Y. Morikawa

发表

Spin- and energy-dependent tunneling through a single molecule with intramolecular spatial resolution.

S. Blügel, R. Wiesendanger, P. Lazic, 2010, Physical review letters.

Characteristics and Mechanism of Catalyst-Referred Etching Method: Application to 4H-SiC

Kazuto Yamauchi, Yoshitada Morikawa, Yasuhisa Sano, 2018, Int. J. Autom. Technol..

Electric Field Effect on the Adsorption State of Methylthiolate on Au(111)

I. Hamada, A. Nagoya, Y. Morikawa, 2008 .

A theoretical study of surface-structural sensitivity of the reverse water-gas shift reaction over Cu(hkl) surfaces

Guichang Wang, J. Nakamura, Zunsheng Cai, 2003 .

Origin of the stability of Ge(105) on si: a new structure model and surface strain relaxation.

T. Nagao, M. Lagally, K. Terakura, 2002, Physical review letters.

Microscopic properties of ionic liquid/organic semiconductor interfaces revealed by molecular dynamics simulations.

K. Fukui, A. Imanishi, K. Inagaki, 2018, Physical Chemistry, Chemical Physics - PCCP.

Structural and dynamic properties of 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide/mica and graphite interfaces revealed by molecular dynamics simulation.

K. Fukui, A. Imanishi, K. Inagaki, 2018, Physical chemistry chemical physics : PCCP.

Augmented pH-sensitivity absorbance of a ruthenium(ii) bis(bipyridine) complex with elongation of the conjugated ligands: an experimental and theoretical investigation.

K. Inagaki, S. Yanagisawa, M. Kassim, 2017, Physical chemistry chemical physics : PCCP.

Green's function method for elimination of the spurious multipole interaction in the surface/interface slab model

I. Hamada, O. Sugino, M. Otani, 2009 .

First‐principles study of the surface phase diagrams of GaN(0001) and (000−1) under oxide vapor phase epitaxy growth conditions

Y. Kangawa, K. Kakimoto, Y. Mori, 2017 .

Understanding the Metal–Molecule Interface from First Principles

L. Kronik, Y. Morikawa, 2013 .

Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces

Guichang Wang, J. Nakamura, Zunsheng Cai, 2004 .

Electronic structure of hydrogen-terminated silicon surfaces [H-Si(111)] studied by two-photon photoemission

N. Hirata, A. Nakajima, H. Tada, 2010 .

Mechanistic Analysis of Oxygen Vacancy Formation and Ionic Transport in Sr3Fe2O7−δ

Y. Morikawa, H. Kizaki, T. Ota, 2018 .

Absolute surface energies of oxygen-adsorbed GaN surfaces

Y. Kangawa, K. Kakimoto, T. Akiyama, 2020 .

Growing 3D-nanostructured carbon allotropes from CO2 at room temperature under the dynamic CO2 electrochemical reduction environment

J. Goodwin, S. Wannapaiboon, P. Praserthdam, 2021, Carbon.

Important role of molecular permanent dipoles of the Alq3/Al interface studied from first-principles

S. Yanagisawa, Y. Morikawa, 2006 .

Kinetic mechanism of methanol decomposition on Ni(111) surface: a theoretical study.

Guichang Wang, J. Nakamura, Zunsheng Cai, 2005, The journal of physical chemistry. B.

Chemical etching of silicon carbide in pure water by using platinum catalyst.

Y. Sano, K. Yamauchi, S. Matsuyama, 2017, Applied physics letters.

Jahn-Teller distortion and magnetic structures in LaMnO{sub 3}

N. Hamada, K. Terakura, Y. Morikawa, 1997 .

Computational investigations of electronic structure modifications of ferrocene-terminated self-assembled monolayers: effects of electron donating/withdrawing functional groups attached on the ferrocene moiety.

K. Fukui, A. Imanishi, K. Inagaki, 2017, Physical chemistry chemical physics : PCCP.

Switchover of Reaction Mechanism for the Catalytic Decomposition of HCOOH on a TiO2(110) Surface

Y. Iwasawa, Y. Uemura, Y. Morikawa, 2007 .

Rebonded SB step model of Ge/Si(105)1×2: A first-principles theoretical study

M. Lagally, T. Hashimoto, K. Terakura, 2002 .

Hydrogenation of Formate Species Using Atomic Hydrogen on a Cu(111) Model Catalyst.

I. Hamada, T. Kondo, T. Fujitani, 2022, Journal of the American Chemical Society.

Electronic Structures of Ag and Au Adsorbed on TiO2(110) Surfaces by First-Principles Calculations

M. Kohyama, Shingo Tanaka, S. Ichikawa, 2006 .

Effects of stoichiometry on electronic states of Au and Pt supported on TiO2(110)

Koji Tanaka, M. Kohyama, K. Okazaki, 2005 .

Atomic and Electronic Structures of Au/TiO 2 Catalyst – First-Principle Calculations –

Koji Tanaka, M. Kohyama, K. Okazaki, 2002 .

Elucidation of Cu–Zn Surface Alloying on Cu(997) by Machine-Learning Molecular Dynamics

Y. Morikawa, H. H. Halim, 2022, ACS physical chemistry Au.

Comparative study of dehydrogenation of methanol at Pt(111)/water and Pt(111)/vacuum interfaces

O. Sugino, Y. Okamoto, T. Ikeshoji, 2003 .

A novel mechanism for spectator CO-mediated reaction with unique cis-(NO)2 dimer on a Co2+-dimer/γ-Al2O3(1 1 0) model catalyst: Density functional theory calculations

Y. Iwasawa, Y. Morikawa, Takehiko Sasaki, 2010 .

A new aspect of heterogeneous catalysis: Highly reactive cis-(NO)2 dimer and Eley–Rideal mechanism for NO–CO reaction on a Co-dimer/γ-alumina catalyst

Y. Iwasawa, Y. Morikawa, Takehiko Sasaki, 2007 .

First-Principles Theoretical Study and Scanning Tunneling Microscopic Observation of Dehydration Process of Formic Acid on a TiO2(110) Surface†

Masaki Aizawa, Y. Morikawa, Takehiko Sasaki, 2004 .

First-Principles Molecular Dynamics Simulation of Alkanethiol Self-Assembled Monolayers on Au.

Tomohiro Hayashi, H. Nozoye, Y. Morikawa, 2002 .

Photoelectron Holographic Atomic Arrangement Imaging of Cleaved Bimetal-intercalated Graphite Superconductor Surface

I. Hamada, T. Matsushita, R. Eguchi, 2016, Scientific Reports.

Direct observation of hydrogen-bond exchange within a single water dimer.

I. Hamada, Y. Morikawa, H. Okuyama, 2008, Physical review letters.

Role of molecular orbitals near the fermi level in the excitation of vibrational modes of a single molecule at a scanning tunneling microscope junction.

S. Yanagisawa, M. Kawai, M. Ohara, 2008, Physical review letters.

The relationship between formate adsorption energy and electronic properties: A first principles density functional theory study

Guichang Wang, J. Nakamura, Y. Morikawa, 2009 .

Oxygen vacancy promoting catalytic dehydration of formic acid on TiO2(110) by in situ scanning tunneling microscopic observation.

Masaki Aizawa, Y. Iwasawa, Y. Morikawa, 2005, The journal of physical chemistry. B.

Manipulable Metal Catalyst for Nanographene Synthesis.

I. Hamada, H. Sakaguchi, T. Okujima, 2020, Nano letters.

Ab initio study of surface structural changes during methanol synthesis over Zn/Cu(111)

K. Terakura, T. Fujitani, J. Nakamura, 1999 .

Density functional theory study of NO−H2O coadsorption

I. Hamada, K. Inagaki, Y. Morikawa, 2022, Physical Review Materials.

A density-functional study of the atomic structures and vibrational spectra of NO/Pt(1 1 1)

T. Ohno, S. Tsuneyuki, K. Fukutani, 2002 .

Density-Functional Analysis of Hydrogen on Pt(111): Electric Field, Solvent, and Coverage Effects

I. Hamada, Y. Morikawa, 2008 .

First-Principles Molecular Dynamics Analysis of Ligand-Free Suzuki-Miyaura Cross-Coupling in Water Solvent: Oxidative Addition Step.

K. Inagaki, S. Yanagisawa, A. Takeda, 2017, The journal of physical chemistry. B.

First-Principles Molecular Dynamics Analysis of Ligand-Free Suzuki–Miyaura Cross-Coupling in Water: Transmetalation and Reductive Elimination

K. Inagaki, S. Yanagisawa, Y. Morikawa, 2017 .

Experimental and computational studies on ruthenium(ii) bis-diimine complexes of N,N'-chelate ligands: the origin of changes in absorption spectra upon oxidation and reduction.

K. Inagaki, S. Yanagisawa, M. Kassim, 2019, Physical chemistry chemical physics : PCCP.

Cooperative H2 Activation at Ag Cluster/θ-Al2O3(110) Dual Perimeter Sites: A Density Functional Theory Study

M. Ehara, K. Shimizu, S. Namuangruk, 2014 .

Platinum-catalyzed hydrolysis etching of SiC in water: A density functional theory study

Y. Sano, K. Yamauchi, S. Matsuyama, 2018 .

Adsorption of CO2 on Terrace, Step, and Defect Sites on Pt Surfaces: A Combined TPD, XPS, and DFT Study

I. Hamada, A. Mohamed, K. Inagaki, 2021, The Journal of Physical Chemistry C.

Density functional theory study on a nitrogen-rich carbon nitride material C3N5 as photocatalyst for CO2 reduction to C1 and C2 products.

Yuelin Wang, Y. Morikawa, Likai Yan, 2020, Journal of colloid and interface science.

Electronic states and growth modes of Zn atoms deposited on Cu(111) studied by XPS, UPS and DFT

K. Inagaki, T. Koitaya, J. Yoshinobu, 2017 .

Diffusion mechanism of Na ion-polaron complex in potential cathode materials NaVOPO4 and VOPO4 for rechargeable sodium-ion batteries.

Y. Shibutani, Y. Morikawa, V. A. Dinh, 2018, Physical chemistry chemical physics : PCCP.

Development of Co Supported on Co−Al Spinel Catalysts from Exsolution of Amorphous Co−Al Oxides for Carbon Dioxide Reforming of Methane

A. Mohamed, N. Khairudin, S. Ichikawa, 2019, ChemCatChem.

Vibration-driven reaction of CO2 on Cu surfaces via Eley–Rideal-type mechanism

I. Hamada, T. Kondo, J. Nakamura, 2019, Nature chemistry.

State-selective dissociation of a single water molecule on an ultrathin MgO film.

S. Yanagisawa, M. Kawai, Y. Morikawa, 2010, Nature materials.

First-principles investigation on the segregation of Pd at LaFe1-xPdxO3-y surfaces

I. Hamada, K. Inagaki, S. Yanagisawa, 2013, Nanoscale Research Letters.

Density functional theory on the comparison of the Pd segregation behavior at LaO- and FeO2-terminated surfaces of LaFe1−xPdxO3−y

K. Inagaki, Y. Morikawa, Z. Tian, 2012 .

A density functional theory study of self-regenerating catalysts LaFe(1-x)M(x)O(3-y) (M = Pd, Rh, Pt).

I. Hamada, A. Yanase, Y. Morikawa, 2011, Journal of the American Chemical Society.

Dry Reforming of Methane on Cobalt Catalysts: DFT-Based Insights into Carbon Deposition Versus Removal

I. Hamada, A. Mohamed, K. Inagaki, 2021, The Journal of Physical Chemistry C.

Search for a Self-Regenerating Perovskite Catalyst Using ab Initio Thermodynamics Calculations

I. Hamada, S. Yanagisawa, Y. Morikawa, 2013 .

First-principles theoretical study of Alq3Al interfaces: origin of the interfacial dipole.

Kyuho Lee, S. Yanagisawa, Y. Morikawa, 2008, The Journal of chemical physics.

First-Principles Calculations of Metal/Oxide Interfaces: Effects of Interface Stoichiometry

M. Kohyama, Rui Yang, K. Okazaki, 2005 .

Density functional theory investigation of benzenethiol adsorption on Au(111).

T. Ohno, J. Nara, Y. Morikawa, 2004, The Journal of chemical physics.

Potential dependent changes in the structural and dynamical properties of 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide on graphite electrodes revealed by molecular dynamics simulations.

K. Fukui, A. Imanishi, K. Inagaki, 2018, Physical chemistry chemical physics : PCCP.

Theoretical investigation of the electronic structure of the Alq3/Mg interface

S. Yanagisawa, Y. Morikawa, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Search for a Self-Regenerating Perovskite Catalyst with Ab Initio Thermodynamics II: Cu-Doped Layered Perovskites with K2NiF4 Structure

I. Hamada, K. Inagaki, S. Yanagisawa, 2014, Catalysis Letters.

Dissociative adsorption of CO2 on flat, stepped, and kinked Cu surfaces.

K. Inagaki, Y. Morikawa, F. Muttaqien, 2014, The Journal of chemical physics.

Spatial electron distribution of CO adsorbed on Ni(100) and Ni(111) surfaces probed by metastable impact electron spectroscopy

M. Kawai, R. Kishi, Y. Morikawa, 2001 .

Theoretical study on adsorption and reaction of polymeric formic acid on the Cu(111) surface

I. Hamada, K. Inagaki, J. Yoshinobu, 2021, Physical Review Materials.

Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugs

Yoshitada Morikawa, David R. Bowler, Teruo Hirakawa, 2020, J. Comput. Chem..

Structural phase transition on Si(001) and Ge(001) surfaces

K. Terakura, T. Yamasaki, Y. Morikawa, 1995 .

First principles study of thermal decomposition of alkyl–gallium and tertiary butylarsine

M. Boero, K. Terakura, M. Ozeki, 2000 .

Coverage-dependent core level photoemission investigations of Na/Cu(111) and Na/Ni(111)

D. Heskett, H. Ishida, K. Tsuei, 1993 .

First-principles molecular dynamics study of alkali-metal adsorption on a Si(001) surface

K. Terakura, K. Kobayashi, Y. Morikawa, 1993 .

Alkali-Metal Adsorption on the Si(001) Surface

K. Terakura, Y. Morikawa, Kazuaki Kobayashi, 1993 .

CO adsorption and dissociation on Pt(111) and Ni(111) surfaces

J. Nørskov, B. Hammer, J. Mortensen, 1997 .

First-principles theoretical study of alkylthiolate adsorption on Au(1 1 1)

Tomohiro Hayashi, H. Nozoye, Y. Morikawa, 2002 .

An Application of the Car-Parrinello Method to a Study of Alkali-Metal Adsorbed Si(001) Surface

K. Terakura, Y. Morikawa, Kazuaki Kobayashi, 1992 .

Structural and vibrational properties of alkali-metal overlayers on metals

H. Ishida, Y. Morikawa, 1993 .

Hybridization-Induced Image Potential States with Large Effective Mass in Lead Phthalocyanine Overlayers on Graphene

I. Hamada, K. Inagaki, Y. Morikawa, 2022, The Journal of Physical Chemistry C.

Alkaline earth atom doping-induced changes in the electronic and magnetic properties of graphene: a density functional theory study

M. Chong, J. Ocon, Y. Morikawa, 2021, RSC advances.

Adsorption of CO2 on Graphene: A Combined TPD, XPS, and vdW-DF Study

H. Fukidome, M. Suemitsu, T. Koitaya, 2017 .

Ab initio molecular dynamics of solvation effects on reactivity at electrified interfaces

M. Mavrikakis, J. Herron, Y. Morikawa, 2016, Proceedings of the National Academy of Sciences.

Catalyzed chemical polishing of SiO2 glasses in pure water.

Y. Sano, K. Yamauchi, S. Matsuyama, 2019, The Review of scientific instruments.

Study on the mechanism of platinum-assisted hydrofluoric acid etching of SiC using density functional theory calculations

Y. Sano, K. Yamauchi, K. Inagaki, 2015 .

First-principles theoretical study on carrier doping effects induced by Zn vacancies in Mn-doped in ZnSnAs2

Y. Morikawa, H. Kizaki, 2019, Japanese Journal of Applied Physics.

Ionic-Liquid-Originated Carrier Trapping Dynamics at the Interface in Electric Double-Layer Organic FET Revealed by Operando Interfacial Analyses

K. Fukui, A. Imanishi, Y. Morikawa, 2020 .

Structure and binding energies of unsaturated hydrocarbons on Si(001) and Ge(001).

Kwang S. Kim, Jun-Hyung Cho, Y. Morikawa, 2006, The Journal of chemical physics.

A first-principles investigation on the mechanism of nitrogen dissolution in the Na flux method

Y. Mori, S. Yanagisawa, M. Yoshimura, 2007 .

Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals

Yoshitada Morikawa, Kyuho Lee, Jaejun Yu, 2007 .

Angle-resolved photoemission from epitaxial Nd2-xCexCu O4 (001) films

Y. Aiura, H. Kato, K. Iijima, 1990 .

Platinum single-atom adsorption on graphene: a density functional theory study

Suprijadi, I. Hamada, Y. Morikawa, 2019, Nanoscale advances.

Jahn-Teller distortion and magnetic structures in LaMnO3

N. Hamada, K. Terakura, Y. Morikawa, 1998 .

Atomic and molecular adsorption on single platinum atom at the graphene edge: A density functional theory study.

Suprijadi, I. Hamada, Y. Morikawa, 2020, The Journal of chemical physics.

Density-functional theoretical study of fluorination effect on organic/metal interfaces

I. Hamada, S. Yanagisawa, K. Toyoda, 2011 .

First-principles theoretical study of organic/metal interfaces: Vacuum level shifts and interface dipoles

I. Hamada, Kyuho Lee, S. Yanagisawa, 2012 .

Density functional theoretical study of pentacene/noble metal interfaces with van der Waals corrections: vacuum level shifts and electronic structures.

I. Hamada, Kyuho Lee, S. Yanagisawa, 2010, The Journal of chemical physics.

Theoretical Study on Electronic Structure of Bathocuproine: Renormalization of the Band Gap in the Crystalline State and the Large Exciton Binding Energy

S. Yanagisawa, Y. Morikawa, S. Hatada, 2016 .

Individual Atomic Imaging of Multiple Dopant Sites in As-Doped Si Using Spectro-Photoelectron Holography.

T. Matsushita, H. Wakabayashi, K. Kakushima, 2017, Nano letters.

First-principles Analysis of Core Level Shifts

Y. Morikawa, 2008 .

Structural Analysis of Carbon-Added Na–Ga Melts in Na Flux GaN Growth by First-Principles Calculation

Y. Mori, M. Maruyama, M. Yoshimura, 2013 .

Image potential states from the van der Waals density functional.

I. Hamada, Y. Morikawa, Y. Hamamoto, 2017, The Journal of chemical physics.

The charged interface between Pt and water: First principles molecular dynamics simulations

I. Hamada, O. Sugino, I. Yagi, 2012 .

Structure of the water/platinum interface--a first principles simulation under bias potential.

Yoshitada Morikawa, Yasuharu Okamoto, Tamio Ikeshoji, 2008, Physical chemistry chemical physics : PCCP.

First-principles molecular dynamics simulation of biased electrode/solution interface

Yoshitada Morikawa, Yasuharu Okamoto, Tamio Ikeshoji, 2007 .

Correlation between mobility and the hydrogen bonding network of water at an electrified-graphite electrode using molecular dynamics simulation.

K. Fukui, K. Inagaki, Y. Morikawa, 2020, Physical chemistry chemical physics : PCCP.

Local electronic properties at organic-metal interfaces: thiophene derivatives on Pt(111).

Hirofumi Sato, S. Yanagisawa, T. Sugawara, 2012, Physical chemistry chemical physics : PCCP.

Density Functional Calculations of N2Adsorption and Dissociation on a Ru(0001) Surface

J. Nørskov, B. Hammer, J. Mortensen, 1997 .

Electronic structure of the 4 × 4 silicene monolayer on semi-infinite Ag(111)

E. Minamitani, R. Arafune, Y. Morikawa, 2015 .

A Comparison of N2 and CO Adsorption on Ru(001)

J. Nørskov, B. Hammer, J. Mortensen, 1997 .

Symmetric hydrogen bond in a water-hydroxyl complex on Cu(110)

I. Hamada, Y. Morikawa, H. Okuyama, 2010 .

Tunneling dynamics of a hydroxyl group adsorbed on Cu(110)

I. Hamada, Y. Morikawa, H. Okuyama, 2009 .

Electrode Dynamics from First Principles

I. Hamada, O. Sugino, Y. Okamoto, 2008 .

Theoretical study of hydrogenation process of formate on clean and Zn deposited Cu(1 1 1) surfaces

Kiyoyuki Terakura, Yoshitada Morikawa, K. Terakura, 2001 .

Adsorption of toxic gases on borophene: surface deformation links to chemisorptions

I. Hamada, Y. Morikawa, V. A. Dinh, 2021, RSC advances.

First-principles study of the pentacene/Cu(1 1 1) interface: Adsorption states and vacuum level shifts

I. Hamada, Kyuho Lee, S. Yanagisawa, 2009 .

Oxidative etching mechanism of the diamond (100) surface

I. Hamada, M. Geshi, K. Inagaki, 2021 .

61.2: Invited Paper: Structure and Electronic Structure of Organic Interfaces

T. Nishi, K. Kanai, K. Seki, 2005 .

Oxygen vacancy induced insulator-metal transition in LaNiO3 thin films

Y. Morikawa, C. T. Bach, H. D. Nguyen, 2020 .

Activation free energies for formation and dissociation of N–N, C–C, and C–H bonds in a Na–Ga melt

Y. Mori, Masayuki Imanishi, M. Yoshimura, 2021 .

Mechanism for enhanced single-crystal GaN growth in the C-assisted Na-flux method

Y. Mori, M. Maruyama, M. Yoshimura, 2015 .

A first-principles study on nitrogen solubility in Na flux toward theoretical search for a novel flux for bulk GaN growth

Y. Mori, S. Yanagisawa, M. Yoshimura, 2007 .

Theoretical study of n-alkane adsorption on metal surfaces

K. Seki, H. Ishii, Y. Morikawa, 2004 .

Diffusion of excessively adsorbed hydrogen atoms on hydrogen terminated Si(100)(2×1) surface

H. Ohmi, H. Kakiuchi, K. Yasutake, 2021, AIP Advances.

Stability and electronic structure of Ge(1 0 5)1 × 2: a first-principles theoretical study

Kiyoyuki Terakura, Yoshitada Morikawa, T. Hashimoto, 2005 .

First-principles study of polar, nonpolar, and semipolar GaN surfaces during oxide vapor phase epitaxy growth

Y. Kangawa, K. Kakimoto, T. Akiyama, 2018, Japanese Journal of Applied Physics.

Multi-scale Simulation of Equilibrium Step Fluctuations on Cu(111) Surfaces

I. Hamada, K. Inagaki, Y. Morikawa, 2021, ACS omega.

Ab Initio Molecular Dynamics Study of Al, Ga and Si Adsorption on the Si(001) Surface

K. Terakura, T. Yamasaki, Y. Morikawa, 1993 .

Theoretical investigation of the band structure of picene single crystals within the GW approximation

S. Yanagisawa, Y. Morikawa, A. Schindlmayr, 2014 .

First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces

M. Oue, K. Yamauchi, K. Inagaki, 2013, Nanoscale Research Letters.

First-principles molecular dynamics study of acetylene adsorption on the Si(001) surface

H. Nakatsuji, Y. Imamura, T. Yamasaki, 1995 .

Hybrid image potential states in molecular overlayers on graphene

I. Hamada, K. Inagaki, Y. Morikawa, 2017 .

Electronic structures of Au onTiO2(110)by first-principles calculations

Koji Kariya-city Aichi-pref. Tanaka, M. Kohyama, K. Okazaki, 2004 .

Adsorption state of dimethyl disulfide on Au(111): Evidence for adsorption as thiolate at the bridge site

Tomohiro Hayashi, H. Nozoye, Y. Morikawa, 2001 .

Electron emission spectra of thermal collisions of He metastable atoms with Au(111) and Pt(111) surfaces: Evidence for Penning ionization

Y. Morikawa, S. Masuda, M. Aoki, 2009 .

Atomic Imaging of Interface Defects in an Insulating Film on Diamond.

Y. Uraoka, T. Matsushita, J. Mizuno, 2023, Nano letters.

Enhanced CO tolerance of Pt clusters supported on graphene with lattice vacancies

I. Hamada, T. Bligaard, F. Abild‐Pedersen, 2020 .

Theoretical study of vacuum level shift at the C6H6/Al(111) interface

I. Hamada, S. Yanagisawa, Y. Morikawa, 2008 .

Zno with Engineered Surface Defects as A Competent Photocatalyst for Co2 Photoreduction into Valuable Fuels Under Simulated Solar Light Irradiation

A. Mohamed, Khozema Ahmed Ali, Y. Morikawa, 2023, SSRN Electronic Journal.

First-Principles Analysis of Dissociative Absorption of HF Molecule at SiC Surface Step Edge

K. Yamauchi, K. Inagaki, Y. Morikawa, 2012 .

Density functional theoretical calculations for a Co2/gamma-Al2O3 model catalyst: structures of the gamma-Al2O3 bulk and surface and attachment sites for Co2+ ions.

Y. Iwasawa, Y. Morikawa, Takehiko Sasaki, 2006, Journal of Physical Chemistry B.

Density Functional Theory Investigations of Ferrocene-Terminated Self-Assembled Monolayers: Electronic State Changes Induced by Electric Dipole Field of Coadsorbed Species

K. Fukui, A. Imanishi, K. Inagaki, 2016 .

First-principles study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts

I. Hamada, Kyuho Lee, S. Yanagisawa, 2009 .

Adsorption structure of benzenethiol on Au(111): first-principles study

T. Ohno, J. Nara, Y. Morikawa, 2004 .

CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies.

I. Hamada, K. Inagaki, T. Koitaya, 2017, The Journal of chemical physics.

Two-dimensional self-assembled structures of adenine molecules: modeling and simulation

S. Tsuzuki, W. Shinoda, M. Mikami, 2004 .

Intermolecular interaction as the origin of red shifts in absorption spectra of zinc-phthalocyanine from first-principles.

S. Yanagida, Kazuhiro Manseki, K. Inagaki, 2013, The journal of physical chemistry. A.

Adsorption of hydrogen fluoride on SiC surfaces: A density functional theory study

Y. Sano, K. Yamauchi, K. Inagaki, 2012 .

First-Principles Study of Reaction Process of SiC and HF Molecules in Catalyst-Referred Etching

Y. Sano, K. Yamauchi, K. Inagaki, 2012 .

Termination dependence of surface stacking at 4 H -SiC ( 0001 ) − 1 × 1 : Density functional theory calculations

Y. Sano, K. Yamauchi, H. Hara, 2009 .

Adsorption states of methylthiolate on the Au(111) surface

A. Nagoya, Y. Morikawa, 2007, Journal of physics. Condensed matter : an Institute of Physics journal.

First-principles molecular dynamics study of CO adsorption on / the Si 001 surface

H. Nakatsuji, T. Kubo, Y. Imamura, 1998 .

Adsorption geometries and vibrational modes ofC2H2on the Si(001) surface

Y. Morikawa, 2001 .

Mechanistic insight into oxygen vacancy migration in SrFeO3-δ from DFT+U simulations.

I. Hamada, Y. Morikawa, M. Alaydrus, 2021, Physical chemistry chemical physics : PCCP.

Chemisorption-induced gap states at organic-metal interfaces: benzenethiol and benzeneselenol on metal surfaces.

Y. Morikawa, S. Masuda, M. Aoki, 2012, Physical chemistry chemical physics : PCCP.

Chemisorption-induced gap state at organic-metal interface: Benzenethiol on Pt(111).

Y. Morikawa, S. Masuda, T. Kamada, 2010, Physical chemistry chemical physics : PCCP.

The quantitative study of methane adsorption on the Pt(997) step surface as the initial process for reforming reactions

I. Hamada, J. Yoshinobu, Y. Morikawa, 2023, Surface Science.

Origin of Unexpected Ir3+ in a Superconducting Candidate Sr2IrO4 System Analyzed by Photoelectron Holography.

T. Matsushita, J. Akimitsu, H. Daimon, 2023, Inorganic chemistry.

Role of Intermolecular Interactions in the Catalytic Reaction of Formic Acid on Cu(111).

I. Hamada, K. Inagaki, J. Yoshinobu, 2021, Small.

Van der Waals density functional study of formic acid adsorption and decomposition on Cu(111).

I. Hamada, K. Inagaki, Y. Morikawa, 2019, The Journal of chemical physics.

Analysis of atomic structure, magnetic ordering, and oxygen diffusion in oxygen deficient Sr3Fe2O7−δ perovskite: Toward rational catalysts design

Y. Morikawa, H. Kizaki, T. Ota, 2022, Physical Review Materials.

Structures of Pt clusters on graphene by first-principles calculations

M. Kohyama, Y. Morikawa, K. Okazaki-Maeda, 2010 .

Simulation of growth process of Pt-particles - first-principles calculations

S. Hyodo, T. Akita, Shunsuke Yamakawa, 2008 .

A density-functional theory study of water on clean and hydrogen preadsorbed Rh(111) surfaces.

I. Hamada, Y. Morikawa, 2011, The Journal of chemical physics.

Water Monomer and Dimer on Cu(110) Studied Using a Scanning Tunneling Microscope

I. Hamada, Y. Morikawa, H. Okuyama, 2008 .

Chemisorption and thermal decomposition of benzene on Pd(110): High-resolution electron energy loss spectroscopy, low-energy electron diffraction, and thermal desorption studies

Y. Morikawa, M. Nishijima, T. Sekitani, 1991 .

Direct Observation of Hydrogen-Bond Exchange in Small Water Clusters

I. Hamada, Y. Morikawa, H. Okuyama, 2009 .

Controlling Photoinduced H2 Release from Freestanding Borophane Sheets Under UV Irradiation by Tuning B–H Bonds

I. Hamada, T. Kondo, Satoshi Tominaka, 2023, Advanced Materials Interfaces.

Polymorphs of Titanium Dioxide: An Assessment of the Variants of Projector Augmented Wave Potential of Titanium on Their Geometric and Dielectric Properties

R. Asahi, Y. Morikawa, V. A. Dinh, 2023, ACS omega.

In-Situ STM Observation and DFT Calculation of the Decomposition Process of Formic Acid on TiO2(110)

Masaki Aizawa, Y. Iwasawa, Y. Morikawa, 2004, Microscopy and Microanalysis.

CO chemisorption at metal surfaces and overlayers.

Morikawa, J. Nørskov, B. Hammer, 1996, Physical review letters.

Adsorption of n -butane on Cu(100), Cu(111), Au(111), and Pt(111): Van der Waals density-functional study

D. Langreth, Kyuho Lee, Y. Morikawa, 2010 .

Study of Interaction between Au and TiO2(110) at Low Coverage

M. Kohyama, Shingo Tanaka, Y. Maeda, 2006 .

Chemical stability of hydrogen boride nanosheets in water

I. Hamada, T. Kondo, H. Hosono, 2021, Communications Materials.

Atomic and Electronic Structures of Pt Supported on Graphene

M. Kohyama, Shingo Tanaka, Y. Morikawa, 2005 .

Enhancement of CO2 adsorption on oxygen-functionalized epitaxial graphene surface under near-ambient conditions.

H. Fukidome, M. Suemitsu, T. Someya, 2018, Physical chemistry chemical physics : PCCP.

CO chemisorption at metal surfaces and overlayers.

J. Nørskov, B. Hammer, Y. Morikawa, 1996, Physical review letters.

Why is formate synthesis insensitive to copper surface structures?

Guichang Wang, J. Nakamura, Taketoshi Matsumoto, 2006, The journal of physical chemistry. B.

Trends in the First-principles Theoretical Study on Catalysis

Y. Morikawa, 2006 .

Origin of strange vibrational spectra of NO on Pt(111) surface

T. Ohno, S. Tsuneyuki, K. Fukutani, 2007 .

Microscopic properties of ionic liquid/organic semiconductor interfaces revealed by molecular dynamics simulations.

K. Fukui, A. Imanishi, K. Inagaki, 2018, Physical chemistry chemical physics : PCCP.

Diffusion mechanism of Na ion-polaron complex in potential cathode materials NaVOPO4 and VOPO4 for rechargeable sodium-ion batteries.

Y. Shibutani, Y. Morikawa, V. A. Dinh, 2018, Physical Chemistry, Chemical Physics - PCCP.

Insight into Trimeric Formation of Nitric Oxide on Cu(111): A Density Functional Theory Study

I. Hamada, K. Inagaki, Y. Morikawa, 2020 .

Desorption dynamics of CO2 from formate decomposition on Cu(111).

I. Hamada, K. Inagaki, Y. Morikawa, 2017, Chemical communications.

Self-consistent van der Waals density functional study of benzene adsorption on Si(100)

I. Hamada, K. Inagaki, Y. Morikawa, 2016, 1602.08555.

First-principles study of ZnSnAs2-based dilute magnetic semiconductors

Y. Morikawa, H. Kizaki, 2018 .

A density functional theory study of self-regenerating catalysts LaFe(1-x)M(x)O(3-y) (M = Pd, Rh, Pt).

I. Hamada, A. Yanase, Y. Morikawa, 2011, Journal of the American Chemical Society.

Interaction of water with a metal surface: Importance of van der Waals forces

I. Hamada, Kyuho Lee, Y. Morikawa, 2010 .

Acetylcholine Conformational Flexibility and Its Neutral Hydrolysis in Aqueous Solution

H. Dipojono, M. Mudasir, Y. Morikawa, 2023, ChemistrySelect.

Vibration-driven reaction of CO2 on Cu surfaces via Eley–Rideal-type mechanism

I. Hamada, T. Kondo, J. Nakamura, 2019, Nature chemistry.