[Table II]

Contact Information* Please input ".hokudai.ac.jp"after "@cat", when you send an E-mail.
Please put “81-11-706-” in front of the phone number.

ResearchDivision

Abstract
Our missions are to develop unique surface analysis techniques, to observe the catalytically active
solid surfaces on an atomic level, to reveal the reaction mechanisms, to make the catalyticallyinteresting surfaces and to manipulate the surface reactions. We applied the accelerator based beamtechniques to the characterization of the surfaces such as synchrotron radiation, positron, muon and Xray free electron laser. Fig.1 shows the ultra high sensitive XAFS technique to study the Pt on the flatgraphite surface in the fuel cell system. We can observe the XAFS of sub monolayer Pt. Also we havesuccessfully observed a new phenomenon called as MARX-RAMAN (Multi Atom Resonance X-rayRaman) sensitive to the local structure of the atom accompanying the specific bond. Intermetallics draw
much attention as a new class of catalysts. We are investigating Ni2P, a typical intermetallic catalyst.
We have found a P easy diffusion path where beautiful tetrahedral intermediate structure is realized asshown in Fig.2.

Catalyst Surface

Contacts
Prof.: Kiyotaka ASAKURA
e-mail: askr
Phone: 9113
Assoc. Prof.: Satoru TAKAKUSAGIe-mail: takakusa
Phone: 9114

Research
Division

Catalysis Theory

Abstract
To understand complex mechanisms in catalytic processes, we are developing accurate theories fordescribing electronic structures in complex molecular systems, the QM/MM methods for large molecularsystems, the first principles molecular dynamics simulations for reaction dynamics, and analyticalmethods based on quantum and statistical mechanics. These methods are applied to various catalytic
reactions involving organic, transition-metal, and heterogeneous catalysts.
Our current research focuses on the following topics:
1. Mechanism of hydrolysis by model carbon catalysts.
2. Mechanism of ethylene oxidation with Pt/mesoporous SiO2 catalyst.
3. Organic catalytic reactions on the metal-oxide surface.
4. Computer-aided catalyst design for methane activation.
5. Mechanism of the Pt-catalyzed the reduction of the amide with bifunctional hydrosilane.
6. Reaction mechanism on metal clusters.

ContactsProf.: Jun-ya HASEGAWA
e-mail: hasegawa
Phone: 9145
Assoc. Prof.: Kenji IIDA
e-mail: k-iida
Phone: 9145
Assist. Prof:: Min GAO
e-mail: gaomin
Phone: 9145

Research
Division

Catalytic
Transformation

Research
Division

Abstract
Our strategy is molecular design of heterogeneous catalysts and their application for utilization ofrenewable energies and environmental protection. One of our topics is conversion of non-food biomass
to valuable chemicals by heterogeneous catalysts. We have found that air oxidation of woody biomass
provides a weakly acidic carbon that can hydrolyze the woody biomass to glucose and xylose. The solid
residue containing the carbon catalyst and lignin after reaction is converted back to a fresh catalyst by
the same air oxidation. The carbon catalyst can be utilized in a plug flow slurry reactor for hydrolysis ofcellulose to soluble β-1,4 glucans that are further hydrolyzed to glucose in a fixed bed reactor over a
conventional solid acid catalyst (Fig. 1). This process is the first example for continuous conversion ofcellulose to soluble products in a slurry system.
Our interest also includes catalytic application of mesoporous materials. We reported high activity ofPt/mesoporous silica in low temperature oxidation of ethylene to CO2 (Fig. 2). This catalyst is practicallyused in the latest models of refrigerators to inhibit aging of vegetables and fruits. We are currently
studying the structure-activity relationship in this reaction and also further application for the removal ofodorous organic compounds with the Pt catalyst.

Abstract

Contacts
Prof.: Atsushi FUKUOKA
e-mail: fukuoka
Phone: 9140
Assoc. Prof.: Kiyotaka NAKAJIMA
e-mail: nakajima
Phone: 9136
Assist. Prof:: Hirokazu KOBAYASHI
e-mail: kobayashi.hi
Phone: 9137
Assist. Prof:: Abhijit SHROTRI
e-mail: ashrotri
Phone: 9137

Contacts

Our aim is to design new heterogeneous catalysts for green organic reactions and automotive pollution
control with minimum use of precious metal resources. Mechanistic and structural studies by various insitu spectroscopic methods establish the structure-activity relationship, which provides fundamental
aspects for catalyst design. We have found that creation of multifunctional active sites at metal-metal ormetal-support interfaces is a key factor for design of novel catalysts. Interplay of experiments,computational chemistry and data science is our new methodology to develop heterogeneous catalysts
for energy and environmental issues.
Catalyst MaterialProf.: Ken-ichi SHIMIZU
e-mail: kshimizu
Phone: 9164
Assoc. Prof.: Shinya FURUKAWA
e-mail: furukawa
Phone: 9162
Assist. Prof:: Takashi TOYAO
e-mail: toyao
Phone: 9165

ResearchDivision

Abstract
We are aiming to design, fabricate and characterize photocatalyst particles and to clarify the mechanismof their photocatalysis. (1) reversed double-beam photoacoustic spectroscopy (RDB-PAS) for evaluationof energy-resolved density of electron traps in photocatalyst particles to be compared with theirphotocatalytic activity; (2) examination of light-intensity dependence of photocatalytic reactions using
an ultrahigh-intensity continuous monochromatic light source to find electron-transfer mechanism
depending on the density of electrons or holes in a particle; (3) preparation of highly active titanium(IV)oxide (titania) photocatalyst particles (Fig. 1) using a newly developed gas-phase reactor; (4)development of metal oxide particles with micro-macro hierarchical structure (Fig. 2) throughhydrothermal reaction, and clarification of the mechanism of those particle formation and photocatalysis
on them.

Photocatalysis

Contacts
Prof.: Bunsho OHTANI
e-mail: ohtani
Phone: 9132
Assoc. Prof.: Ewa KOWALSKA
e-mail: kowalska
Phone: 9130
Assist. Prof:: Mai TAKASHIMA
e-mail: takashima.m
Phone: 9130

Research
Division

Abstract
Based on manipulating and understanding chemical reactions, we cultivate a novel molecular catalysis forcontributing sustainable production of organic fine chemicals and materials. Particularly, we are focusing
on the control of fundamental active species (anions, radicals, and cations) involved in chemical reactions
by creating unprecedented molecules and eliciting the catalytic power inherent in their structure. Ouroriginal catalysts enable various selective transformations and thus, precise construction of complex
organic frameworks. In addition, we aim to develop new chemical reactions through the experimental
and theoretical understanding the behavior of molecules.

Molecular
Catalyst

Contacts
Prof.: Daisuke URAGUCHI
e-mail: uraguchi
Phone: 9149

ResearchDivision

Abstract
Our research activities focus on the synthesis of polymers having controlled structures including helices,
π-stacked conformations, and hyperbranches and supramolecules including ordered liquid crystalline
phases aiming at creating advanced materials showing catalytic activities, photo emission, photo-electronicfunctions, non-linear optical properties, separation functions, and pharmaceutical activities.
We have succeeded in the synthesis andstructural elucidation of π-stacked vinyl polymer, poly(dibenzofulvene), for the first time (Fig. 1). Basedon the π-stacked structure, this polymer shows valuable photo electronic properties that have been thought
to be unique to main-chain conjugated polymers. Another goal is to create a polymer helix using light: wehave, for the first time, prepared a preferred-handed helix on the basis of chirality of light (circularlypolarized light) in a reversible manner and further extended this work to a helical-sense switching
driven/triggered by light (Fig. 2).

MacromolecularScienceContacts
Prof.: Tamaki NAKANO
e-mail: tamaki.nakano
Phone: 9155
Assoc. Prof.: Zhiyi SONG
e-mail: songzhiyi
Phone: 9157
Assist. Prof:: Masayoshi Bandoe-mail: masayoshi.bando
Phone: 9157

ResearchDivision

AbstractContacts

The Research and Development Division was started at the Institute for Catalysis (ICAT) Hokkaido Prof.: Mayumi NISHIDA
e-mail: m-nishida
University in 2014 guided by the Ministry of Education, Culture, Sports, Science and Technology
Phone: 9381
(MEXT). At the end of 2014, Hokkaido University and the National Institute of Advanced Industrial
Science and Technology (AIST) drew up a contract to realize the cross-appointment system to reinforce
the government-industry-academia network. In 2015, I was appointed the leader of the Hokkaido
University Cross-appointment Team, that was set up in the Interdisciplinary Research Center for
Catalytic Chemistry AIST. Then, with the cooperation of ICAT, AIST and Riken (the Institute of Physicaland Chemical Research), we launched the project named “Catalyst Informatics.” The Arti cialIntelligence Research Center AIST helped facilitate and drove the project. In 2017, the National Institutefor Materials Science (NIMS) joined the project and “Catalyst Informatics Symposium” was held in thecollaboration with ICAT-Riken-AIST- NIMS.
Research andDevelopment

Department of Target ResearchCentral Research Section
Research Cluster

Abstract
This cluster is aiming at promoting advanced catalysis research. Our projects are to develop and maintain both
hard and soft infrastructures in the institute, to promote and enhance the collaborations and cooperation in thecommunity of catalysis science and engineering, and to develop the forefront of the interdisciplinary area related tocatalysis. (1) Sustainable catalysis research project is to promote and support advanced catalysis researches as wellas to introduce transcendental approaches in catalysis. (2) Training and education program is to contribute indeveloping human resources and in outreach activities to the society. (3) Database project is to accumulate
experimental and XAFS information of catalytic systems and to develop catalysis informatics.

Sustainable
Catalyst

Contacts
Cluster Leader:
HASEGAWAJun-yae-mail: hasegawa
Phone: 9145

Extensive Research Section
Research Cluster

Abstract
The objective of our research group is to create well-defined active nanostructures by modifying oxide single crystal
surfaces with various functional molecules and metals. The origin of the catalytic activity is elucidated by using
advanced surface science techniques such as STM and PTRF-XAFS. Machine-learning technique is also applied topredict nanostructures with higher activity.
We are now focusing on metal clusters on oxide surfaces because they are technologically important as oxidesupported metal catalysts and electronic devices. It is not easy to prepare homogeneous subnanometersized clusters
on oxides because they are easily aggregated to form large clusters. We succeeded in preparing an atomicallydispersed metal species by premodifying an oxide surface with functional molecules before metal deposition (Fig.
1), which may enable precise size control of subnanometer-sized clusters with unique catalytic properties.

Well-definedSurfaceNanostructures

Contacts
Cluster Leader:
SatoruTAKAKUSAGIe-mail takakusa
phone: 9114

Research Cluster

Abstract

Contacts

Our research focuses on development of plasmonic photocatalysis with ability of working at visible range of solar Cluster Leader:
spectrum, i.e. mono and bimetallic photocatalysts composed of gold, silver, copper, platinum and wideband
Ewa KOWALSKA
semiconductor. The influence of structural properties on the photocatalytic activity and the mechanism of chemicale-mail: kowalska
and microbiological (bacteria and fungi) pollutants degradation is investigated.
The mechanism of photocatalytic action under visible light irradiation will be studied by a few methods, e.g.,phone: 9130
photoacoustic spectroscopy (PAS), reversed double beam photoacoustic spectroscopy (RDB-PAS), time-resolved
microwave conductivity (TRMC), electron paramagnetic resonance (EPR) spectroscopy, fluorescence spectroscopy,
quasi-Fermi level determination, action spectrum analysis. The influence of titania facets (101 and 001) on propertiesof metal deposits, and thus on resultant photo- and antimicrobial properties will be also examined.

Plasmonic
Photocatalysis

Research Cluster

Abstract
Chemical production from renewable and easily accessible carbohydrates in nature is increasingly important inrecent years for the development of sustainable society. Plant-derived carbohydrates, which show higher reactivity
than fossil fuel-derived hydrocarbons, can be converted to attractive platform molecules (furans, organic acids,ketones, aldehydes, olefin, etc.) by acid-base catalysis in the presence of water. In this project, acid and basefunctionality of electron-deficient metal species and electron-rich lattice oxygen sites, respectively, on metal oxides
has been studied for the carbohydrates conversion in the presence of water. Precise control of basicity for oxide
catalysts would enable selective production of various small (C2-C4) and large (> C12) hydrocarbons thoughfragmentation and condensation reactions. The resulting molecules can be used as sustainable resources for theproduction of a variety of industrially important chemicals.

Acid-Base
Catalysis

Contacts
Cluster Leader:
Kiyotaka
NAKAJIMAe-mail: nakajima
phone: 9136

Research Cluster

Abstract
Alloys have been recognized as effective catalyst materials. However, the general methodology and theory forcatalyst design remain under debate and construction. To develop efficient alloy catalysts and establish thecorresponding chemistry, it is important to understand the surface structures and electronic states of the alloys in anatomic level. For this purpose, we study the following themes from the viewpoints of catalytic chemistry, metallurgy,
surface science, and theoretical chemistry:(1) Achieving stereo and regioselective molecular transformations using specific atomic arrangementsof ordered
alloys.
(2) Development of surface-modified intermetallics for efficient molecular conversion.
(3) Synthesis and application of “intermetallic-sloid solution hybrid alloys” for well-controllable catalyst design.

Functional Alloy
Catalysts

Contacts
Cluster Leader:
Shinya FURUKAWA
e-mail: furukawa
phone: 9162

Research Cluster

Transitionmetals-inducedSynthesis andTransformation ofPolymer

Abstract
Carbon-carbon bond formation/cleavage on transition metals has been almost exclusively investigated due to thenumerous contributions to organic synthesis. In this cluster, carbon-carbon bond formation/cleavage on transition
metals were applied to develop new synthetic methodologies for polymers or oligomers.
Processes for producing co-oligomers with high regioregularity are important objects in many researches. Herein,
metallacycle-including polymer or oligomer were synthesized. Through the carbon-carbon bond formation/cleavage
on transition metals, the metallacycle moiety was converted to a variety of aromatic rings. Subsequently, a variety ofhighly regioregular co-oligomers were synthesized from the same metallacycle-including oligomer.

Contacts
Cluster Leader:Zhiyi SONG
e-mail: songzhiyi
phone: 9153

Research Cluster

Abstract
Our research purpose is understanding and designing catalytic reactions near solid/liquid and substrate/nanoparticle
interfaces under external fields. By combining theoretical frameworks of quantum and statistical mechanics, wedevelop a theoretical method which can be applied to interface systems under light or electrode bias. The method isused to formulate theoretical guidelines for controlling catalytic activity by both microscopic chemical bonds andmacroscopic interface shapes. Our present study focuses on the following topics:(a) Controlling optoelectronic properties of plasmonic nanoalloys for photocatalysts.
(b) Mechanism of photoreactions catalyzed by organic metal complexes and metal nanoparticles supported on ametal-oxide.
(c) Role of light and electrode bias in chemical reactions.

Nano-Interface
Reaction Field(d) Development of a theoretical method for electrode catalytic reactions.

Contacts
Cluster Leader:
Kenji IIDA
e-mail: k-iida
phone: 9145

Catalysis Collaboration Research Center
Unit

Abstract
Precise synthesis of ligand-protected subnanometer metal clusters, Interfaceof inorganic nanoentities and organic-based molecules, Supramolecular aassemblyof Clusters ("Cluster of clusters"), Supramolecular/macromolecular chemistryof multimetallic compounds.
Development of “predictive” chemical theory for reaction, electron, andspectroscopy and programs, as well as advanced computational chemistry applications.
First-principle excited-state reaction dynamics, Theory-guiding catalysis design
with elementary strategy, Development of a large-scale electronic structure theory,
Near-field molecular theory, Reaction informatics.
Synthetic organic chemistry, Asymmetric catalysis, Bimetallic cooperativecatalysis, Natural product synthesis, Oligosaccharide synthesis based on newglycosidation method.

HU Catalysis
Alliance

Bio-engineering of carbohydrates and related compounds, including α-glucans, βmannosides, and others, for production of functional foods and biomaterials.
Exploring novel enzymatic activities and engineering of the enzymes. Carbohydrate
metabolic pathways and relevant enzymes in living organisms.
Fabrication of oxide nanofilms, Nanoporous films and functional surfaces using
electrochemical processes, Tailoring of novel materials for batteries and fuelcells for next generation.
Development of nano materials and evaluation of properties by quantum beam analysis
method, Multi quantum beam high voltage electron microscope (MQB-HVEM),
Nonequilibrium materials science, Materials involving quantum beams, Developmentof nanomaterials, Nuclear reactor materials, Fusion reactor materials, Finestructure analysis using transmission electron microscopy.
Material design and engineering, Adsorption engineering, Separationengineering, Precise structural controlling of porous materials, Developmentof new production systems of nanomaterials, Development of devices for reaction
and separation using nanomaterials, Material recycling.
Solid catalyst for purification of water, Solid catalyst with heteropoly
compounds, Solid material for recovery of resources.

Host researcher
e-mailphone

Katsuaki KONISHI (Faculty ofEnvironmental Earth Science)konishi@ees.

4538

Tetsuya TAKETSUGU(Faculty of Science)take@sci.

3535

Shigeki MATSUNAGA（Faculty of PharmaceuticalSciences）
smatsuna@pharm.
3236
Haruhide MORI
(Research Faculty of Agriculture)
hmori@chem.agr.

2497

Hiroki HABAZAKI(Faculty of Engineering)habazaki@eng.
6575
Tamaki SHIBAYAMA(Faculty of Engineering)shiba@qe.eng.

6774

Shin MUKAI (Faculty of Engineering)smukai@eng.

6592

Yuichi KAMIYA (Faculty ofEnvironmental Earth Science)
kamiya@ees.
2217