5.9 CH2 μmol gcat−1 s−1, compared to those of the K-free Fe5C2@C/NPC catalyst. The computer simulation model also supports the positive effects of the catalyst with a small amount of K (ca. 1 wt%, K/Fe = 0.05) in the FTS reaction, which well-matched the experimental results.

[해외논문] The completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey: N-body mock challenge for galaxy clustering measurements

Rossi, Graziano (Department of Physics and Astronomy, Sejong University, Seoul 143-747, Korea) , Choi, Peter D (Department of Physics and Astronomy, Sejong University, Seoul 143-747, Korea) , Moon, Jeongin (Department of Physics and Astronomy, Sejong University, Seoul 143-747, Korea) , Bautista, Julian E (Institute of Cosmology and Gravitation, Dennis Sciama Building, University of Portsmouth, Portsmouth PO1 3FX, UK) , Gil-Marí (Institut de Ciè) , n, Hector (ncies del Cosmos, Universitat de Barcelona, ICCUB, Martí) , Paviot, Romain (i Franquè) , Vargas-Magañ (s 1, E-08028 Barcelona, Spain) , a, Mariana (Aix Marseille Univ., CNRS, CNES, LAM, 13388 Marseille cedex 13, France) , de la Torre, Sylvain (Instituto de Fí) , Fromenteau, Sebastien (sica, Universidad Nacional Autó) , Ross, Ashley J (noma de Mé) , Á (xico, Apdo. Postal 20-364 Ciudad de Mé) , vila, Santiago (xico, Mé) , Burtin, Etienne (xico) , Dawson, Kyle S (Aix Marseille Univ., CNRS, CNES, LAM, 13388 Marseille cedex 13, France) , Escoffier, Sté (Instituto de Ciencias Fí) , phanie (sicas, Universidad Nacional Autó) , Habib, Salman (noma de Mé) , Heitmann, Katrin (xico, Av. Universidad s/n, 62210 Cuernavaca, Mor., Mexico) , Hou, Jiamin (Center for Cosmology and Astro-Particle Physics, Ohio State University, Colum) , Mueller, Eva-Maria , Percival, Will J , Smith, Alex , Zhao, Cheng , Zhao, Gong-Bo
Monthly notices of the Royal Astronomical Society v.505 no.1 ,pp. 377 - 407 , 2021 , 0035-8711 , Oxford University Press

이 논문은 국가슈퍼컴퓨팅센터 프로그램 연구성과물입니다.

ABSTRACTWe develop a series of N-body data challenges, functional to the final analysis of the extended Baryon Oscillation Spectroscopic Survey (eBOSS) Data Release 16 (DR16) galaxy sample. The challenges are primarily based on high-fidelity catalogues constructed from the Outer Rim simulation - a large box size realization (3h−1Gpc) characterized by an unprecedented combination of volume and mass resolution, down to 1.85 × 109h−1M⊙. We generate synthetic galaxy mocks by populating Outer Rim haloes with a variety of halo occupation distribution (HOD) schemes of increasing complexity, spanning different redshift intervals. We then assess the performance of three complementary redshift space distortion (RSD) models in configuration and Fourier space, adopted for the analysis of the complete DR16 eBOSS sample of Luminous Red Galaxies (LRGs). We find all the methods mutually consistent, with comparable systematic errors on the Alcock-Paczynski parameters and the growth of structure, and robust to different HOD prescriptions - thus validating the robustness of the models and the pipelines used for the baryon acoustic oscillation (BAO) and full shape clustering analysis. In particular, all the techniques are able to recover α∥ and α⊥ to within $0.9{{\ \rm per\ cent}}$, and fσ8 to within $1.5{{\ \rm per\ cent}}$. As a by-product of our work, we are also able to gain interesting insights on the galaxy-halo connection. Our study is relevant for the final eBOSS DR16 ‘consensus cosmology’, as the systematic error budget is informed by testing the results of analyses against these high-resolution mocks. In addition, it is also useful for future large-volume surveys, since similar mock-making techniques and systematic corrections can be readily extended to model for instance the Dark Energy Spectroscopic Instrument (DESI) galaxy sample.

[해외논문] Low Barrier for Exciton Self-Trapping Enables High Photoluminescence Quantum Yield in Cs3Cu2I5

Jung, Young-Kwang (Department of Materials Science and Engineering , Yonsei University , Seoul 03722 , Korea) , Kim, Sunghyun (Department of Materials Science and Engineering , Yonsei University , Seoul 03722 , Korea) , Kim, Yong Churl (Samsung Electronics Materials Research Complex , Samsung Advanced Institute of Technology (SAIT) , Suwon 443-803 , Korea) , Walsh, Aron
The journal of physical chemistry letters v.12 no.34 = no.34 ,pp. 8447 - 8452 , 2021 , American Chemical Society

이 논문은 국가슈퍼컴퓨팅센터 프로그램 연구성과물입니다.

The metal halide Cs3Cu2I5 displays anomalous optical properties: an optical absorption onset in the ultraviolet region (∼ 330 nm) with highly efficient luminescence in the blue region (∼ 445 nm). Although self-trapped exciton formation has been proposed as the origin of giant Stokes shift, its connection to the photoluminescence quantum yield exceeding 90% remains unknown. Here, we explore the photochemistry of Cs3Cu2I5 from first-principles and reveal a low energy barrier for exciton self-trapping associated with Cu-Cu dimerization. Kinetic analysis shows that the quantum yield of blue emission in Cs3Cu2I5 is sensitive to the excited carrier density due to the competition between exciton self-trapping and band-to-band radiative recombination.[FIG OMISSION]

[해외논문] Molecular Mechanism of Gas Diffusion in Ice-Ih

Yi, Yoo Soo (Department of Geology , Kangwon National University , Chuncheon 24341 , Korea) , Han, Yeongcheol (School of Earth and Environmental Sciences , Seoul National University , Seoul 08826 , Korea) , Kwon, Kideok D. (Division of Glacial Environment Research , Korea Polar Research Institute , Incheon 21990 , Korea) , Lee, Sung Keun , Hur, Soon Do
ACS earth and space chemistry v.5 no.11 ,pp. 3258 - 3267 , 2021 , American Chemical Society

이 논문은 국가슈퍼컴퓨팅센터 프로그램 연구성과물입니다.

Atmospheric gases trapped in polar ice have been used to reconstruct polar and global climate changes, providing better time resolution when less diffused. Experiments have shown that gas diffusion in ice is negligible on a laboratory time scale, but its cumulative impact on old glacial ice (>1M yr) remains unclear. Here, we employ density functional theory calculations to investigate the diffusion mechanism of gases trapped in ice-Ih from the atomistic level. The results suggest that the diffusion energy barrier between interstitial sites is primarily dependent on the atomic size and charge distribution of hopping gases. The diffusion of noble gases (He, Ne, Ar, Kr, and Xe) primarily occurs via the interstitial mechanism, consistent with previous results of classical molecular dynamics simulations. In contrast, the precisely determined diffusion paths and energy barriers for CO2, O2, and N2 suggest that these molecular gases prefer to hop along the hexagonal channel also via the interstitial mechanism, and the bond-breaking mechanism proposed previously to explain the diffusion of those molecular gases as fast as Ne may be unnecessary.[FIG OMISSION]

맨위로