[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
X-ray free electron laser. Fig.1 shows the ultra high sensitive XAFS technique to study the Pt on theflat graphite surface in the fuel cell system. We can observe the XAFS of sub monolayer Pt. Also wehave successfully observed a new phenomenon called as MARX-RAMAN (Multi Atom Resonance
X-ray Raman) 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 typicalintermetallic catalyst. We have found a P easy diffusion path where beautiful tetrahedral intermediate
structure is realized as shown in Fig.2.

Contacts
Prof.: Kiyotaka ASAKURA
e-mail: askr
Phone: 9113
Assoc. Prof.: Satoru TAKAKUSAGIe-mail: takakusa
Phone: 9114
Assist. Prof:: Hiroko MIWA
e-mail: ariga
Phone: 9115

Catalyst Surface

ResearchDivision

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
molecular systems, the first principles molecular dynamics simulations for reaction dynamics, andanalytical methods 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.

Contacts
Prof.: Jun-ya HASEGAWA
e-mail: hasegawa
Phone: 9145
Assoc. Prof.: Akira NAKAYAMA
e-mail: nakayama
Phone: 9145
Assist. Prof:: Min GAO
e-mail: gaomin
Phone: 9145

ResearchDivision

Catalytic

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 freshcatalyst by the same air oxidation. The carbon catalyst can be utilized in a plug flow slurry reactor forhydrolysis of cellulose 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 of cellulose 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 ispractically used 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 theremoval of odorous organic compounds with the Pt catalyst.

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

TransformationResearch
Division

Abstract
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 or
metal-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 Material

Contacts
Prof.: 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
evaluation of energy-resolved density of electron traps in photocatalyst particles to be compared with
their photocatalytic 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 andphotocatalysis on them.

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

Photocatalysis

ResearchDivision

Molecular
Catalyst

Abstract
Carbon-carbon bond formation/cleavage remains a tremendous challenge confronting contemporary
synthetic organic chemistry. Our group has developed a class of transition metal-mediated reactions
that allow for a novel forming/cleaving pattern of C-C bonds. Particularly in the past few years, several
novel C-C bond formation and cleavage reactions on titanium have been demonstrated. In this context,
as shown in Scheme 1, the five cyclic carbons in dihydroindene moiety were cleaved and transformed
to five linearly aligned carbons, which were then further cleaved into one two-carbon and one
three-carbon fragments.
In parallel, we also attempted a range of approaches for the synthesis of substituted acenes. Our
most recent effort has been focusing on discovering a new route to the synthesis of 2D acenes fromacenes (Scheme 2). Toward this end, Mn catalysts were used to promote the dimerization of acenes at
the first ring following the introduction of a hydroxyl group. Finally, C-C bonds formed between theremaining carbons one at a time to give 2D acenes.

Contacts
Prof.: Tamotsu TAKAHASHI
e-mail: tamotsu
Phone: 9149

Research
Division

MacromolecularScienceResearchDivision

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-electronic functions, non-linear optical properties, separation functions, and pharmaceuticalactivities.
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 beenthought to be unique to main-chain conjugated polymers. Another goal is to create a polymer helix using
light: we have, for the first time, prepared a preferred-handed helix on the basis of chirality of light(circularly polarized light) in a reversible manner and further extended this work to a helical-sense
switching driven/triggered by light (Fig. 2).

Abstract
The Research and Development Division was started at the Institute for Catalysis (ICAT) Hokkaido
University in 2014 guided by the Ministry of Education, Culture, Sports, Science and Technology(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 ofPhysical and 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
Institute for Materials Science (NIMS) joined the project and “Catalyst Informatics Symposium” washeld in the collaboration with ICAT-Riken-AIST- NIMS.

Research andDevelopment

Contacts
Prof.: Tamaki NAKANO
e-mail: tamaki.nakano
Phone: 9155
Assoc. Prof.: Zhiyi SONG
e-mail: songzhiyi
Phone: 9153

Contacts
Prof.: Mayumi NISHIDA
e-mail: m-nishida
Phone: 9381
Assoc. Prof.: Tomohiro YASUDA
e-mail: t-yasuda
Phone: 9381

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 bothhard 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.

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

SustainableCatalyst

Extensive Research Section
Research Cluster

AbstractThe 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 asoxide-supported metal catalysts and electronic devices. It is not easy to prepare homogeneous subnanometersizedclusters on oxides because they are easily aggregated to form large clusters. We succeeded in preparing an
atomically dispersed metal species by premodifying an oxide surface with functional molecules before metaldeposition (Fig. 1), which may enable precise size control of subnanometer-sized clusters with unique catalyticproperties.

Well-definedSurfaceNanostructures

Contacts
Cluster Leader:
SatoruTAKAKUSAGIe-mail takakusa
phone: 9114

Research Cluster

Abstract
Our research focuses on development of plasmonic photocatalysis with ability of working at visible range of solar
spectrum, i.e. mono and bimetallic photocatalysts composed of gold, silver, copper, platinum and wideband
semiconductor. The influence of structural properties on the photocatalytic activity and the mechanism of chemical
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.,
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
properties of metal deposits, and thus on resultant photo- and antimicrobial properties will be also examined.

Contacts
Cluster Leader:
Ewa KOWALSKA
e-mail:kowalskaphone: 9130

Plasmonic
Photocatalysis

Research Cluster

AbstractOur research focuses on the understanding and theoretical modeling of interfaces (solid/air, solid/ liquid,solid/solid interfaces) with the help of computer simulations based on electronic structure theory, reaction dynamics,and statistical mechanics.
In particular, we focus on the following topics.
(a) Role of the acid-base and redox sites in catalytic reactions on the metal-oxide surface.
(b) First-principles thermodynamics and molecular dynamics simulations in heterogeneous catalysis.
(c) Catalyst design for direct conversion of methane and lower alkanes(d) Heterogeneous catalysis of carbon dioxide conversion to value-added chemical compounds.
(e) Development of the enhanced sampling scheme based on the first-principle molecular dynamics simulations.

Computer
Simulation ofInterfaces

Contacts
Cluster Leader:
Akira NAKAYAMA
e-mail: nakayama
phone: 9145

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.

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

Acid-BaseCatalysis

Research Cluster

AbstractAlloys 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 orderedalloys.
(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-induced
Synthesis 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