九州大学 エネルギー研究教育機構

お問い合わせ
EN / JP

(PRESS RELEASE) Machine learning method speeds up discovery of green energy materials

(PRESS RELEASE) Machine learning method speeds up discovery of green energy materials

A group of researchers from Kyushu University, led by Professor Yoshihiro Yamazaki from the Department of Materials Science and Technology, Platform of Inter-/Transdisciplinary Energy Research (Q-PIT), in collaboration with Osaka University and the Fine Ceramics Center, have developed a machine learning framework to expedite the discovery of materials needed for green energy technology. Using this new approach, the team has identified and synthesized two new candidate materials for solid oxide fuel cells (devices that generate energy using fuels like hydrogen and do not emit carbon dioxide in the process).

The discovery was published in the Advanced Energy Materials journal and has implications beyond the energy sector, as it can speed up the search for other innovative materials.

Research result

Through the use of advanced materials science simulations and machine learning models, the research team has identified suitable combinations of base compounds and dopants to develop guidelines for introducing protons into materials. Using the developed guidelines, the team successfully synthesized Pb-doped Bi12SiO20 and Sr-doped Bi4Ge3O12 in a single attempt, and both were found to be new proton-conducting oxides (as shown in figure above). The former is particularly noteworthy as it's the first proton-conducting oxide in the world to have a sillenite structure and only consist of solely the group 14 and 15 cations. This is a significant breakthrough in the quest for searching better proton conductors.

The full version of the press release in English is available on the Kyushu University website and can be found here.

Research paper information

Journal: Advanced Energy Materials, 2301892, 2023
Title: Discovery of Unconventional Proton-Conducting Inorganic Solids via Defect-Chemistry-Trained, Interpretable Machine Learning
Authors: Susumu Fujii, Yuta Shimizu, Junji Hyodo, Akihide Kuwabara*, and Yoshihiro Yamazaki*
DOI:10.1002/aenm.202301892

(PRESS RELEASE) World’s First Development and Demonstration of Efficient Search Method for Unconventional Proton Conductors

The research group consisting of Yuta Shimizu, Specially Appointed Assistant Professor Junji Hyodo, and Professor Yoshihiro Yamazaki (Kyushu University’s Platform for Inter-/Transdisciplinary Energy Research (Q-PIT), Inamori Frontier Research Center and Master’s Program in Materials Science and Engineering, Graduate School of Engineering) in collaboration with Assistant Professor Susumu Fujii (Department of Materials Production Science, Graduate School of Engineering, Osaka University), and Chief Researcher Akihide Kuwahara (Nanostructures Research Laboratory, Japan Fine Ceramics Center), have developed a design guidelines for proton-conductive oxides using computation and data science, and have successfully synthesized several unconventional proton-conductive oxides in just one experiment. This material design guideline is expected to significantly advance the development of proton-conducting oxides and solid oxide fuel cells (SOFCs) that utilize them. In addition, applying the established search method to other materials is expected to accelerate the development of innovative materials in various fields.

Research result

Through the use of advanced materials science simulations and machine learning models, the research team has identified suitable combinations of base compounds and dopants to develop guidelines for introducing protons into materials. Using the developed guidelines, the team successfully synthesized Pb-doped Bi12SiO20 and Sr-doped Bi4Ge3O12 in a single attempt, and both were found to be new proton-conducting oxides (as shown in figure above). The former is particularly noteworthy as it's the first proton-conducting oxide in the world to have a sillenite structure and only consist of solely the group 14 and 15 cations. This is a significant breakthrough in the quest for searching better proton conductors.

The full version of the press release is available on the website of Kyushu University and can be found here (in Japanese).

Research paper information

Journal: Advanced Energy Materials, 2301892, 2023
Title: Discovery of Unconventional Proton-Conducting Inorganic Solids via Defect-Chemistry-Trained, Interpretable Machine Learning
Authors: Susumu Fujii, Yuta Shimizu, Junji Hyodo, Akihide Kuwabara*, and Yoshihiro Yamazaki*
DOI:10.1002/aenm.202301892

Breaking Barriers in Genomic Research: Quantum Computing Identifies Single DNA Building Blocks

Prof. Tomofumi Tada from Q-PIT published the research paper entitled “Single-Molecule Identification of Nucleotides Using a Quantum Computer.” This study achieves a significant milestone in genomics and quantum computing, demonstrating the successful identification of individual DNA nucleotides via quantum computing technology. The research introduces a specialized quantum gate that effectively distinguishes adenosine among the four nucleotides, a crucial step toward quantum-driven genome analysis. This advancement holds potential implications for personalized medicine, drug development, and diagnostics. 

Access the full paper recently published in The Journal of Physical Chemistry B (ACS) to explore details of the work and its potential practical applications at the intersection of quantum computing and genomics.

Single-Molecule Identification of Nucleotides Using a Quantum Computer

Prof. Yamazaki’s paper was selected as the cover art!

About the cover-art in Chemistry of Materials

Local structures that activate proton conduction in oxides have remained unsolved since the discovery of the phenomenon in 1981. Here, in situ X-ray absorption spectroscopy and ab initio Monte Carlo simulations are combined to reveal that oxygen vacancies sandwiched by one or two Sc dopants are the active centers.

Research paper information

Journal: Chemistry of Materials, 35, 6, 2289–2301, 2023
Title: Probing Local Environments of Oxygen Vacancies Responsible for Hydration in Scdoped Barium Zirconates at Elevated Temperatures: In Situ X-ray Absorption Spectroscopy, Thermogravimetry, and Active Learning Ab Initio Replica Exchange Monte Carlo Simulations
Authors: Kenta Hoshino, Shusuke Kasamatsu, Junji Hyodo, Kentaro Yamamoto, Hiroyuki Setoyama, Toshihiro Okajima, and Yoshihiro Yamazaki*
DOI: 10.1021/acs.chemmater.2c02116

(PRESS RELEASE) Probe where the protons go to develop better fuel cells

A research team composed of Dr. Kenta Hoshino, Dr. Junji Hyodo, Dr. Kentaro Yamamoto, and Professor Yoshihiro Yamazaki from Q-PIT and the Graduate School of Materials Science and Engineering, along with Associate Professor Shusuke Kasamatsu from the Yamagata University, Faculty of Science, have collaborated with Dr. Hiroyuki Setoyama from the Kyushu Synchrotron Radiation Research Center, and Toshihiro Okajima, Deputy Director of the Aichi Synchrotron Radiation Research Center, to uncover the chemical innerworkings of a perovskite-based electrolyte in the solid-oxide fuel cell, they developed. The team combined synchrotron radiation analysis, large-scale simulations, machine learning, and thermogravimetric analysis, to uncover the active site of where hydrogen atoms are introduced within the perovskite lattice in its process to produce energy.

Research results

Researchers have made progress in the study of proton-conducting oxides for use in intermediate-temperature protonic ceramic fuel cells. The team focused on heavily Sc-doped barium zirconate perovskite, which has high proton conductivity and chemical stability. The researchers used in situ X-ray absorption spectroscopy, thermogravimetry, X-ray diffractometry, and active learning ab initio replica exchange Monte Carlo simulations to examine the local environment of oxygen vacancies responsible for hydration. They found that Sc-VO-Zr and Sc-VO-Sc environments contribute to the hydration, with the latter being more prevalent at higher degrees of hydration. This study has implications for the development of more efficient fuel cells.

The full version of the press release is available on the website of Kyushu University and can be found here.

Research paper information

Journal: Chemistry of Materials
Title: Probing Local Environments of Oxygen Vacancies Responsible for Hydration in Scdoped Barium Zirconates at Elevated Temperatures: In Situ X-ray Absorption Spectroscopy, Thermogravimetry, and Active Learning Ab Initio Replica Exchange Monte Carlo Simulations
Authors: Kenta Hoshino, Shusuke Kasamatsu, Junji Hyodo, Kentaro Yamamoto, Hiroyuki Setoyama, Toshihiro Okajima, and Yoshihiro Yamazaki*
DOI: 10.1021/acs.chemmater.2c02116

(PRESS RELEASE) A little strain goes a long way in reducing fuel cell performance

As announced in the recent press release from Kyushu University, Prof. Yoshihiro Yamazaki from Q-PIT and his colleague Prof. Junji Hyodo reported that strain caused by just a 2% reduction in the distance between atoms when deposited on a surface leads to a whopping 99.999% decrease in the speed at which the materials conduct hydrogen ions, significantly reducing the performance of solid oxide fuel cells.

Research result at glance

When yttrium-doped barium zirconate (BZY20) is deposited on an electrode, the atoms near the surface are compressed from their ideal position. This in-plane compressive strain increases the barrier to proton diffusion, thus reducing proton conductivity and reducing performance to levels that match reported values for actual solid oxide fuel cells.

The full press release can be found on the Kyushu University homepage

Research paper information

Publisher:Journal of Physics: Energy
Tittle:Quantitative Evaluation of Biaxial Compressive Strain and its Impact on Proton Conduction and Diffusion in Yttrium-doped Barium Zirconate Epitaxial Thin Films
Authors:Junji Hyodo and Yoshihiro Yamazaki
DOI:10.1088/2515-7655/ac889e

Prof. Akari Hayashi received the Future Creation Invention Award from the Japan Institute of Invention and Innovation

Professor Akari Hayashi, coordinator of the Education Promotion Division at Q-PIT has received the Future Creation Invention Award (the year 2022) from the Japan Institute of Invention and Innovation.

The award-winning invention is titled “Invention of ultra-low power consumption type versatile electrochromic material” (Patent No. 5062712).

The details can be found on the official website of the Japan Institute of Invention and Innovation using the following LINK (in Japanese)

Associate Professor Hooman Farzaneh of Future Energy Management Research Unit was adapted for the FY2020 research grants by Kyushu Renewable Energy Agency

Associate Professor Hooman Farzaneh of Future Energy Management Research Unit was adapted for the FY2020 research grants by Kyushu Renewable Energy Agency.

Kyushu Renewable Energy Agency, it aims to contribute to the promotion of the spread of natural energy in Kyushu by subsidizing research on natural energy such as solar power generation.

Tytle of Research: Design and development of a low cost highly efficient Microgrid control in Chikushi Campus

 

 

 

Q-pit faculty member’s interview with ACP on Quantifying and Visualising Co-benefits in Asia

Q-pit faculty member’s interview with ACP on Quantifying and Visualising Co-benefits in Asia

The contents can be confirmed with the link below.

https://www.cobenefit.org/publications/images/ACP_Newsletter%20Vol19.pdf

Associate Professor Tatsuya Wakeyama of The University of Kyushu won the Outstanding Presentation Award at Japan Wind Energy Association.

Associate Professor Tatsuya Wakeyama of The University of Kyushu won the Outstanding Presention Award at Japan Wind Energy Association.

The paper of Award is Renewable Integration Grid Study for the 2030 Japanese Power System.

Please click here for the details.→http://www.jwea.or.jp/menu2-3.html

ありません。

Page
Top