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Lead-free, Efficient Perovskite for Photovoltaic Cells
(Clockwise from left: Post-doc Researcher Lamjed Debbichi, Master’s Candidate Songju Lee, Professor Min Seok Jang and Professor Hyungjun Kim)
A KAIST research team has proposed a perovskite material, Cs2Au2I6 that serves as a potential active material for highly efficient lead-free thin-film photovoltaic devices. This material is expected to lay the foundation to overcome previously known limitations of perovskite including its stability and toxicity issues.
As strong candidates for next-generation high-efficiency photovoltaic cells, perovskite photovoltaic cells have a maximum photoconversion efficiency of 22%, comparable to high-performance crystalline silicon photovoltaic cells. In addition, perovskite-based cells can be fabricated at low temperatures, thereby bringing about dramatic cost reductions.
However, it has been noted that conventional organic-inorganic hybrid perovskite materials exhibit low stability, eventually degrading their performance and making them unfit for continued use. Moreover, their inclusion of lead has undermined their environmental friendliness.
In light of this, a joint team led by Professor Hyungjun Kim from the KAIST Department of Chemistry and Professor Min Seok Jang from the School of Electrical Engineering has analyzed a previously discovered perovskite material, Cs2Au2I6, consisting of only inorganic substances and investigated its suitability for application in thin-film photovoltaic devices. Theoretical investigations suggests that this new perovskite material is not only as efficient but also more stable and environment friendly compared to the conventional perovskite materials. For this analysis, the team developed multiscale multiphysics simulation frameworks. Atomic-scale first-principle quantum calculations were carried out to study the optical properties of the proposed material, and device-scale electromagnetic simulations were conducted to suggest that the material could indeed serve as a promising photovoltaic substance at the device level.
From this point onward, the research team plans to extend the study in two directions: an empirical study to apply the perovskite material in real-world photovoltaic cells and a theoretical analysis to find the optimal and highly stable material for photovoltaic cells. The team said, “Perovskite materials are highly efficient, but in order to completely replace the conventional solar cells, their stability and toxicity issues must first be resolved.” They added that this research is expected to accelerate related studies in pursuit of high-efficiency, environment-friendly perovskite materials.
This research, led by post-doc researcher Lamjed Debbichi and master’s candidate Songju Lee, was selected as the front cover article of Advanced Materials on March 22.
Figure 1. Cover of Advanced Materials
Figure 2. Schematic of full solar cell device structure
2018.06.08 View 9282 -
Platinum Catalyst Has Price Lowed and Durability Doubled
(Professor Cho in the Department of Materials Science and Engineering)
Professor EunAe Cho in the Department of Materials Science and Engineering reported a fuel cell catalyst that shows 12 times higher performance and twice the durability than previously used platinum catalyst.
Fuel cells, eco-friendly power generators, are said to be running air purifiers. A hydrogen vehicle powered by fuel cells can allegedly purify more than 98 percent of the particulate matter and ultrafine particles from the amount of air that 70 adults breathe.
Despite this peculiarity, the high price of platinum, which is used as an electrode catalyst, remains a big challenge to accelerating commercialization. In addition, recently developed ‘nano-structured platinum catalysts’ have not yet commercialized due to its meager oxygen reduction reaction and durability in fuel cell.
Addressing all those challenges, Professor Cho’s team reported a platinum catalyst costing 30 percent less but boasting 12 times higher performance.
The research team, to this end, combined the platinum with nickel, then applied various metallic elements for making the most efficient performance. Among others, they found that the addition of gallium can modulate the oxygen intermediate binding energy, leading to enhanced catalytic activity of the oxygen reduction reaction.
They made octahedron nanoparticle platinum-nickel alloy and could efficiently achieve 12-times high performance with the platinum catalyst by adding gallium to the surface of octahedron.
Existing fuel cell catalysts have issues in practical fuel cell applications. However, Professor Cho’s team experimentally proved the high performance of the catalyst even in the fuel cell, and is expected to be practically applied to the existing procedure.
First author JeongHoon Lim said their work demonstrates the gallium-added octahedral nanoparticles can be utilized as a highly active and durable oxygen reduction reaction catalyst in practical fuel cell applications. It will make it feasible for the mass production of the catalysts.
Professor Cho also said, “Our study realized the two main goals: an affordable price and increased performance of fuel cells. We hope this will make a contribution to the market competitiveness of fuel cell electric vehicles.”
This research was described in Nano Letters in April and was supported by the Korea Institute of Energy Technology Evaluation and Planning (KETEP), the National Research Foundation (NRF), and the Agency for Defense Development (ADD).
(Figure: HAADF STEM images with EDX analyses and line scanning profiles of (a) Ga-PtNi/C and (b) PtNi/C during the voltage-cycling tests. The composition changes of Ni, Pt, and Ga atoms in the nanoparticles were determined by EDX (inset in the EDX mapping results)).
2018.05.15 View 7677 -
KAIST-KU Sign MOU on 4th Industrial Technology Development
(President Shin(second from left) poses with Khalifa University President Tod Laursen after signing an MOU in the UAE on March 25. Far left is Chairman of the NST Kwangyun Wohn and far right is the UAE Minister of Educatiion Hussain Al Hammadi.)
KAIST President Sung-Chul Shin and Khalifa University Interim President Tod Laursen signed an MOU on the Fourth Industrial Technology Development on March 25 in the UAE.
They signed the MOU during the UAE-ROK Nuclear Friendship and KAIST Alumni Night at Khalifa University co-hosted by KAIST and the Korea Atomic Energy Research Institute (KAERI). The MOU will bring new opportunities to further expand bilateral cooperation in education and training in the relevant technologies called for the era of the Fourth Industrial Revolution.
More than 100 dignitaries including Chairman of National Research Council of Science and Technology (NST) in Korea Dr. Kwangyun Wohn, President of KAERI Jaejoo Ha, the UAE Minister of Education His Excellency Hussain Al Hammadi, Minister of State for Advanced Sciences Her Excellency Sarah bint Yousef Al Amiri, and His Excellency Federal Authority for Nuclear Regulation (FANR) Director General Christopher Viktorsson attended the event. In particular, a significant number of Emirati graduates of the KUSTAR-KAIST education program and many others who completed various KAIST training programs joined the event.
The Nuclear Friendship Night was celebrating the completion of the first nuclear power plant in Barakah exported by Korea. This is the first nuclear reactor in the Middle East, which is to start operation later this year. The event also coincided with Korean President Moon Jae-In’s state visit to the UAE.
KAIST and KAERI gathered distinguished leaders from the higher education and nuclear industries at the event in response to the UAE government’s top national agenda of fostering future talents and promoting the nuclear industry in order to ensure energy security.
KAIST and Khalifa University signed an initial agreement in education and research in 2009 when the governments of Korea and the UAE signed a contract to build four nuclear power plants in Barakah. Since then, the two universities have worked together closely in the areas of nuclear engineering, bio-medical engineering, robotics, mechanical engineering, chemical engineering, and materials science. With this signing on the new MOU, the partnership between the two institutions will mark the second phase of educating high-caliber human resources in science and technology of the two countries.
The KAIST Alumni Night also brought more opportunities to appreciate the achievements that the two countries have made through collaboration in education and research, mostly represented in the field of nuclear technology between KAIST and Khalifa University. During the event, KAIST graduates also shared their experiences from the education at KAIST, followed by the welcoming speeches from the UAE Minister of Education and the UAE Minister of State for Advanced Sciences.
KAIST President Shin, in his welcoming speech at the event, said, “I look forward to more students in the UAE having the opportunity to experience the world’s top-level education and global environment that KAIST offers. The collaboration with Khalifa University and the UAE is very important for building both countries’ future growth.”
KU President Laursen said, “This MOU on research cooperation focusing on technologies for the Fourth Industrial Revolution, nuclear engineering, and other technical areas will further consolidate our partnership with KAIST and support us in developing human capital suitable to take on future challenges in the science and technology sectors. We firmly believe the talent pool of experts created by this initiative will contribute to the overall economic growth of the UAE.”
2018.03.26 View 10216 -
Aqueous Storage Device Needs Only 20 Seconds to Go
(from left: PhD candidate Il Woo Ock and Professor Jeung Ku Kang)
A KAIST research team developed a new hybrid energy storage device that can be charged in less than half a minute. It employs aqueous electrolytes instead of flammable organic solvents, so it is both environmentally friendly and safe. It also facilitates a boosting charge with high energy density, which makes it suitable for portable electronic devices.
Professor Jeung Ku Kang and his team from the Graduate School of Energy, Environment, Water, and Sustainability developed this hybrid energy storage with high energy and power densities along over a long cycle life by assembling fibre-like polymer chain anodes and sub-nanoscale metal oxide cathodes on graphene.
Conventional aqueous electrolyte-based energy storage devices have a limitation for boosting charges and high energy density due to low driving voltage and a shortage of anode materials.
Energy storage device capacity is determined by the two electrodes, and the balance between cathode and anode leads to high stability. In general, two electrodes show differences in electrical properties and differ in ion storage mechanism processes, resulting in poor storage and stability from the imbalance.
The research team came up with new structures and materials to facilitate rapid speed in energy exchange on the surfaces of the electrodes and minimize the energy loss between the two electrodes.
The team made anodes with graphene-based polymer chain materials. The web-like structure of graphene leads to a high surface area, thereby allowing higher capacitance.
For cathode materials, the team used metal oxide in sub-nanoscale structures to elevate atom-by-ion redox reactions. This method realized higher energy density and faster energy exchange while minimizing energy loss.
The developed device can be charged within 20 to 30 seconds using a low-power charging system, such as a USB switching charger or a flexible photovoltaic cell. The developed aqueous hybrid energy device shows more than 100-fold higher power density compared to conventional aqueous batteries and can be rapidly recharged. Further, the device showed high stability with its capacity maintained at 100% at a high charge/discharge current.
Professor Kang said, “This eco-friendly technology can be easily manufactured and is highly applicable. In particular, its high capacity and high stability, compared to existing technologies, could contribute to the commercialization of aqueous capacitors. The device can be rapidly charged using a low-power charging system, and thus can be applied to portable electronic device.”
This research, led by a PhD candidate Il Woo Ock, was published in Advanced Energy Materials on January 15.
Figure 1. Switching wearable LED kit with two AHCs in series charged by a flexible photovoltaic cell
Figure 2. Schematic diagram for aqueous hybrid capacitors
Figure 3. TEM images of anode and cathode
2018.02.28 View 12768 -
Lifespan of Fuel Cells Maximized Using Small Amount of Metals
(Professor Jung (far right) and his team)
Fuel cells are key future energy technology that is emerging as eco-friendly and renewable energy sources. In particular, solid oxide fuel cells composed of ceramic materials gain increasing attention for their ability to directly convert various forms of fuel such as biomass, LNG, and LPG to electric energy.
KAIST researchers described a new technique to improve chemical stability of electrode materials which can extend the lifespan by employing a very little amount of metals.
The core factor that determines the performance of solid oxide fuel cells is the cathode at which the reduction reaction of oxygen occurs. Conventionally, oxides with perovskite structure (ABO3) are used in cathodes. However, despite the high performance of perovskite oxides at initial operation, the performance decreases with time, limiting their long-term use. In particular, the condition of high temperature oxidation state required for cathode operation leads to surface segregation phenomenon, in which second phases such as strontium oxide (SrOx) accumulate on the surface of oxides, resulting in decrease in electrode performance. The detailed mechanism of this phenomenon and a way to effectively inhibit it has not been suggested.
Using computational chemistry and experimental data, Professor WooChul Jung’s team at the Department of Materials Science and Engineering observed that local compressive states around the Sr atoms in a perovskite electrode lattice weakened the Sr-O bond strength, which in turn promote strontium segregation. The team identified local changes in strain distribution in perovskite oxide as the main cause of segregation on strontium surface. Based on these findings, the team doped different sizes of metals in oxides to control the extent of lattice strain in cathode material and effectively inhibited strontium segregation.
Professor Jung said, “This technology can be implemented by adding a small amount of metal atoms during material synthesis, without any additional process.” He continued, “I hope this technology will be useful in developing high-durable perovskite oxide electrode in the future.”
The study co-led by Professor Jung and Professor Jeong Woo Han at Department of Chemical Engineering, University of Seoul was featured as the cover of Energy and Environmental Science in the first issue of 2018.
(Figure1.Correlation between the extent of lattice strain in electrode, strontium segregation, and electrode reaction.)
(Figure 2. Cathode surface of solid oxide fuel cell stabilized using the developed technology)
2018.01.18 View 8256 -
A Parallel MRI Method Accelerating Imaging Time Proposed
KAIST researchers proposed new technology that reduces MRI (magnetic resonance imaging) acquisition time to less than a sixth of the conventional method. They made a reconstruction method using machine learning of multilayer perception (MLP) algorithm to accelerate imaging time.
High-quality image can be reconstructed from subsampled data using the proposed method. This method can be further applied to various k-space subsampling patterns in a phase encoding direction, and its processing can be performed in real time.
The research, led by Professor Hyun Wook Park from the Department of Electrical Engineering, was described in Medical Physics as the cover paper last December. Ph.D. candidate Kinam Kwon is the first author.
MRI is an imaging technique that allows various contrasts of soft tissues without using radioactivity. Since MRI could image not only anatomical structures, but also functional and physiological features, it is widely used in medical diagnoses. However, one of the major shortcomings of MRI is its long imaging time. It induces patients’ discomfort, which is closely related to voluntary and involuntary motions, thereby deteriorating the quality of the MR images. In addition, lengthy imaging times limit the system’s throughput, which results in the long waiting times of patients as well as the increased medical expenses.
To reconstruct MR images from subsampled data, the team applied the MLP to reduce aliasing artifacts generated by subsampling in k-space. The MLP is learned from training data to map aliased input images into desired alias-free images. The input of the MLP is all voxels in the aliased lines of multichannel real and imaginary images from the subsampled k-space data, and the desired output is all voxels in the corresponding alias-free line of the root-sum-of-squares of multichannel images from fully sampled k-space data. Aliasing artifacts in an image reconstructed from subsampled data were reduced by line-by-line processing of the learned MLP architecture.
Reconstructed images from the proposed method are better than those from compared methods in terms of normalized root-mean-square error. The proposed method can be applied to image reconstruction for any k-space subsampling patterns in a phase encoding direction. Moreover, to further reduce the reconstruction time, it is easily implemented by parallel processing.
To address the aliasing artifact phenomenon, the team employed a parallel imaging technique using several receiver coils of various sensitivities and a compressed sensing technique using sparsity of signals.
Existing methods are heavily affected by sub-sampling patterns, but the team’s technique is applicable for various sub-sampling patterns, resulting in superior reconstructed images compared to existing methods, as well as allowing real-time reconstruction.
Professor Park said, "MRIs have become essential equipment in clinical diagnosis. However, the time consumption and the cost led to many inconveniences." He continued, "This method using machine learning could greatly improve the patients’ satisfaction with medical service." This research was funded by the Ministry of Science and ICT.
(Firgure 1. Cover of Medical Physics for December 2017)
(Figure 2. Concept map for the suggested network)
(Figure 3. Concept map for conventional MRI image acquisition and accelerated image acquisiton)
2018.01.16 View 6608 -
New Arylation Inducing Reaction Developed
(Professor Chang(left) and Professor Baik)
KAIST researchers have identified a reaction mechanism that selectively introduces aryl groups at the desired position of a molecule at room temperature. A team, co-led by Professor Sukbok Chang and Mu-Hyun Baik of the Department of Chemistry, used an iridium catalyst for the reaction. The team also proved that the reaction proceeds by an unusual mechanism by employing computer simulations that were substantiated with targeted experimental probes.
Hydrocarbon is an omnipresent material in nature. But its low reactivity makes it difficult to process to value-added products at the room temperature. Thus, designing catalysts that can accelerate the reaction remains an important challenge in chemistry.
In particular, since most chemicals used in medicine, pharmacy, or material chemistry contain aryl groups, an effective reaction to selectively introduce the aryl group has been an area of intensive research in organic chemistry.
In order to introduce an aryl group into stable carbon-hydrogen (C-H) bond, activation of the C-H bond with a halogen atom or organic metal is required prior to the introduction of the aryl group, or C-H functionalization directly on C-H bond is needed. Direct functionalization is more effective and economical, but most reactions require harsh reaction conditions such as high temperature or excess additives. And adding the aryl fragment selectively to only one among the many possible sites in the molecule is difficult. The new catalyst developed by these KAIST researchers is highly selective.
This work is the latest example of a successful teamwork between experimental and theoretical research groups: Computer simulations revealed that traditional approaches to arylation required high energies because the intermediates produced during the reaction are too low in energy. Based on this insight, the researchers thought of changing the character of the intermediate by oxidizing it, which was predicted to be a great way of increasing the reactivity of the catalyst. Subsequent experimental work showed that this design strategy is highly effective resulting in unprecedented chemical transformations.
Professor Chang said, “We have been able to carry out location-selective arylation at room temperature, as well as identifying a new reaction pathway, different from the conventionally suggested mechanism.” He continued, “This research is significant for identifying the reaction pathway and developing a novel selective reaction method that does not require high temperature or additives based on the mechanistic understanding. This work is a triumph of rational design, rather than fortuitous discovery.” The research findings were published online in Nature Chemistry on December 11, 2017.
(Figure 1: X-ray crystal structure transmetallation intermediate)
(Figure 2: Correlation between oxidation state of intermediate and energy barrier required for reductive elimination of intermediate as calculated using density function from computational chemistry )
(Figure 3: Arylation mechanism using iridium catalyst as suggested by the research team)
2018.01.11 View 6016 -
Controlling Superconductivity Using Spin Currents
(Professor Jhinhwan Lee and Dr. Seokhwan Choi)
A KAIST research team led by Professor Jhinhwan Lee of the Department of Physics has discovered a method to flip between superconducting and non-superconducting states within an iron-based superconductor using a type of electron microscopy. The team applied spin-polarized and non-polarized currents to locally change the magnetic order in the sample.
The team identified a basic physical principle required to develop transistors that control superconductivity and to implement novel magnetic memory at the atomic level. This study is the first report of a direct real-space observation of this type of control. In addition, this is the first direct atomic-scale demonstration of the correlation between magnetism and superconductivity.
The team controlled and observed the magnetic and electronic properties with a spin-polarized scanning tunneling microscope (SPSTM), a device that passes an atomically-sharp metal tip over the surface of a sample. The team introduced new ways to perform SPSTM using an antiferromagnetic chromium tip. An antiferromagnet is a material in which the magnetic fields of its atoms are ordered in an alternating up-down pattern such that it has a minimal stray magnetic field that can inadvertently kill the local superconductivity of the sample when used as an SPSTM tip.
To study the connection between the C4 magnetic order and the suppression of superconductivity, the team performed high-resolution SPSTM scans of the C4 state with chromium tips and compared them with simulations. The results led them to suggest that the low-energy spin fluctuations in the C4 state cannot mediate pairing between electrons in the typical FeAs band structure. This is critical because this paring of electrons, defying their natural urge to repel each other, leads to superconductivity.
Professor Lee said, “Our findings may be extended to future studies where magnetism and superconductivity are manipulated using spin-polarized and unpolarized currents, leading to novel antiferromagnetic memory devices and transistors controlling superconductivity.”
This study was published in Physical Review Letters (PRL) on November 27 as the Editor’s Suggestion. It was also featured in Viewpoint in Physics, in which the top 3% of PRL papers are presented with a commentary. It was also featured on Phys.org, which is a science news website led by the US national research institutes. Furthermore, the equipment designed and manufactured by Professor Lee’s team and used for the research was selected for the cover of Review of Scientific Instruments (RSI) in the October 2017 issue.
Professor Lee said, “When designing the experiment, we attempted to implement some decisive features. For instance, we included a spin control function using an antiferromagnetic probe, wide range variable temperature functions that were thought to be impossible in high-magnetic field structures, and multiple sample storage functions at low temperatures for systematic spin control experiments, rather than using simpler scanning probe microscopes with well-known principles or commercial microscopes. As a result, we were able to conduct systematic experiments on controlling magnetism and superconductivity, which competing groups would take years to replicate.”
He continued, “There were some minor difficulties in the basic science research environment such as the lack of a shared helium liquefier on campus and insufficient university-scale appreciation for large scale physics that inevitably takes time. We will do our best to lead the advancement of cutting-edge science through research projects expanding on this achievement in physical knowledge to practical devices and various technological innovations in measurements.” This research was funded by National Research Foundation of Korea.
Figure 1. Research concept illustration
The spin-polarized chromium (Cr) tip being scanned over the pristine superconducting area of the C2 magnetic order, represented in the background with electron pairs shown as coupled red spheres. The spin current through the tip induces the C4 magnetic order (yellow and blue plaquettes) with suppressed superconductivity in the sample because its spin fluctuations cannot mediate electron pairing, represented as decoupled red spheres in the plaquette area.
2018.01.05 View 6099 -
Ultra-Low Power Flexible Memory Using 2D Materials
(Professor Choi and Ph.D. candidate Jang)
KAIST research team led by Professor Sung-Yool Choi at School of Electrical Engineering and Professor Sung Gap Im at the Department of Chemical and Biomolecular Engineering developed high-density, ultra-low power, non-volatile, flexible memory technology using 2D materials. The team used ultrathin molybdenum disulfide (MoS2) with atomic-scale thickness as the channel material and high-performance polymeric insulator film as the tunneling dielectric material. This research was published on the cover of Advanced Functional Materials on November 17. KAIST graduate Myung Hun Woo, a researcher at Samsung Electronics and Ph.D. candidate Byung Chul Jang are first authors.
The surge of new technologies such as Internet of Things (IoT), Artificial Intelligence (AI), and cloud server led to the paradigm shift from processor-centric computing to memory-centric computing in the industry, as well as the increase in demand of wearable devices. This led to an increased need for high-density, ultra-low power, non-volatile flexible memory. In particular, ultrathin MoS2 as semiconductor material has been recently regarded as post-silicon material. This is due to its ultrathin thickness of atomic-scale which suppresses short channel effect observed in conventional silicon material, leading to advantages in high- density and low-power consumption. Further, this thickness allows the material to be flexible, and thus the material is applicable to wearable devices.
However, due to the dangling-bond free surface of MoS2 semiconductor material, it is difficult to deposit the thin insulator film to be uniform and stable over a large area via the conventional atomic layer deposition process. Further, the currently used solution process makes it difficult to deposit uniformly low dielectric constant (k) polymeric insulator film with sub-10 nm thickness on a large area, thus indicating that the memory device utilizing the conventional solution-processed polymer insulator film cannot be operated at low-operating voltage and is not compatible with photolithography.
The research team tried to overcome the hurdles and develop high-density, ultra-low power, non-volatile flexible memory by employing a low-temperature, solvent-free, and all-dry vapor phase technique named initiated chemical vapor deposition (iCVD) process. Using iCVD process, tunneling polymeric insulator film with 10 nm thickness was deposited uniformly on MoS2 semiconductor material without being restricted by the dangling bond-free surface of MoS2. The team observed that the newly developed MoS2-based non-volatile memory can be operated at low-voltage (around 10V), in contrast to the conventional MoS2-based non-volatile memory that requires over 20V.
Professor Choi said, “As the basis for the Fourth Industrial revolution technologies including AI and IoT, semiconductor device technology needs to have characteristics of low-power and flexibility, in clear contrast to conventional memory devices.” He continued, “This new technology is significant in developing source technology in terms of materials, processes, and devices to contribute to achieve these characteristics.”
This research was supported by the Global Frontier Center for Advanced Soft Electronics and the Creative Materials Discovery Program by funded the National Research Foundation of Korea of Ministry of Science and ICT.
( Figure 1. Cover of Advanced Functional Materials)
(Figure 2. Concept map for the developed non-volatile memory material and high-resolution transmission electron microscopy image for material cross-section )
2018.01.02 View 9375 -
Non-Adiabatic Reaction Mechanism Identified at Conical Intersection
(Professor Kim(center) and Ph.D. candidates Kyung Chul Woo (left) and Kang Do Hyung)
Research team led by Professor Sang Kyu Kim at KAIST Department of Chemistry observed two distinct reaction pathways that occur at conical intersection where two different adiabatic potential energy surfaces cross at the same nuclear configuration.
Professor Kim previously identified the existence and molecular structure of conical intersection in 2010. In this following study, the team accurately measured reaction rates of two totally different reaction pathways activated only at conical intersection where the seminal Born-Oppenheimer approximation breaks down.
This study led by Kyung Chul Woo (1st author) and Do Hyung Kang, both Ph.D. candidates at KAIST, was published in Journal of the American Chemical Society in November 7th, 2017.
Chemical reaction induced by light occurs in excited electronic states where the reaction outcome is often destined by coupling among different electronic states mediated by nuclear motions during chemical reaction. Such a coupling is most critical and important at the conical intersection as nonadiabtic surface-hopping is most probable at situation where the Born-Oppenheimer approximation fails.
Professor Kim used spectroscopic methods in 2010 to experimentally observe conical intersection of polyatomic molecule. And yet, it was not possible to disentangle complex dynamic processes with frequency-domain study only.
The research team used pico-second time-resolution kinetic energy resolved mass spectrometry to identify two possible distinct reaction pathways in both energy and time domains.,.
The research team demonstrated that the reactive flux prepared at the conical intersection is bifurcated into adiabatic or non-adiabatic reaction pathways. These two pathways are quite distinct in terms of reaction rates, energy releases, and product branching ratios.
This is the first study to capture the moment of bifurcation dynamics at the conical intersection for complex polyatomic molecular system. The study could contribute to conceptual improvement in understanding complicated nonadiabatic dynamics in general.
Professor Kim said, “Basic science research is essential in understanding and wisely using the nature. New technological advances cannot be made without the advancement in basic science.” He continued, “I hope this study could lead to growth in many young academic talents in basic sciences.”
(Figure 1. Reaction graph starting from reaction intersection that divides into adiabatic reaction pathway (red) and non-adiabatic pathway (blue))
2017.12.19 View 6361 -
New Quantum Mechanical States Observed
(Professor Han (far right) and his research team)
A KAIST research team observed a new quantum mechanical magnetic state ‘Jeff = 3/2.’ This first observation of ‘Jeff=3/2’ could be the foundation for future research on superconductivity and quantum magnetism.
In quantum mechanics, total angular momentum is defined as the sum of spin and orbital angular momenta and is denoted with the ‘J.’ The newly identified magnetic moment can be described as a kind of angular momentum that occurs when specific conditions are met and has been denoted ‘Jeff’ with the meaning ‘effective angular momentum’ in the field. Jeff=3/2 has been a topic of discussion but was yet to be observed.
The research was co-led by Professor Myung Joon Han of the Department of Physics at Chung-Ang University in Korea, RIKEN in Japan, and the Argonne National Laboratory in the US. This research was published in Nature Communications on October 14, 2017.
In academia, spin-orbital coupling was known to lead to a unique quantum state and has been an active area of recent research. In contrast to magnetic moment by electron spin and orbital, the effective magnetic moment Jeff, formed from the coupling of the two, shows a unique ground state and interaction patterns, which could lead to new phenomena and properties.
Most studies in the last decade focused on ‘Jeff=1/2’, but there has not been any observation of ‘Jeff=3/2’, which led to slow progress. In 2014, the research team led by Prof. Han theoretically predicted the possibility of the ‘Jeff=3/2’ state in a certain type of materials based on molecular orbital, instead of atomic orbital. In the current study, the team applied the Selection Rule of quantum mechanics for the ‘Jeff=3/2’ state, which differs to the general spin moment, in order to experimentally detect this moment.
When electrons near the atomic nucleus are excited by X-rays, the excited electrons can be absorbed or re-emitted through interactions with other electrons. Here, the Selection Rule is applied to electrons. According to quantum mechanics, this rule is very unique in the ‘Jeff=3/2’ state and ‘Jeff=3/2’ is predicted to be distinguishable from general spin states. The prediction that was made using this idea was verified through the experiment using electrons extracted from tantalum at two different energy levels. In this material, the unique quantum mechanical interference by the ‘Jeff=3/2’ moment can be taken as direct evidence for its existence.
The new quantum state is very unique from any of the previously known magnetic states and this study could be the starting point for future research on the ‘Jeff=3/2’ moment. Further, this finding could contribute to future research on various properties of the magnetic states and its interactions.
(Figure 1: Crystal structure, MO levels, and RIXS process in GaTa4Se8.)
(Figure 2: Cluster model calculations of the L3 and L2 RIXS spectra)
2017.12.14 View 5906 -
Dr. Steven Chu Talks on Sustainable Energy Policy at KAIST
Nobel Laureate in physics and former US Energy Secretary Steven Chu called for concerted efforts to develop a more sustainable energy policy and portfolio at a lecture held at KAIST and a forum in Seoul on November 23.
A policy with an energy mix including nuclear power and renewable energy could be ideal for retaining a stable energy supply given Korea’s very limited geographical conditions, Chu said during the Future Energy Forum in Seoul. He also held a lecture at KAIST’s Daejeon campus on “Climate Change, the Importance of Science and Policy in Achieving a Sustainable Future.”
He said that unlike the United States, Korea and Japan have geographical limitations for generating enough renewable energy. "Wind speeds of more than 10 meters per second would allow wind power generation, but, South Korea's southernmost wind speed in Jeju is less than 8 meters per second, and the amount of sunshine is lower than in the Middle East. It is ideal to combine renewable energy with nuclear power plants," he said.
Chu also stressed the role of science in achieving a sustainable future, citing many cases in foreign countries. For instance, Germany once decided to do away with nuclear power. However, their initial plan does not directly raise energy efficiency and the proportion of fossil fuels has led to an increase in the environmental issue of fine particular matter as well as carbon dioxide emission increases.
He said that in the long term, renewable energy will emerge as major alternative resources, stressing the role of science in achieving a sustainable future. Without this alternative, we will eventually burn more fossil fuels and pollute the air.
Chu also said that nuclear waste and safe plant operation will be a big concern, but it is technologically viable since Korea has already proven its prowess in nuclear power plant building and safety technology.
Chu added, "Research in chemical energy storage through novel electrochemistry may lead to solutions, but for the next half century we will need additional energy-on-demand and carbon-free sources of energy from proven technologies."
"While science, innovation and technology will no doubt lead to better solutions, sound government policies are needed to advance the transition to carbon-free energy needed to achieve a more sustainable world," he said.
After serving as the US Secretary of Energy for four years from 2009 to 2013, Professor Chu returned to Stanford University, and currently holds a position of the William R. Kenan, Jr. Professor of Physics as well as Professor in the Department of Molecular and Cellular Physiology.
Professor Chu is known for his research at Bell Labs and Stanford University regarding the cooling and trapping of atoms with laser light, for which he won the Nobel Prize in Physics in 1997.
2017.11.24 View 5000