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Ultrafast Quantum Motion in a Nanoscale Trap Detected
< Professor Heung-Sun Sim (left) and Co-author Dr. Sungguen Ryu (right) >
KAIST researchers have reported the detection of a picosecond electron motion in a silicon transistor. This study has presented a new protocol for measuring ultrafast electronic dynamics in an effective time-resolved fashion of picosecond resolution. The detection was made in collaboration with Nippon Telegraph and Telephone Corp. (NTT) in Japan and National Physical Laboratory (NPL) in the UK and is the first report to the best of our knowledge.
When an electron is captured in a nanoscale trap in solids, its quantum mechanical wave function can exhibit spatial oscillation at sub-terahertz frequencies. Time-resolved detection of such picosecond dynamics of quantum waves is important, as the detection provides a way of understanding the quantum behavior of electrons in nano-electronics. It also applies to quantum information technologies such as the ultrafast quantum-bit operation of quantum computing and high-sensitivity electromagnetic-field sensing. However, detecting picosecond dynamics has been a challenge since the sub-terahertz scale is far beyond the latest bandwidth measurement tools.
A KAIST team led by Professor Heung-Sun Sim developed a theory of ultrafast electron dynamics in a nanoscale trap, and proposed a scheme for detecting the dynamics, which utilizes a quantum-mechanical resonant state formed beside the trap. The coupling between the electron dynamics and the resonant state is switched on and off at a picosecond so that information on the dynamics is read out on the electric current being generated when the coupling is switched on.
NTT realized, together with NPL, the detection scheme and applied it to electron motions in a nanoscale trap formed in a silicon transistor. A single electron was captured in the trap by controlling electrostatic gates, and a resonant state was formed in the potential barrier of the trap.
The switching on and off of the coupling between the electron and the resonant state was achieved by aligning the resonance energy with the energy of the electron within a picosecond. An electric current from the trap through the resonant state to an electrode was measured at only a few Kelvin degrees, unveiling the spatial quantum-coherent oscillation of the electron with 250 GHz frequency inside the trap.
Professor Sim said, “This work suggests a scheme of detecting picosecond electron motions in submicron scales by utilizing quantum resonance. It will be useful in dynamical control of quantum mechanical electron waves for various purposes in nano-electronics, quantum sensing, and quantum information”.
This work was published online at Nature Nanotechnology on November 4. It was partly supported by the Korea National Research Foundation through the SRC Center for Quantum Coherence in Condensed Matter. For more on the NTT news release this article, please visit https://www.ntt.co.jp/news2019/1911e/191105a.html
-ProfileProfessor Heung-Sun Sim
Department of PhysicsDirector, SRC Center for Quantum Coherence in Condensed Matterhttps://qet.kaist.ac.kr KAIST
-Publication:Gento Yamahata, Sungguen Ryu, Nathan Johnson, H.-S. Sim, Akira Fujiwara, and Masaya Kataoka. 2019. Picosecond coherent electron motion in a silicon single-electron source. Nature Nanotechnology (Online Publication). 6 pages. https://doi.org/10.1038/s41565-019-0563-2
2019.11.05 View 19215 -
SaTReC, Birthplace of Korea’s First Satellite, Celebrates 30th Anniversary
< SaTReC researchers who developed Korea's first satellite, KITSAT-1 >
The Satellite Technology Research Center (SaTReC) at KAIST, which launched the Korea’s first satellite KITSAT-1, celebrated 30 years in operation last week. A ceremony in honor of this milestone was held on campus on October 30. With the launching of KITSAT-1 in 1992, SaTReC paved the way for space research in Korea, and helped the nation achieve technological independence and strengthen competitiveness in the field.
The ceremony was attended by over 100 affiliates from academia and industry, including the family of the late Dr. Soon-dal Choi, the first director of SaTReC also known as the father of the first Korean satellite KITSAT-1 (nicknamed “Our Star” in Korean). His family members traveled all the way from the US to Korea for the event. A plaque of appreciation was posthumously awarded to the family of former Director Choi in memory of his pioneering Korean satellite research.
Right after the establishment of SaTReC in 1989, Dr.Choi dispatched five KAIST students to the University of Surrey in the UK to develop the Korea’s first satellite KITSAT-1 under a bilateral agreement for a joint research program.
KITSAT-1, completed in collaboration with Surrey researchers, was successfully launched from the Guiana Space Center in August 1992. Through this launch, Korea became the 22nd nation to own a satellite, and launched the domestically produced follow-up satellite KITSAT-2 in September 1993.
Since then, SaTReC has developed a total of nine satellites, including three in the KITSAT series in the 1990s as well as five STSATs and one Next-Generation Small Satellite in the 2000s. These satellites are still in operation today, thanks to SaTReC’s constant maintenance.
SaTReC is still contributing to the verification of core space technologies and Earth and space observation technologies using small satellites. It is also training specialized personnel in national space research and development.
Most significantly, STSAT-2C, also commonly known as the Naro Science Satellite, was launched on January 30, 2013 and served an important role in allowing the first Korean launch vehicle Naro-1 (KSLV-1) to enter into orbit.
SaTReC researchers are now working on developing a Next-Generation Small Satellite named NEXTSat-2 that boasts a Synthetic Aperture Radar (SAR) system developed with domestic technology. NEXTSat-2 will be launched in 2022 from Korean soil, carried by a Korean launch vehicle developed with local technology.
Director of SaTReC Sejin Kwon said, “We will follow the noble spirit of the late Dr. Soon-dal Choi, who dedicated his entire life to the nation’s satellite research and bolstered our commitment to the development of Korea’s future space technology.” He added, “We will pursue our dreams of space exploration with a sense of social responsibility to pay back to society the benefits reaped from space technology.”
The ceremony was followed by a Future Space Technology Workshop, where eight KAIST professors participated as speakers.
< Timeline of Korea's Satellite Research and Development >
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2019.11.05 View 7390 -
Tungsten Suboxide Improves the Efficiency of Platinum in Hydrogen Production
< PhD Candidate Jinkyu Park and Professor Jinwoo Lee >
Researchers presented a new strategy for enhancing catalytic activity using tungsten suboxide as a single-atom catalyst (SAC). This strategy, which significantly improves hydrogen evolution reaction (HER) in metal platinum (pt) by 16.3 times, sheds light on the development of new electrochemical catalyst technologies.
Hydrogen has been touted as a promising alternative to fossil fuels. However, most of the conventional industrial hydrogen production methods come with environmental issues, releasing significant amounts of carbon dioxide and greenhouse gases.
Electrochemical water splitting is considered a potential approach for clean hydrogen production. Pt is one of the most commonly used catalysts to improve HER performance in electrochemical water splitting, but the high cost and scarcity of Pt remain key obstacles to mass commercial applications.
SACs, where all metal species are individually dispersed on a desired support material, have been identified as one way to reduce the amount of Pt usage, as they offer the maximum number of surface exposed Pt atoms.
Inspired by earlier studies, which mainly focused on SACs supported by carbon-based materials, a KAIST research team led by Professor Jinwoo Lee from the Department of Chemical and Biomolecular Engineering investigated the influence of support materials on the performance of SACs.
Professor Lee and his researchers suggested mesoporous tungsten suboxide as a new support material for atomically dispersed Pt, as this was expected to provide high electronic conductivity and have a synergetic effect with Pt.
They compared the performance of single-atom Pt supported by carbon and tungsten suboxide respectively. The results revealed that the support effect occurred with tungsten suboxide, in which the mass activity of a single-atom Pt supported by tungsten suboxide was 2.1 times greater than that of single-atom Pt supported by carbon, and 16.3 times higher than that of Pt nanoparticles supported by carbon.
The team indicated a change in the electronic structure of Pt via charge transfer from tungsten suboxide to Pt. This phenomenon was reported as a result of strong metal-support interaction between Pt and tungsten suboxide.
HER performance can be improved not only by changing the electronic structure of the supported metal, but also by inducing another support effect, the spillover effect, the research group reported. Hydrogen spillover is a phenomenon where adsorbed hydrogen migrates from one surface to another, and it occurs more easily as the Pt size becomes smaller.
The researchers compared the performance of single-atom Pt and Pt nanoparticles supported by tungsten suboxide. The single-atom Pt supported by tungsten suboxide exhibited a higher degree of hydrogen spillover phenomenon, which enhanced the Pt mass activity for hydrogen evolution up to 10.7 times compared to Pt nanoparticles supported by tungsten suboxide.
Professor Lee said, “Choosing the right support material is important for improving electrocatalysis in hydrogen production. The tungsten suboxide catalyst we used to support Pt in our study implies that interactions between the well-matched metal and support can drastically enhance the efficiency of the process.”
This research was supported by the Ministry of Science and ICT and introduced in the International Edition of the German journal Angewandte Chemie.
Figure. Schematic representation of hydrogen evolution reaction (HER) of pseudo single-atom Pt supported by tungsten suboxide
-Publication
Jinkyu Park, Dr. Seonggyu Lee, Hee-Eun Kim, Ara Cho, Seongbeen Kim, Dr. Youngjin Ye, Prof. Jeong Woo Han, Prof. Hyunjoo Lee, Dr. Jong Hyun Jang, and Prof. Jinwoo Lee. 2019. Investigation of the Support Effect in Atomically Dispersed Pt on WO3−x for Utilization of Pt in the Hydrogen Evolution Reaction. International Edition of Angewandte Chemie. Volume No. 58. Issue No. 45. 6 pages. https://doi.org/10.1002/anie.201908122
-ProfileProfessor Jinwoo LeeConvergence of Energy and Nano Science Laboratoryhttp://cens.kaist.ac.kr
Department of Chemical and Biomolecular EngineeringKAIST
2019.10.28 View 22450 -
Image Analysis to Automatically Quantify Gender Bias in Movies
Many commercial films worldwide continue to express womanhood in a stereotypical manner, a recent study using image analysis showed. A KAIST research team developed a novel image analysis method for automatically quantifying the degree of gender bias in films.
The ‘Bechdel Test’ has been the most representative and general method of evaluating gender bias in films. This test indicates the degree of gender bias in a film by measuring how active the presence of women is in a film. A film passes the Bechdel Test if the film (1) has at least two female characters, (2) who talk to each other, and (3) their conversation is not related to the male characters.
However, the Bechdel Test has fundamental limitations regarding the accuracy and practicality of the evaluation. Firstly, the Bechdel Test requires considerable human resources, as it is performed subjectively by a person. More importantly, the Bechdel Test analyzes only a single aspect of the film, the dialogues between characters in the script, and provides only a dichotomous result of passing the test, neglecting the fact that a film is a visual art form reflecting multi-layered and complicated gender bias phenomena. It is also difficult to fully represent today’s various discourse on gender bias, which is much more diverse than in 1985 when the Bechdel Test was first presented.
Inspired by these limitations, a KAIST research team led by Professor Byungjoo Lee from the Graduate School of Culture Technology proposed an advanced system that uses computer vision technology to automatically analyzes the visual information of each frame of the film. This allows the system to more accurately and practically evaluate the degree to which female and male characters are discriminatingly depicted in a film in quantitative terms, and further enables the revealing of gender bias that conventional analysis methods could not yet detect.
Professor Lee and his researchers Ji Yoon Jang and Sangyoon Lee analyzed 40 films from Hollywood and South Korea released between 2017 and 2018. They downsampled the films from 24 to 3 frames per second, and used Microsoft’s Face API facial recognition technology and object detection technology YOLO9000 to verify the details of the characters and their surrounding objects in the scenes.
Using the new system, the team computed eight quantitative indices that describe the representation of a particular gender in the films. They are: emotional diversity, spatial staticity, spatial occupancy, temporal occupancy, mean age, intellectual image, emphasis on appearance, and type and frequency of surrounding objects.
Figure 1. System Diagram
Figure 2. 40 Hollywood and Korean Films Analyzed in the Study
According to the emotional diversity index, the depicted women were found to be more prone to expressing passive emotions, such as sadness, fear, and surprise. In contrast, male characters in the same films were more likely to demonstrate active emotions, such as anger and hatred.
Figure 3. Difference in Emotional Diversity between Female and Male Characters
The type and frequency of surrounding objects index revealed that female characters and automobiles were tracked together only 55.7 % as much as that of male characters, while they were more likely to appear with furniture and in a household, with 123.9% probability.
In cases of temporal occupancy and mean age, female characters appeared less frequently in films than males at the rate of 56%, and were on average younger in 79.1% of the cases. These two indices were especially conspicuous in Korean films.
Professor Lee said, “Our research confirmed that many commercial films depict women from a stereotypical perspective. I hope this result promotes public awareness of the importance of taking prudence when filmmakers create characters in films.”
This study was supported by KAIST College of Liberal Arts and Convergence Science as part of the Venture Research Program for Master’s and PhD Students, and will be presented at the 22nd ACM Conference on Computer-Supported Cooperative Work and Social Computing (CSCW) on November 11 to be held in Austin, Texas.
Publication:
Ji Yoon Jang, Sangyoon Lee, and Byungjoo Lee. 2019. Quantification of Gender Representation Bias in Commercial Films based on Image Analysis. In Proceedings of the 22nd ACM Conference on Computer-Supported Cooperative Work and Social Computing (CSCW). ACM, New York, NY, USA, Article 198, 29 pages. https://doi.org/10.1145/3359300
Link to download the full-text paper:
https://files.cargocollective.com/611692/cscw198-jangA--1-.pdf
Profile: Prof. Byungjoo Lee, MD, PhD
byungjoo.lee@kaist.ac.kr
http://kiml.org/
Assistant Professor
Graduate School of Culture Technology (CT)
Korea Advanced Institute of Science and Technology (KAIST)
https://www.kaist.ac.kr Daejeon 34141, Korea
Profile: Ji Yoon Jang, M.S.
yoone3422@kaist.ac.kr
Interactive Media Lab
Graduate School of Culture Technology (CT)
Korea Advanced Institute of Science and Technology (KAIST)
https://www.kaist.ac.kr Daejeon 34141, Korea
Profile: Sangyoon Lee, M.S. Candidate
sl2820@kaist.ac.kr
Interactive Media Lab
Graduate School of Culture Technology (CT)
Korea Advanced Institute of Science and Technology (KAIST)
https://www.kaist.ac.kr Daejeon 34141, Korea
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2019.10.17 View 27068 -
A Mathematical Model Reveals Long-Distance Cell Communication Mechanism
How can tens of thousands of people in a large football stadium all clap together with the same beat even though they can only hear the people near them clapping?
A combination of a partial differential equation and a synthetic circuit in microbes answers this question. An interdisciplinary collaborative team of Professor Jae Kyoung Kim at KAIST, Professor Krešimir Josić at the University of Houston, and Professor Matt Bennett at Rice University has identified how a large community can communicate with each other almost simultaneously even with very short distance signaling. The research was reported at Nature Chemical Biology.
Cells often communicate using signaling molecules, which can travel only a short distance. Nevertheless, the cells can also communicate over large distances to spur collective action. The team revealed a cell communication mechanism that quickly forms a network of local interactions to spur collective action, even in large communities.
The research team used an engineered transcriptional circuit of combined positive and negative feedback loops in E. coli, which can periodically release two types of signaling molecules: activator and repressor. As the signaling molecules travel over a short distance, cells can only talk to their nearest neighbors. However, cell communities synchronize oscillatory gene expression in spatially extended systems as long as the transcriptional circuit contains a positive feedback loop for the activator.
Professor Kim said that analyzing and understanding such high-dimensional dynamics was extremely difficult. He explained, “That’s why we used high-dimensional partial differential equation to describe the system based on the interactions among various types of molecules.” Surprisingly, the mathematical model accurately simulates the synthesis of the signaling molecules in the cell and their spatial diffusion throughout the chamber and their effect on neighboring cells.
The team simplified the high-dimensional system into a one-dimensional orbit, noting that the system repeats periodically. This allowed them to discover that cells can make one voice when they lowered their own voice and listened to the others. “It turns out the positive feedback loop reduces the distance between moving points and finally makes them move all together. That’s why you clap louder when you hear applause from nearby neighbors and everyone eventually claps together at almost the same time,” said Professor Kim.
Professor Kim added, “Math is a powerful as it simplifies complex thing so that we can find an essential underlying property. This finding would not have been possible without the simplification of complex systems using mathematics."
The National Institutes of Health, the National Science Foundation, the Robert A. Welch Foundation, the Hamill Foundation, the National Research Foundation of Korea, and the T.J. Park Science Fellowship of POSCO supported the research.
(Figure: Complex molecular interactions among microbial consortia is simplified as interactions among points on a limit cycle (right).)
2019.10.15 View 28895 -
Two Professors Recognized for the National R&D Excellence 100
< Professor Haeng-Ki Lee (left) and Professor Jeong-Ho Lee (right) >
Two KAIST professors were listed among the 2019 National R&D Excellence 100 announced by the Ministry of Science and ICT and the Korea Institute of S&T Evaluation and Planning.
Professor Haeng-Ki Lee from the Department of Civil and Environmental Engineering was recognized in the field of mechanics and materials for his research on developing new construction materials through the convergence of nano- and biotechnologies.
In the field of life and marine science, Professor Jeong-Ho Lee from the Graduate School of Medical Science and Engineering was lauded for his research of diagnostic tools and therapies for glioblastoma and pediatric brain tumors.
A certificate from the Minister of Ministry of Science and ICT will be conferred to these two professors, and their names will be inscribed on a special 2019 National R&D Excellence 100 plaque to celebrate their achievements. The professors will also be given privileges during the process of new R&D project selection.
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2019.10.15 View 13257 -
Object Identification and Interaction with a Smartphone Knock
(Professor Lee (far right) demonstrate 'Knocker' with his students.)
A KAIST team has featured a new technology, “Knocker”, which identifies objects and executes actions just by knocking on it with the smartphone. Software powered by machine learning of sounds, vibrations, and other reactions will perform the users’ directions.
What separates Knocker from existing technology is the sensor fusion of sound and motion. Previously, object identification used either computer vision technology with cameras or hardware such as RFID (Radio Frequency Identification) tags. These solutions all have their limitations. For computer vision technology, users need to take pictures of every item. Even worse, the technology will not work well in poor lighting situations. Using hardware leads to additional costs and labor burdens.
Knocker, on the other hand, can identify objects even in dark environments only with a smartphone, without requiring any specialized hardware or using a camera. Knocker utilizes the smartphone’s built-in sensors such as a microphone, an accelerometer, and a gyroscope to capture a unique set of responses generated when a smartphone is knocked against an object. Machine learning is used to analyze these responses and classify and identify objects.
The research team under Professor Sung-Ju Lee from the School of Computing confirmed the applicability of Knocker technology using 23 everyday objects such as books, laptop computers, water bottles, and bicycles. In noisy environments such as a busy café or on the side of a road, it achieved 83% identification accuracy. In a quiet indoor environment, the accuracy rose to 98%.
The team believes Knocker will open a new paradigm of object interaction. For instance, by knocking on an empty water bottle, a smartphone can automatically order new water bottles from a merchant app. When integrated with IoT devices, knocking on a bed’s headboard before going to sleep could turn off the lights and set an alarm. The team suggested and implemented 15 application cases in the paper, presented during the 2019 ACM International Joint Conference on Pervasive and Ubiquitous Computing (UbiComp 2019) held in London last month.
Professor Sung-Ju Lee said, “This new technology does not require any specialized sensor or hardware. It simply uses the built-in sensors on smartphones and takes advantage of the power of machine learning. It’s a software solution that everyday smartphone users could immediately benefit from.” He continued, “This technology enables users to conveniently interact with their favorite objects.”
The research was supported in part by the Next-Generation Information Computing Development Program through the National Research Foundation of Korea funded by the Ministry of Science and ICT and an Institute for Information & Communications Technology Promotion (IITP) grant funded by the Ministry of Science and ICT.
Figure: An example knock on a bottle. Knocker identifies the object by analyzing a unique set of responses from the knock, and automatically launches a proper application or service.
2019.10.02 View 29379 -
Professor Hyun Gyu Park Appointed as Associate Editor for Biosensors and Bioelectronics
Professor Hyun Gyu Park from the Department of Chemical and Biomolecular Engineering was appointed as an associate editor for Biosensors and Bioelectronics, an international journal published by Elsevier.
Biosensors and Bioelectronics is one of the top SCI journals in the fields of chemistry and analytical science (IF 9.518 as of 2018). Professor Park was recognized and appointed as the associate editor for this journal due to his outstanding research achievements in the fields of nucleic acid engineering, biosensors, and nanobiotechnology.
Professor Park will serve as the associate editor from this October until December 2021.
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2019.10.01 View 8446 -
Chair Professor Jo-Won Lee Named Sixth President of National Nano Fab Center
< President Jo-Won Lee >
Chair professor Jo-Won Lee from Hanyang University was appointed as the sixth president of the National Nano Fab Center (NNFC). President Lee will serve his term for three years from September 16.
The NNFC is an affiliated institution of KAIST, established in 2002 to foster qualified manpower in the field of nanotechnology (NT) in Korea. The NNFC features cutting-edge NT-related research equipment and fabrication services, and provides students and researchers quality education and training. The NNFC seeks to become a world-leading institute by performing extensive business operations including the commercialization of NT research results and conducting various multidisciplinary projects.
President Lee received his BS degree from Hanyang University and his MS and PhD degrees in metals science from the Pennsylvania State University. He taught nano-conversion science at his alma mater, Hanyang University, while serving as the director of the National Program for Tera-level Nanodevices. President Lee also guided the governmental planning committee for the 10-year Korea Nanotechnology Initiative as secretary general.
President Lee said, “The NNFC has been striving to develop Korea as the world’s strongest nation in nanotechnology thus far. All of the members of the NNFC will continue giving our best effort for the improvement of our nation’s nanotechnology.”
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2019.09.17 View 4436 -
Sungjoon Park Named Google PhD Fellow
PhD candidate Sungjoon Park from the School of Computing was named a 2019 Google PhD Fellow in the field of natural language processing. The Google PhD fellowship program has recognized and supported outstanding graduate students in computer science and related fields since 2009. Park is one of three Korean students chosen as the recipients of Google Fellowships this year. A total of 54 students across the world in 12 fields were awarded this fellowship.
Park’s research on computational psychotherapy using natural language processing (NLP) powered by machine learning earned him this year’s fellowship. He presented of learning distributed representations in Korean and their interpretations during the 2017 Annual Conference of the Association for Computational Linguistics and the 2018 Conference on Empirical Methods in Natural Language Processing. He also applied machine learning-based natural language processing into computational psychotherapy so that a trained machine learning model could categorize client's verbal responses in a counseling dialogue. This was presented at the Annual Conference of the North American Chapter of the Association for Computational Linguistics.
More recently, he has been developing on neural response generation model and the prediction and extraction of complex emotion in text, and computational psychotherapy applications.
2019.09.17 View 9920 -
Two More Cross-generation Collaborative Labs Open
< President Sung-Chul Shin (sixth from the left) and Professor Sun Chang Kim (seventh from the left) at the signboard ceremony of KAIST BioDesigneering Laboratory >
KAIST opened two more cross-generation collaborative labs last month. KAIST BioDesigneering Laboratory headed by Professor Sun Chang Kim from the Department of Biological Sciences and Nanophotonics Laboratory led by Professor Yong-Hee Lee from the Department of Physics have been selected to receive 500 million KRW funding for five years.
A four-member selection committee including the former President of ETH Zürich Professor Emeritus Ralph Eichler and Professor Kwang-Soo Kim of Harvard Medical School conducted a three-month review and evaluation for this selection to be made. With these two new labs onboard, a total of six cross-generation collaborative labs will be operated on campus.
The operation of cross-generation collaborative labs has been in trial since March last year, as one of the KAIST’s Vision 2031 research innovation initiatives. This novel approach is to pair up senior and junior faculty members for sustaining research and academic achievements even after the senior researcher retires, so that the spectrum of knowledge and research competitiveness can be extended to future generations. The selected labs will be funded for five years, and the funding will be extended if necessary. KAIST will continue to select new labs every year.
One of this year’s selectees Professor Sun Chang Kim will be teamed up with Professor Byung-Kwan Cho from the same department and Professor Jung Kyoon Choi from the Department of Bio and Brain Engineering to collaborate in the fields of synthetic biology, systems biology, and genetic engineering. This group mainly aims at designing and synthesizing optimal genomes that can efficiently manufacture protein drug and biomedical active materials. They will also strive to secure large amounts of high-functioning natural active substances, new adhesive antibacterial peptides, and eco-friendly ecological restoration materials. It is expected that collaboration between these three multigenerational professors will help innovate their bio-convergence technology and further strengthen their international competitiveness in the global bio-market.
Another world-renowned scholar Professor Yong-Hee Lee of photonic crystal laser study will be joined by Professor Minkyo Seo from the same department and Professor Hansuek Lee from the Graduate School of Nanoscience and Technology. They will explore the extreme limits of light-material interaction based on optical micro/nano resonators, with the goal of developing future nonlinear optoelectronic and quantum optical devices. The knowledge and technology newly gained from the research are expected to provide an important platform for a diverse range of fields from quantum communications to biophysics.
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2019.09.06 View 11587 -
Algorithm Identifies Optimal Pairs for Composing Metal-Organic Frameworks
The integration of metal-organic frameworks (MOFs) and other metal nanoparticles has increasingly led to the creation of new multifunctional materials. Many researchers have integrated MOFs with other classes of materials to produce new structures with synergetic properties.
Despite there being over 70,000 collections of synthesized MOFs that can be used as building blocks, the precise nature of the interaction and the bonding at the interface between the two materials still remains unknown. The question is how to sort out the right matching pairs out of 70,000 MOFs.
An algorithmic study published in Nature Communications by a KAIST research team presents a clue for finding the perfect pairs. The team, led by Professor Ji-Han Kim from the Department of Chemical and Biomolecular Engineering, developed a joint computational and experimental approach to rationally design MOF@MOFs, a composite of MOFs where an MOF is grown on a different MOF.
Professor Kim’s team, in collaboration with UNIST, noted that the metal node of one MOF can coordinately bond with the linker of a different MOF and the precisely matched interface configurations at atomic and molecular levels can enhance the likelihood of synthesizing MOF@MOFs.
They screened thousands of MOFs and identified optimal MOF pairs that can seamlessly connect to one another by taking advantage of the fact that the metal node of one MOF can form coordination bonds with the linkers of the second MOF. Six pairs predicted from the computational algorithm successfully grew into single crystals.
This computational workflow can readily extend into other classes of materials and can lead to the rapid exploration of the composite MOFs arena for accelerated materials development. Even more, the workflow can enhance the likelihood of synthesizing MOF@MOFs in the form of large single crystals, and thereby demonstrated the utility of rationally designing the MOF@MOFs.
This study is the first algorithm for predicting the synthesis of composite MOFs, to the best of their knowledge. Professor Kim said, “The number of predicted pairs can increase even more with the more general 2D lattice matching, and it is worth investigating in the future.”
This study was supported by Samsung Research Funding & Incubation Center of Samsung Electronics.
(Figure: An example of a rationally synthesized MOF@MOFs (cubic HKUST-1@MOF-5 ))
2019.08.30 View 17624