KAIST: Dementia-Causing Substance Turns On a Therapeutic “Switch”
A substance that worsens dementia has become a “switch” that initiates treatment. KAIST researchers have developed a new therapeutic approach that uses hydrogen peroxide (H₂O₂), a reactive oxygen species that damages cells and increases in the brains of patients with Alzheimer’s disease, to activate a drug selectively in diseased brain tissue. The team also confirmed improvements in cognitive function through animal experiments, presenting a new possibility for next-generation dementia treatment.
KAIST announced on the 2nd that a research team led by Professor Mi Hee Lim of the Department of Chemistry, in collaboration with Professor Mingeun Kim of Chonnam National University, Dr. Chul-Ho Lee and Dr. Kyoung-Shim Kim of the Korea Research Institute of Bioscience and Biotechnology, and Dr. Young-Ho Lee of the Korea Basic Science Institute, has developed a prodrug that is activated selectively in the diseased brain in Alzheimer’s disease and confirmed its therapeutic effects through animal experiments.
A prodrug is a drug that initially has minimal therapeutic effect but is converted into an active therapeutic agent only under specific conditions inside the body. In this study, the prodrug was designed to be activated only when it encounters hydrogen peroxide, which increases in the brains of patients with Alzheimer’s disease, allowing it to function as a “smart therapeutic agent” that selectively acts in diseased brain tissue.
In the brains of Alzheimer’s disease patients, hydrogen peroxide, which damages cells, is elevated above normal levels. Until now, it has generally been regarded only as a harmful substance that should be removed. However, the research team devised a method to use it instead as a signal that activates a drug.
The prodrugs developed by the research team, BE-1 and BE-2, are designed to remain minimally reactive in a healthy brain. However, when they encounter hydrogen peroxide in a brain affected by dementia, they are converted into active therapeutic compounds, AP-1 and AP-2. Through this process, they reduce reactive oxygen species, including hydrogen peroxide, while also preventing amyloid beta (Aβ) peptides — peptides known as a major cause of dementia that accumulate in the brain and damage nerve cells — from aggregating into highly toxic clumps.
Using advanced analytical techniques, the research team confirmed that the activated drug alters the morphology of amyloid beta aggregates and suppresses their growth into large aggregates.
These effects were also confirmed in Alzheimer’s disease mouse models. The drug crossed the blood-brain barrier (BBB), a protective barrier that controls whether substances in the blood can enter the brain, and was converted into the therapeutic compound inside the diseased brain. In mice that received long-term drug administration, oxidative stress in the hippocampus, which is responsible for memory, was reduced, and amyloid beta accumulation in the brain also decreased. In behavioral experiments assessing the ability to recognize new objects and navigate mazes, cognitive function was also found to improve.
This study is significant in that the drug was designed to operate only where needed by using the environment of the diseased brain itself. This approach presents a new strategy for dementia treatment that can enhance therapeutic efficacy while reducing side effects, and it is expected to be applicable to the treatment of other neurodegenerative diseases, such as Parkinson’s disease.
Professor Mi Hee Lim of KAIST’s Department of Chemistry said, “This study is meaningful in that hydrogen peroxide, which had previously been regarded only as something to be eliminated, was used as a signal to activate a drug. We expect this strategy, which activates drugs in diseased tissue, to become a new platform for treating complex diseases such as Alzheimer’s disease more safely and effectively.”
This study was co-first-authored by Jimin Lee and Eunseo Hong, Ph.D. candidates in KAIST’s Department of Chemistry, and was published online on May 31, 2026, in the international journal Small (Impact Factor: 12.1, top 10% in the field of chemistry).
※ Paper title: A Prodrug Approach for Activity-Based Chemical Modulation toward Multiple Pathological Targets in Alzheimer’s Disease
DOI: 10.1002/smll.74013
This research was supported by the National Research Foundation of Korea’s Leader Researcher Program, Global Leading Research Center Program, Sejong Science Fellowship, Graduate Student Research Encouragement Program, and institutional programs of KRIBB and KBSI.
KAIST Develops Hydrogel Material with Improved Skin Adhesion and Controllable Degradation Rate
<(From Left) Researcher Han-Yeol Yang, Professor Haeshin Lee>
Could wound healing dressings adhere better, and drug delivery patches become more sophisticated? A KAIST research team has developed a technology that leverages natural ingredients derived from plants to increase the strength of seaweed-based hydrogel (a gel material that contains a large amount of water while maintaining its shape) by more than fivefold, while also controlling its adhesiveness and degradation rate.
KAIST announced on June 9th that a research team led by Professor Haeshin Lee from the Department of Chemistry has developed a new material design strategy that utilizes tannic acid—a type of polyphenol, which is a natural antioxidant abundant in tea and fruits—to enhance the mechanical strength and adhesiveness of seaweed-derived hydrogel and to control its degradation rate.
Hydrogel is a high-moisture gel material used in contact lenses, acne patches, mask packs, and wound healing dressings. Because it can adhere closely to the skin while holding drugs or active ingredients, it is being utilized in various bio and healthcare fields, such as drug delivery systems (materials that effectively deliver drugs to desired sites), wound dressings (medical dressings that protect wounds and aid healing), tissue engineering scaffolds (structures that help regenerate artificial tissue), and cosmetic materials.
Among various hydrogel materials, the research team focused on 'κ-Carrageenan'. κ-Carrageenan is a natural polymer extracted from red seaweed (rhodophytes) such as agar-agar, and it is a familiar food ingredient used to increase the viscosity and maintain the shape of jellies and sauces. However, there were limitations to improving the performance of hydrogels made with κ-Carrageenan. The κ-Carrageenan molecule contains many structures called sulfate groups, which create intermolecular repulsion—much like magnets of the same pole pushing each other away—and prevent the formation of a dense structure. For this reason, it was difficult to increase the strength and adhesiveness of the hydrogel or to adjust the degradation rate to a desired level.
To solve this problem, the research team focused on finding a natural substance that could effectively interact with the sulfate groups. As a result, they determined that tannic acid, a natural polyphenol abundant in tea and fruits, could be a promising candidate.
Polyphenols are natural ingredients produced by plants to protect themselves from external environments such as ultraviolet rays or pests, and they have the characteristic of being able to bind with multiple substances simultaneously. In particular, tannic acid has multiple binding sites (galloyl groups), so it was expected to interact strongly with the sulfate groups of κ-Carrageenan and connect the molecules together. The research team believed that this characteristic could be utilized to reinforce the hydrogel structure.
As a result of the study, it was confirmed that the sulfate group, which was previously considered a factor hindering hydrogel formation, actually acts as a core binding site with tannic acid. In other words, the structure that was previously considered a "weakness" played a role in making the hydrogel even firmer upon meeting tannic acid.
< Research Image Related to Polyphenol Interactions >
In fact, the storage modulus (an index representing the firmness and elasticity of a gel) of the κ-Carrageenan hydrogel with added tannic acid was approximately 1,632 Pa, showing an improvement of more than fivefold compared to the pure κ-Carrageenan hydrogel (approximately 294 Pa). This means that the hydrogel can maintain its shape more stably even under external pressure or deformation, demonstrating that it can increase the durability and usability of wound healing dressings or drug delivery patches.
In addition, the research team confirmed that tannic acid stably reinforces the internal network structure (gel network) of the already formed hydrogel, regardless of the point in time when the tannic acid is added. This implies that tannic acid connects molecules at multiple points, allowing the internal structure of the hydrogel to remain consistently firm.
Notably, the research team succeeded in implementing rapid degradability and strong adhesiveness simultaneously. In experiments simulating the human stomach and intestinal environments, the hydrogel containing tannic acid degraded relatively quickly while adhering strongly to the skin and rough surfaces. This means that wound healing dressings will not easily fall off during use but can naturally degrade after completing their role, and drug delivery patches can be utilized to stably deliver drugs for a desired period.
This study is meaningful in that it presented a design principle capable of simultaneously controlling the strength, adhesiveness, and degradation rate of hydrogel using only food-grade natural ingredients without complex chemical synthesis processes. The research team expects this technology to be utilized in various bio and healthcare fields, such as capsules and coating materials for food and functional foods, skin-adhering cosmetics and skincare products, wound dressings, drug delivery patches, and tissue engineering scaffolds.
<Research Image (AI-Generated)>
Professor Haeshin Lee said, "This study is an example showing that the mechanical strength, adhesiveness, and degradation behavior of hydrogel can be designed together using only naturally derived materials," adding, "It can be expanded into a safer and simpler natural polymer gel platform in the fields of food, cosmetics, and biomaterials."
This study, in which PhD student Han-Yeol Yang participated as the first author, was published on April 21st in 'Biomimetics', an international academic journal in the field of biomimetics. ※ Paper Title: Adhesive κ-Carrageenan Hydrogels by Polyphenol Intervention, DOI: 10.3390/biomimetics11040290
Meanwhile, this research was conducted with research funding support from Polyphenol Factory Inc., a faculty-led startup enterprise of KAIST.
Professor Jihyeon Yeom Selected as Early Career Advisory Board Member for Top Chemistry and Materials Journal
< Professor Jihyeon Yeom >
KAIST announced on the 13th that Professor Jihyeon Yeom from the Department of Materials Science and Engineering has been selected as a member of the Early Career Advisory Board (ECAB) for Chemical Reviews, widely considered the world's most prestigious academic journal in the field of chemistry.
Published by the American Chemical Society (ACS), Chemical Reviews is a flagship review journal that comprehensively organizes and surveys the most influential research achievements across all areas of chemistry and materials science. It is evaluated as a top-tier international journal in the field.
The journal boasts an Impact Factor (IF) of 56, ranking it among the highest of all scientific journals worldwide. Its authority is particularly significant because it is a review journal that analyzes global research trends to suggest future academic directions, rather than simply publishing individual experimental data.
The ECAB, which began its term in January 2026, consists of 10 researchers selected from among rising global science leaders. Candidates are evaluated based on academic originality, research impact, and contributions to the scientific community. Members provide advisory roles for the journal's academic direction and strategic planning, contributing to the discovery of next-generation research trends and the expansion of global research networks.
This selection highlights that Professor Yeom’s research achievements are receiving high international acclaim.
Professor Yeom is conducting research on applying "chirality"—a property where objects, like DNA or proteins, are mirror images of each other but cannot be perfectly superimposed—to nanomaterials. Her core work involves precisely controlling atomic arrangements to realize artificial materials that can interact naturally with biological signals.
In particular, she is gaining attention for developing next-generation smart healthcare technology that combines light-responsive chiral materials with Artificial Intelligence (AI) to detect and analyze minute changes in the human body in real time. Professor Yeom explained that these chiral characteristics offer new possibilities for expanding information transmission and processing capabilities beyond simple structural properties.
Building on this foundation, she plans to expand her research into various fields, including precision medical diagnostic technology, next-generation optoelectronic devices utilizing circularly polarized light, and AI-based platforms.
Professor Yeom has established herself as a global leader in chiral materials research, recently publishing results in world-renowned journals such as Nature Communications, Advanced Materials, ACS Nano, and Accounts of Chemical Research.
"Chirality is not just a structural characteristic, but a new degree of freedom that expands the functional and information-processing capabilities of matter," said Professor Yeom. "I plan to expand my research into chiral-based electronic and optical devices, bio-diagnostic technologies, and AI-based spectroscopic platforms in the future."
This ECAB selection once again demonstrates the research competitiveness and international standing of the KAIST Department of Materials Science and Engineering. It is expected to further strengthen KAIST's role as a global research hub in the field of next-generation materials research.
Reborn as an Artificial Enzyme to Protect the Environment and Health
<(From left) Dr. Neetu Singh, Ph.D candidate Haneul Im, Dr. Seongyeon Kwon (IBS) (Back) Professor YunJung Baek>
Vitamin B2 (riboflavin), which we consume, acts as an important coenzyme that helps food convert into energy within the body. Korean researchers have successfully created a new artificial enzyme for the first time in the world by combining this riboflavin (flavin) with metal, adding the metal's reaction-controlling ability to riboflavin's electron-transfer function. This technology is expected to operate more precisely and stably than natural enzymes, demonstrating potential for use in various fields such as energy production, environmental purification, and new drug development.
The research team led by Professor Yunjung Baek of KAIST Department of Chemistry, in collaboration with Dr. Seongyeon Kwon of the Institute for Basic Science, announced on the 11th of November that they have succeeded in synthesizing a new molecular system that allows flavin to bind with metal ions.
Until now, scientists have long been unable to realize "flavin combined with metal" because flavin has a structural limitation—a complex ring structure entangled with nitrogen and oxygen—which makes it difficult for a metal to selectively bind.
To overcome this limitation, the research team designed a binding site for the metal within the flavin at the molecular level and applied a metallochemical approach that precisely arranges the ligand structure that traps the metal.
Through this, they successfully and stably synthesized the flavin-metal complex by delicately controlling the electronic and spatial interactions around the metal.
This achievement is the first case that integrates flavin's inherent properties and metal's reactivity into a single system, opening up the possibility for the development of 'metal-based artificial enzymes' that finely tune chemical reactions.
Professor Yunjung Baek stated, "We have moved beyond the limitations of naturally occurring flavin and expanded a biomolecule into a new component of metallochemistry. This research suggests a new direction for the design of next-generation catalysts and energy conversion materials based on biomolecules."
This achievement, in which Dr. Neetu Singh and Ph.D candidate Haneul Im of KAIST Department of Chemistry participated as co-first authors, was published in the international journal Inorganic Chemistry, issued by the American Chemical Society (ACS), on November 5th. It was recognized for its creativity and completeness and was selected as the cover article. Furthermore, it was chosen as an ACS Editors’ Choice—a representative paper selected once a day from all 90+ journals published by ACS—acknowledging the importance of the research.
Article Title: Tautomerizable Flavin Ligands for Constructing Primary and Secondary Coordination Spheres, DOI: 10.1021/acs.inorgchem.5c03941
Author Information: Total 5 authors including Neetu Singh (KAIST, Co-first Author), Haneul Im (KAIST, Co-first Author), Seongyeon Kwon (IBS, Co-second Author), Dongwook Kim (IBS, Co-third Author), and Yunjung Baek (KAIST, Corresponding Author).
<Cover Article Selection Photo for Inorganic Chemistry, an International Academic Journal Published by the American Chemical Society>
This research was supported by the 'Excellent New Researcher' project of the Basic Research Program for Individuals funded by the Ministry of Science and ICT, and the 'Materials and Components Development Program' supported by the Ministry of Trade, Industry and Energy.
KAIST Takes the Lead in Developing Core Technologies for Generative AI National R&D Project
KAIST announced on the 15th of August that Professor Sanghoo Park of the Department of Nuclear and Quantum Engineering has won two consecutive awards for early-career researchers at two of the world's most prestigious plasma academic conferences.
Professor Park was selected as a recipient of the Early Career Award (ECA) at the Gaseous Electronics Conference (GEC), hosted by the American Physical Society, on August 4. He was also honored with the Young Investigator Award, presented by the International Plasma Chemistry Society (IPCS), on June 19.
The American Physical Society's GEC Early Career Award is given to only one person worldwide every two years, based on a comprehensive evaluation of research excellence, academic influence, and contributions to the field of plasma. The award will be presented at GEC 2025, which will be held at COEX in Seoul from October 13 to 17.
Established in 1948, the GEC is a leading academic conference in the plasma field with a 77-year history of showcasing key research achievements in all areas of plasma, including physics, chemistry, diagnostics, and application technologies. Recently, advanced application research such as eco-friendly chemical processes, next-generation semiconductors, and atomic layer and ultra-low-temperature etching technology for HBM processes have been gaining attention.
To commemorate the award, Professor Park will give an invited lecture at GEC 2025 on the topic of "Deep-Learning-Based Spectroscopic Data Analysis for Advancing Plasma Spectroscopy." In his lecture, he will use case studies to demonstrate a method that allows even non-specialists to easily and quickly perform spectroscopic data analysis—which is essential for spectroscopy, a key analytical method in modern science including plasma diagnostics—by using deep learning technology.
Professor Park also won the Young Investigator Award from the IPCS at the 26th International Symposium on Plasma Chemistry (ISPC 26), which was held in Minneapolis, USA, from June 15 to 20.
First held in 1973, the ISPC (International Symposium on Plasma Chemistry) is a representative international conference in the field of plasma chemistry, held biennially. It covers a wide range of topics, from basic plasma chemical reaction principles to applications in semiconductor processes, green energy, environmental science, and biotechnology. Researchers from industry, academia, and research institutions worldwide share their latest findings at each event. The Young Investigator Award is given to a scientist who has obtained their doctorate within the last 10 years and has demonstrated outstanding achievements in the field.
Professor Park was recognized for his leading research achievements in using plasma-liquid interactions and real-time optical diagnostic technology to environmentally fix nitrogen from the air and precisely control the quantity and types of reactive chemical species that are beneficial to the human body and the environment.
Professor Sanghoo Park stated, "It is very meaningful to receive the Young Investigator Award representing Korea at the GEC event, which is being held in Korea for the first time in its history." He added, "I am happy that my consistent interest in and achievements in fundamental plasma science have been recognized, and it is even more significant that the efforts of the KAIST research team have been acknowledged by the world's top conferences."
KAIST Develops AI That Automatically Designs Optimal Drug Candidates for Cancer-Targeting Mutations
< (From left) Ph.D candidate Wonho Zhung, Ph.D cadidate Joongwon Lee , Prof. Woo Young Kim , Ph.D candidate Jisu Seo >
Traditional drug development methods involve identifying a target protin (e.g., a cancer cell receptor) that causes disease, and then searching through countless molecular candidates (potential drugs) that could bind to that protein and block its function. This process is costly, time-consuming, and has a low success rate. KAIST researchers have developed an AI model that, using only information about the target protein, can design optimal drug candidates without any prior molecular data—opening up new possibilities for drug discovery.
KAIST (President Kwang Hyung Lee) announced on the 10th that a research team led by Professor Woo Youn Kim in the Department of Chemistry has developed an AI model named BInD (Bond and Interaction-generating Diffusion model), which can design and optimize drug candidate molecules tailored to a protein’s structure alone—without needing prior information about binding molecules. The model also predicts the binding mechanism (non-covalent interactions) between the drug and the target protein.
The core innovation of this technology lies in its “simultaneous design” approach. Previous AI models either focused on generating molecules or separately evaluating whether the generated molecule could bind to the target protein. In contrast, this new model considers the binding mechanism between the molecule and the protein during the generation process, enabling comprehensive design in one step. Since it pre-accounts for critical factors in protein-ligand binding, it has a much higher likelihood of generating effective and stable molecules. The generation process visually demonstrates how types and positions of atoms, covalent bonds, and interactions are created simultaneously to fit the protein’s binding site.
<Figure 1. Schematic of the diffusion model developed by the research team, which generates molecular structures and non-covalent interactions based on protein structures. Starting from a noise distribution, the model gradually removes noise (via reverse diffusion) to restore the atom positions, types, covalent bond types, and interaction types, thereby generating molecules. Interacting patterns are extracted from prior knowledge of known binding molecules or proteins, and through an inpainting technique, these patterns are kept fixed during the reverse diffusion process to guide the molecular generation.>
Moreover, this model is designed to meet multiple essential drug design criteria simultaneously—such as target binding affinity, drug-like properties, and structural stability. Traditional models often optimized for only one or two goals at the expense of others, but this new model balances various objectives, significantly enhancing its practical applicability.
The research team explained that the AI operates based on a “diffusion model”—a generative approach where a structure becomes increasingly refined from a random state. This is the same type of model used in AlphaFold 3, the 2024 Nobel Chemistry Prize-winning tool for protein-ligand structure generation, which has already demonstrated high efficiency.
Unlike AlphaFold 3, which provides spatial coordinates for atom positions, this study introduced a knowledge-based guide grounded in actual chemical laws—such as bond lengths and protein-ligand distances—enabling more chemically realistic structure generation.
<Figure 2. (Left) Target protein and the original bound molecule; (Right) Examples of molecules designed using the model developed in this study. The values for protein binding affinity (Vina), drug-likeness (QED), and synthetic accessibility (SA) are shown at the bottom.>
Additionally, the team applied an optimization strategy where outstanding binding patterns from prior results are reused. This allowed the model to generate even better drug candidates without additional training. Notably, the AI successfully produced molecules that selectively bind to the mutated residues of EGFR, a cancer-related target protein.
This study is also meaningful because it advances beyond the team’s previous research, which required prior input about the molecular conditions for the interaction pattern of protein binding.
Professor Woo Youn Kim commented that “the newly developed AI can learn and understand the key features required for strong binding to a target protein, and design optimal drug candidate molecules—even without any prior input. This could significantly shift the paradigm of drug development.” He added, “Since this technology generates molecular structures based on principles of chemical interactions, it is expected to enable faster and more reliable drug development.”
Joongwon Lee and Wonho Zhung, PhD students in the Department of Chemistry, participated as co-first authors of this study. The research results were published in the international journal Advanced Science (IF = 14.1) on July 11.
● Paper Title: BInD: Bond and Interaction-Generating Diffusion Model for Multi-Objective Structure-Based Drug Design
● DOI: 10.1002/advs.202502702
This research was supported by the National Research Foundation of Korea and the Ministry of Health and Welfare.
Anti-Neuroinflammatory Natural Products from Isopod-Related Fungus Now Accessible via Chemical Synthesis
<(From left) Professor Sunkyu Han, Ph.D candidate Yoojin Lee, Ph.D candidate Taewan Kim>
"Herpotrichone" is a natural substance that has been evaluated highly for its excellent ability to suppress inflammation in the brain and protect nerve cells, displaying significant potential to be developed as a therapeutic agent for neurodegenerative brain diseases such as Alzheimer's disease and Parkinson's disease. This substance could only be obtained in minute quantities from fungi that are symbiotic with isopods. However, KAIST researchers have succeeded in chemically synthesizing this rare natural product, thereby presenting the possibility for the development of next-generation drugs for neurodegenerative diseases.
*Chemical Synthesis: A process of creating desired substances using chemical reactions.
KAIST (President Kwang Hyung Lee) announced on the 31st of July that a research team led by Professor Sunkyu Han of the Department of Chemistry successfully synthesized the natural anti-neuroinflammatory substances 'herpotrichones A, B, and C' for the first time.
Herpotrichone natural products are substances obtainable only in minute quantities from 'Herpotrichia sp. SF09', a symbiotic pill bug fungus, and possess a unique 6/6/6/6/3 pentacyclic framework consisting of five fused rings (four six-membered and one three-membered ring).
Interestingly, this substance exhibits excellent anti-neuroinflammatory effects that suppress brain inflammatory reactions. Recently, its mechanism of action to protect nerve cells by inhibiting ferroptosis (iron-mediated cell death) was also reported, raising expectations for its potential as a therapeutic drug for brain diseases.
Professor Han's research team devised a biosynthetically inspired strategy to chemically synthesize herpotrichoneS. The key to success was a named chemical reaction "Diels-Alder (DA) reaction". This reaction forms a six-membered ring by creating new bonds between carbon-based partners, much like two puzzle pieces interlocking to form a single ring.
<Figure 2. Key Synthetic Strategy for Hypotricon A, B, and C Based on Hydrogen Bonding>
Furthermore, the research team focused on a weak attractive phenomenon between molecules called "hydrogen bonding". By delicately designing and controlling this hydrogen bond, they were able to precisely induce the reaction to occur chemo-, regio- and stereoselectively, thereby synthesizing herpotrichone. Notably, without the pivotal hydrogen bond, only a small amount of the target natural product was formed or only undesirable byproducts were generated.
The configuration of the C2’ hydroxyl moiety was essential in directing the desired transition states leading to the target natural products.
Thanks to this induced hydrogen bonding, the reacting molecules approached the correct positions and went through an ideal transition state, allowing for the synthesis of herpotrichone C. This reaction principle was also successfully applied to herpotrichone A and B, enabling the successful synthesis of these natural products.
During the key Diels-Alder reaction conducted in the laboratory, new molecular structures not yet discovered in nature were also formed. Some of these have a high probability of being novel natural products with excellent pharmacological activity, thus doubling the significance of this research for anticipating natural products through synthesis.
Indeed, while Professor Han's research team conducted synthetic studies on herpotrichone A and B based on a 2019 paper by Chinese researchers who discovered and elucidated their structures, the research team observed the formation of undesired byproducts.
Interestingly, in 2024, the same Chinese research team that discovered herpotrichones A and bn reported the discovery of a new natural product called herpotrichone C, which turned out to be the same substance as the major byproduct previously obtained by Professor Han's team en route to herpotrichones A and B.
Professor Han stated, "This is the first total synthesis of a rare natural product with pharmacological activity related to neurodegenerative diseases and systematically presents the principle of biomimetic synthesis of complex natural products." He added, "It is expected to contribute to the development of novel natural product-based anti-neuroinflammatory therapeutics and biosynthesis research of this group of natural products."
This research outcome, with Yoojin Lee, a master's and Ph.D. integrated course student in the Department of Chemistry, as the first author, was published on July 16th in the Journal of the American Chemical Society (JACS), one of the most prestigious academic journals in the field of chemistry.
This research was supported by the National Research Foundation of Korea (NRF) Mid-career Researcher Support Program, the KAIST UP Project, the KAIST Grand Challenge 30 Project, and the KAIST Trans-Generational Collaborative Research Laboratory Project.
KAIST Designs a New Atomic Catalyst for Air Pollution Reduction
<(From Left)Professor Jong Hun Kim from Inha University, Dr. Gyuho Han and Professor Jeong Young Park from KAIST>
Platinum diselenide (PtSe2) is a two-dimensional multilayer material in which each layer is composed of platinum (Pt) and selenium (Se). It is known that its excellent crystallinity and precise control of interlayer interactions allow modulation of various physical and chemical properties. Due to these characteristics, it has been actively researched in multiple fields, including semiconductors, photodetectors, and electrochemical devices. Now, a research team has proposed a new design concept in which atomically dispersed platinum on the surface of platinum diselenide can function as a catalyst for gas reactions. Through this, they have proven its potential as a next-generation gas-phase catalyst technology for high-efficiency carbon dioxide conversion and carbon monoxide reduction.
KAIST (President Kwang Hyung Lee) announced on July 22 that a joint research team led by Endowed Chair Professor Jeong Young Park from the Department of Chemistry, along with Professor Hyun You Kim's team from Chungnam National University and Professor Yeonwoong (Eric) Jung's team from the University of Central Florida (UCF), has achieved excellent carbon monoxide oxidation performance by utilizing platinum atoms exposed on the surface of platinum diselenide, a type of two-dimensional transition metal dichalcogenide (TMD).
To maximize catalytic performance, the research team designed the catalyst by dispersing platinum atoms uniformly across the surface, departing from the conventional use of bulk platinum. This strategy allows more efficient catalytic reactions using a smaller amount of platinum. It also enhances electronic interactions between platinum and selenium by tuning the surface electronic structure. As a result, the platinum diselenide film with a thickness of a few nanometers showed superior carbon monoxide oxidation performance across the entire temperature range compared to a conventional platinum thin film under identical conditions.
In particular, carbon monoxide and oxygen were evenly adsorbed on the surface in similar proportions, increasing the likelihood that they would encounter each other and react, which significantly enhanced the catalytic activity. This improvement is primarily attributed to the increased exposure of surface platinum atoms resulting from selenium vacancies (Se-vacancies), which provide adsorption sites for gas molecules.
The research team confirmed in real-time that these platinum atoms served as active adsorption sites during the actual reaction process, using ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) conducted at the Pohang Accelerator Laboratory. This high-precision analysis was enabled by advanced instrumentation capable of observing surfaces at the nanometer scale under ambient pressure conditions. At the same time, computer simulations based on density functional theory (DFT) demonstrated that platinum diselenide exhibits distinct electronic behavior compared to conventional platinum.
*Density Functional Theory (DFT): A quantum mechanical method for calculating the total energy of a system based on electron density.
Professor Jeong Young Park stated, “This research presents a new design strategy that utilizes platinum diselenide, a two-dimensional layered material distinct from conventional platinum catalysts, to enable catalytic functions optimized for gas-phase reactions.” He added, “The electronic interaction between platinum and selenium created favorable conditions for the balanced adsorption of carbon monoxide and oxygen. By designing the catalyst to exhibit higher reactivity across the entire temperature range than conventional platinum, we improved its practical applicability. This enabled a high-efficiency catalytic reaction mechanism through atomic-level design, a two-dimensional material platform, and precise adsorption control.”
This research was co-authored by Dr. Gyuho Han from the Department of Chemistry at KAIST, Dr. Hyuk Choi from the Department of Materials Science and Engineering at Chungnam National University, and Professor Jong Hun Kim from Inha University. The study was published on July 3 in the world-renowned journal Nature Communications.
Paper Title: Enhanced catalytic activity on atomically dispersed PtSe2 two-dimensional layers
DOI: 10.1038/s41467-025-61320-0
This research was supported by the Mid-Career Researcher Program of the Ministry of Science and ICT, the Core Research Institute Program of the Ministry of Education, the National Strategic Technology Materials Development Project, the U.S. National Science Foundation (NSF) CAREER Program, research funding from Inha University, and the Postdoctoral Researcher Program (P3) at UCF. Accelerator-based analysis was conducted in cooperation with the Pohang Accelerator Laboratory and the Korea Basic Science Institute (KBSI).
KAIST Captures Hot Holes: A Breakthrough in Light-to-Electricity Energy Conversion
When light interacts with metallic nanostructures, it instantaneously generates plasmonic hot carriers, which serve as key intermediates for converting optical energy into high-value energy sources such as electricity and chemical energy. Among these, hot holes play a crucial role in enhancing photoelectrochemical reactions. However, they thermally dissipate within picoseconds (trillionths of a second), making practical applications challenging. Now, a Korean research team has successfully developed a method for sustaining hot holes longer and amplifying their flow, accelerating the commercialization of next-generation, high-efficiency, light-to-energy conversion technologies.
KAIST (represented by President Kwang Hyung Lee) announced on the 12th of March that a research team led by Distinguished Professor Jeong Young Park from the Department of Chemistry, in collaboration with Professor Moonsang Lee from the Department of Materials Science and Engineering at Inha University, has successfully amplified the flow of hot holes and mapped local current distribution in real time, thereby elucidating the mechanism of photocurrent enhancement.
The team designed a nanodiode structure by placing a metallic nanomesh on a specialized semiconductor substrate (p-type gallium nitride) to facilitate hot hole extraction at the surface. As a result, in gallium nitride substrates aligned with the hot hole extraction direction, the flow of hot holes was amplified by approximately two times compared to substrates aligned in other directions.
To fabricate the Au nanomesh, a polystyrene nano-bead monolayer assembly was first placed on a gallium nitride (p-GaN) substrate, and then the polystyrene nano-beads were etched to form a nanomesh template (Figure 1A). Then, a 20 nm thick gold nano-film was deposited, and the etched polystyrene nano-beads were removed to realize the gold nano-mesh structure on the GaN substrate (Figure 1B). The fabricated Au nanomesh exhibited strong light absorption in the visible range due to the plasmonic resonance effect (Figure 1C). >
Furthermore, using a photoconductive atomic force microscopy (pc-AFM)-based photocurrent mapping system, the researchers analyzed the flow of hot holes in real time at the nanometer scale (one hundred-thousandth the thickness of a human hair). They observed that hot hole activation was strongest at "hot spots," where light was locally concentrated on the gold nanomesh. However, by modifying the growth direction of the gallium nitride substrate, hot hole activation extended beyond the hot spots to other areas as well.
Through this research, the team discovered an efficient method for converting light into electrical and chemical energy. This breakthrough is expected to significantly advance next-generation solar cells, photocatalysts, and hydrogen production technologies.
Professor Jeong Young Park stated, "For the first time, we have successfully controlled the flow of hot holes using a nanodiode technique. This innovation holds great potential for various optoelectronic devices and photocatalytic applications. For example, it could lead to groundbreaking advancements in solar energy conversion technologies, such as solar cells and hydrogen production. Additionally, the real-time analysis technology we developed can be applied to the development of ultra-miniaturized optoelectronic devices, including optical sensors and nanoscale semiconductor components."
The study was led by Hyunhwa Lee (PhD., KAIST Department of Chemistry) and Yujin Park (Postdoc Researcher, University of Texas at Austin Department of Chemical Engineering) as co-first authors and Professors Moonsang Lee (Inha University, Department of Materials Science and Engineering) and Jeong Young Park (KAIST, Department of Chemistry) serving as corresponding authors. The research findings were published online in Science Advances on March 7.
(Paper Title: “Reconfiguring hot-hole flux via polarity modulation of p-GaN in plasmonic Schottky architectures”, DOI: https://www.science.org/doi/10.1126/sciadv.adu0086)
This research was supported by the National Research Foundation of Korea (NRF).
“Cross-Generation Collaborative Labs” for Semiconductor, Chemistry, and Computer Science Opened
< Photo of Professor Hoi-Jun Yoo (center) of the School of Electrical Engineering at the signboard unveiling ceremony >
KAIST held a ceremony to mark the opening of three additional ‘Cross-Generation Collaborative Labs’ on the morning of January 7th, 2025.
The “Next-Generation AI Semiconductor System Lab” by Professor Hoi-Jun Yoo of the School of Electrical Engineering, the “Molecular Spectroscopy and Chemical Dynamics Lab” by Professor Sang Kyu Kim of the Department of Chemistry, and the “Advanced Data Computing Lab” by Professor Sue Bok Moon of the School of Computer Science are the three new labs given the honored titled of the “Cross-Generation Collaborative Lab”.
The Cross-Generation Collaborative Lab is KAIST’s unique system that was set up to facilitate the collaboration between retiring professors and junior professors to continue the achievements and know-how the elders have accumulated over their academic career. Since its introduction in 2018, nine labs have been named to be the Cross-Generation Labs, and this year’s new addition brings the total up to twelve.
The ‘Next-Generation AI Semiconductor System Lab’ led by Professor Hoi-Jun Yoo will be operated by Professor Joo-Young Kim of the same school.
Professor Hoi-Jun Yoo is a world-renowned scholar with outstanding research achievements in the field of on-device AI semiconductor design. Professor Joo-Young Kim is an up-and-coming researcher studying large language models and design of AI semiconductors for server computers, and is currently researching technologies to design PIM (Processing-in-Memory), a core technology in the field of AI semiconductors.
Their research goal is to systematically collaborate and transfer next-generation AI semiconductor design technology, including brain-mimicking AI algorithms such as deep neural networks and generative AI, to integrate core technologies, and to maximize the usability of R&D outputs, thereby further solidifying the position of Korean AI semiconductor companies in the global market.
Professor Hoi-Jun Yoo said, “I believe that, we will be able to present a development direction of for the next-generation AI semiconductors industries at home and abroad through collaborative research and play a key role in transferring and expanding global leadership.”
< Professor Sang Kyu Kim of the Department of Chemistry (middle), at the signboard unveiling ceremony for his laboratory >
The “Molecular Spectroscopy and Chemical Dynamics Laboratory”, where Professor Sang Kyu Kim of the Department of Chemistry is in charge, will be operated by Professor Tae Kyu Kim of the same department, and another professor in the field of spectroscopy and dynamics will join in the future.
Professor Sang Kyu Kim has secured technologies for developing unique experimental equipment based on ultrashort lasers and supersonic molecular beams, and is a world leader who has been creatively pioneering new fields of experimental physical chemistry.
The research goal is to describe chemical reactions and verify from a quantum mechanical perspective and introduce new theories and technologies to pursue a complete understanding of the principles of chemical reactions. In addition, the accompanying basic scientific knowledge will be applied to the design of new materials.
Professor Sang Kyu Kim said, “I am very happy to be able to pass on the research infrastructure to the next generation through this system, and I will continue to nurture it to grow into a world-class research lab through trans-generational collaborative research.”
< Photo of Professor Sue Bok Moon (center) at the signboard unveiling ceremony by the School of Computing >
Lastly, the “Advanced Data Computing Lab” led by Professor Sue Bok Moon is joined by Professor Mee Young Cha of the same school and Professor Wonjae Lee of the Graduate School of Culture Technology.
Professor Sue Bok Moon showed the infinite possibilities of large-scale data-based social network research through Cyworld, YouTube, and Twitter, and had a great influence on related fields beyond the field of computer science.
Professor Mee Young Cha is a data scientist who analyzes difficult social issues such as misinformation, poverty, and disaster detection using big data-based AI. She is the first Korean to be recognized for her achievements as the director of the Max Planck Institute in Germany, a world-class basic science research institute. Therefore, there is high expectation for synergy effects from overseas collaborative research and technology transfer and sharing among the participating professors of the collaborative research lab. Professor Wonjae Lee is researching dynamic interaction analysis between science and technology using structural topic models.
They plan to conduct research aimed at improving the analysis and understanding of negative influences occurring online, and in particular, developing a hateful precursor detection model using emotions and morality to preemptively block hateful expressions.
Professor Sue Bok Moon said, “Through this collaborative research lab, we will play a key role in conducting in-depth collaborative research on unexpected negative influences in the AI era so that we can have a high level of competitiveness worldwide.”
The ceremonies for the unveiling of the new Cross-Generation Collaborative Lab signboard were held in front of each lab from 10:00 AM on the 7th, in the attendance of President Kwang Hyung Lee, Senior Vice President for Research Sang Yup Lee, and other key officials of KAIST and the new staff members to join the laboratories.
KAIST Researchers Introduce New and Improved, Next-Generation Perovskite Solar Cell
- KAIST-Yonsei university researchers developed innovative dipole technology to maximize near-infrared photon harvesting efficiency
- Overcoming the shortcoming of existing perovskite solar cells that cannot utilize approximately 52% of total solar energy
- Development of next-generation solar cell technology with high efficiency and high stability that can absorb near-infrared light beyond the existing visible light range with a perovskite-dipole-organic semiconductor hybrid structure
< Photo. (From left) Professor Jung-Yong Lee, Ph.D. candidate Min-Ho Lee, and Master’s candidate Min Seok Kim of the School of Electrical Engineering >
Existing perovskite solar cells, which have the problem of not being able to utilize approximately 52% of total solar energy, have been developed by a Korean research team as an innovative technology that maximizes near-infrared light capture performance while greatly improving power conversion efficiency. This greatly increases the possibility of commercializing next-generation solar cells and is expected to contribute to important technological advancements in the global solar cell market.
The research team of Professor Jung-Yong Lee of the School of Electrical Engineering at KAIST (President Kwang-Hyung Lee) and Professor Woojae Kim of the Department of Chemistry at Yonsei University announced on October 31st that they have developed a high-efficiency and high-stability organic-inorganic hybrid solar cell production technology that maximizes near-infrared light capture beyond the existing visible light range.
The research team suggested and advanced a hybrid next-generation device structure with organic photo-semiconductors that complements perovskite materials limited to visible light absorption and expands the absorption range to near-infrared.
In addition, they revealed the electronic structure problem that mainly occurs in the structure and announced a high-performance solar cell device that dramatically solved this problem by introducing a dipole layer*.
*Dipole layer: A thin material layer that controls the energy level within the device to facilitate charge transport and forms an interface potential difference to improve device performance.
Existing lead-based perovskite solar cells have a problem in that their absorption spectrum is limited to the visible light region with a wavelength of 850 nanometers (nm) or less, which prevents them from utilizing approximately 52% of the total solar energy.
To solve this problem, the research team designed a hybrid device that combined an organic bulk heterojunction (BHJ) with perovskite and implemented a solar cell that can absorb up to the near-infrared region.
In particular, by introducing a sub-nanometer dipole interface layer, they succeeded in alleviating the energy barrier between the perovskite and the organic bulk heterojunction (BHJ), suppressing charge accumulation, maximizing the contribution to the near-infrared, and improving the current density (JSC) to 4.9 mA/cm².
The key achievement of this study is that the power conversion efficiency (PCE) of the hybrid device has been significantly increased from 20.4% to 24.0%. In particular, this study achieved a high internal quantum efficiency (IQE) compared to previous studies, reaching 78% in the near-infrared region.
< Figure. The illustration of the mechanism of improving the electronic structure and charge transfer capability through Perovskite/organic hybrid device structure and dipole interfacial layers (DILs). The proposed dipole interfacial layer forms a strong interfacial dipole, effectively reducing the energy barrier between the perovskite and organic bulk heterojunction (BHJ), and suppressing hole accumulation. This technology improves near-infrared photon harvesting and charge transfer, and as a result, the power conversion efficiency of the solar cell increases to 24.0%. In addition, it achieves excellent stability by maintaining performance for 1,200 hours even in an extremely humid environment. >
In addition, this device showed high stability, showing excellent results of maintaining more than 80% of the initial efficiency in the maximum output tracking for more than 800 hours even under extreme humidity conditions.
Professor Jung-Yong Lee said, “Through this study, we have effectively solved the charge accumulation and energy band mismatch problems faced by existing perovskite/organic hybrid solar cells, and we will be able to significantly improve the power conversion efficiency while maximizing the near-infrared light capture performance, which will be a new breakthrough that can solve the mechanical-chemical stability problems of existing perovskites and overcome the optical limitations.”
This study, in which KAIST School of Electrical Engineering Ph.D. candidate Min-Ho Lee and Master's candidate Min Seok Kim participated as co-first authors, was published in the September 30th online edition of the international academic journal Advanced Materials. (Paper title: Suppressing Hole Accumulation Through Sub-Nanometer Dipole Interfaces in Hybrid Perovskite/Organic Solar Cells for Boosting Near-Infrared Photon Harvesting).
This study was conducted with the support of the National Research Foundation of Korea.
Novel High-performance and Sustainable Paper Coating Material created by KAIST-Yonsei University Research Team to reduce microplastic pollution
What if there is a biodegradable packaging material with high performance without leaving microplastics?
Plastic pollution presents a global challenge that must be solved. In particular, packaging accounts for 30-50% of the total plastic consumption. While paper packaging is eco-friendly, it lacks crucial functionalities like moisture resistance and strength. Traditional coating materials exacerbate plastic pollution, prompting the need for sustainable alternatives.
Polyethylene (PE) and ethylene vinyl alcohol (EVOH) are typically used as coating materials to improve the low barrier properties of paper packaging, but these substances do not decompose and worsen microplastic pollution when disposed of in the natural environment. In response to this problem, packaging materials made from bio-based substances and biodegradable plastics have been developed, but in most cases, as the packaging performance improves, the biodegradability diminishes rapidly.
KAIST announced that a joint research team led by Professor Jaewook Myung of the Department of Civil and Environmental Engineering, Professor Hanseul Yang of the Department of Life Sciences, and Professor Jongcheol Seo of the Department of Packaging and Logistics <Figure 4. Back cover art of Green Chemistry journal of the latest volume, describing the boric acid cross-linked poly(vinyl alcohol) coated paper featuring marine biodegradability, biocompatibility, high barrier properties, and robustness developed through this study.>
at Yonsei University tackled the challenge of balancing packaging performance and sustainability. They successfully developed a sustainable, marine biodegradable, high-performance paper coating material.
* Biodegradable plastic: A plastic that can be decomposed by microorganisms in natural environments such as soil and ocean or artificial conditions such as industrial composting and anaerobic digestion by microorganisms.
*Microplastics: Tiny pieces of plastic less than 5 mm, produced during the decomposition of bulk plastic materials. Microplastics can persist in the sea for more than decades, causing severe marine pollution.
The team utilized boric acid-crosslinked poly(vinyl alcohol) (PVA), a biodegradable plastic, to coat the paper, thereby enhancing its biodegradability, barrier properties, and strength. The resulting coated paper exhibited superior performance compared to conventional plastics, with excellent barrier properties and physical strength, even in humid conditions.
<Figure 1. (a) Chemical structure of boric acid-crosslinked poly(vinyl alcohol) coating on paper, (b-c) Oxygen and water vapor barrier properties, (d-f) Tensile strength in dry and moist conditions. OTR: Oxygen transmission rate, WVTR: Water vapor transmission rate.>
The team also conducted an in-depth examination of biodegradation and biocompatibility to systematically evaluate the sustainability of the newly developed coated paper. Biodegradation was assessed by simulating the marine environment, known for its challenging biodegradability conditions. The team employed a respiratory system-based bioreactor to measure the degree of carbon mineralization into carbon dioxide. After 111 days of biodegradation, it was found that the coated papers achieved 59-82% biodegradation depending on the coating component. The phenomenon in which marine bacteria are decomposing the coating material was captured through a scanning electron microscope. In addition, in vitro biocompatibility was confirmed through human embryonic kidney and mouse embryonic fibroblast cells, as well as high in-vivo biocompatibility of the coated paper was verified through mouse experiments.
Through this study, the joint research team proposed a coating strategy that can improve packaging performance while upholding sustainability to address the drawbacks of paper packaging. The boric acid-crosslinked PVA-coated paper eliminates the need for artificial composting conditions or sewage treatment facilities. Being biodegradable in natural environments and characterized by low toxicity, this newly coated paper does not exacerbate environmental pollution when accidentally discarded. Thus, it presents a sustainable substitute for plastic packaging materials.
<Figure 2. (a) Normal paper and boric acid-crosslinked poly(vinyl alcohol) coated paper, (b) Biodegradation of the coated paper by marine bacteria, (c) Result of cytotoxicity test using human embryonic kidney and mouse embryonic fibroblast cells. (d) Vital organs after one-month exposure of the coated papers to mice.>
Professor Jaewook Myung at KAIST, who led the sustainability study of coated paper, said, "The development of a marine biodegradable high-performance paper coating is the result of combining the innovative technologies of three leading research teams in each field." He said, “We will continue to develop sustainable materials with excellent performance.” Meanwhile, Professor Jongchul Seo of Yonsei University, who led the research on the development of high-performance paper coating, mentioned, “Through this research, we have developed a sustainable paper packaging technology that can replace non-degradable plastic packaging, and we expect the research outcome will be applied in industry,”.
<Figure 3. End-of-life scenario of papers coated by BA-crosslinked PVA in the marine environment. The coated papers potentially be disintegrated by marine microorganisms and ocean waves and tides. The depolymerization of PVA coating and paper is then mediated by extracellular depolymerases such as oxidases and cellulases, after which the small subunits (oligomers and monomers) are assimilated by microbial cells. The carbon components in the coated papers are ultimately mineralized into CO2, posing no harm in the ocean.>
The work was published in Green Chemistry and Food Chemistry journals. This study was conducted with the support of the Korea Research Foundation and the Korea Institute for Agriculture, Food and Rural Affairs Technology Planning and Evaluation, etc.
*Title of paper published in Green Chemistry: Boric acid-crosslinked poly(vinyl alcohol): biodegradable, biocompatible, robust, and high-barrier paper coating
※ Selected as the article for the back cover of the journal .
- Authors: Shinhyeong Choe, Seulki You, Kitae Park, Youngju Kim, Jehee Park, Yongjun Cho, Jongchul Seo, Hanseul Yang, and Jaewook Myung)
- Date: April 17, 2024
- DOI: 10.1039/D4GC00618F
*Title of paper published in Food Chemistry: Effect of epichlorohydrin treatment on the coating process and performance of high-barrier paper packaging
- Authors: Kitae Park, Shinhyeong Choe, Kambiz Sadeghi, Pradeep Kumar Panda, Jaewook Myung, Dowan Kim, and Jongchul Seo
- Date: February 19, 2024
- DOI: 10.1016/j.foodchem.2024.138772
<Figure 4. Back cover art of Green Chemistry journal of the latest volume, describing the boric acid cross-linked poly(vinyl alcohol) coated paper featuring marine biodegradability, biocompatibility, high barrier properties, and robustness developed through this study.>