2018-2022 Grant-in-Aid for Scientific Research on Innovative Areas, MEXT, Japan

Hydrogenomics

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Research Outline

A01

High Densification Ability

By enhancing the ability of hydrogen to accumulate in high densities and integrating it with hydrogen’s other functions, we intend to synthesize new hydrogen clusters that exceed conventional limits on hydrogen density. This will permit the induction of hydrogen’s high-order functionalities. By enabling the electron orbits of hydrogen that are hidden in the low-energy region of the valence band to be raised to near the Fermi surface, as well as by inducing the high-speed migration and rotation of hydrogen clusters, we aim to synthesize super-functional materials such as hydride superconductors and superionic conductors. Research will be conducted in collaboration with researchers across the whole field.

High-pressure synthesis and hydrogenation device
(system with a solid pressure-transmitting medium)
High-density hydride comprising highly coordinated hydrogen clusters
A02

Interfacial Localizability 

We aim to induce the high-order functions of hydrogen by creating unique heterointerfaces. At the interfaces, hydrogen is arranged with high accuracy by controlling local stresses and band bending. By designing novel interfacial electronic states, we intend to develop hydride electronics, efficient photovoltaics, and high-strength steel. We are eager to collaborate with researchers across the whole field.

Schematic of a pulsed laser deposition system for preparing hydride thin films
Optimization of fabrication conditions for TiH2 thin films
A03

1:Fast Migration Ability 

By enhancing the high-speed migration capability of hydrogen and integrating it with hydrogen’s other functions, we intend to enhance the transport phenomena of hydrogen in macromolecular materials and metals considerably. This, in turn, will allow us to induce the high-order functions of hydrogen by controlling proton conduction and multi-electron transfer processes inside materials and at their interfaces. We aim to design next-generation devices for energy conversion and storage. Research will be conducted in collaboration with researchers across the whole field.

High-speed migration of protons in high density
Polymer material with hydrogen storage properties

2:Fast Migration Ability 

By enhancing the high-speed migration capability of hydrogen and integrating it with hydrogen’s other functions, we can achieve significantly strengthened coupling of electrons and various hydrogen species that transfer locally and at high speed, as well as enhance the superionic conductivity of hydrides. This, in turn, will induce the highorder functions of hydrogen. By controlling these functions inside organic materials, inorganic materials, and biomaterials, as well as at their heterointerfaces, novel devices can be developed. Research will be conducted in collaboration with researchers across the whole field.

An electrically conductive switching unit based on hydrogen–electron coupling
A novel device using a hydride superionic conductor
A04

High Activation Ability 

By enhancing the ability of hydrogen to accelerate reaction processes and by integrating this with hydrogen’s other functions, we intend to construct reaction fields in which various hydrogen species can be effectively activated and precisely controlled. This, in turn, will induce the high-order functions of hydrogen. By hierarchical construction of new catalytic reaction fields that enable the generation and conversion of active hydrogen species under mild conditions, new processes for converting hydrogen into different useful materials can be developed depending on the hydrogen species. Research will be conducted in collaboration with researchers across the whole field.

A structure-controlled alloy nanoparticle catalyst
A new material conversion process in a hierarchical catalytic reaction field
A05

1:Advanced Measurement and Simulation Techniques 

We aim to establish cutting-edge operando measurement techniques to measure the various states of various hydrogen species. These techniques will systematically analyze the absolute concentration distribution, atomic arrangement, and dynamics of hydrogen, which are difficult to detect inside materials. Furthermore, by integrating the aforementioned parameters with computed data from A01–A04 and A05–2 and establishing a hydrogen data assimilation technique, we will make significant progress in streamlining the process of developing innovative materials, devices, and reaction processes. Research will be conducted in collaboration with researchers across the whole field.

Analysis of hydrides using various cutting-edge beams
Profiles of nuclear reaction (top) and neutron scattering (bottom)

2:Advanced Measurement and Simulation Techniques 

By developing first-principles electronic-state calculation methods and integrating the methods with measurement data obtained from A01–A04 and A05–1, we intend to establish a hydrogen data assimilation technique to be used as a method based on statistical mathematics. This technique will be used to determine the absolute concentration ratio, atomic structure, and dynamics of hydrogen inside materials with high accuracy; to elucidate the expression mechanisms of the hydrogen functions; and to enhance the efficiency of theoretical prediction. Thus, we aim to make significant progress toward streamlining the process of developing innovative materials, devices, and reaction processes. We will conduct this research in collaboration with researchers across the whole research area.

Schematic of data assimilation
Electronic state of hydrogen in perovskite-type dielectrics

【Management support】

TOHOKU UNIVERSITY
Tel:022-215-2093
Email:secretary@hydrogenomics.jp

【Outreach】

Tokyo Institute of Technology
Tel:03-5734-2636
Email:outreach@hydrogenomics.jp
Hydrogenomics