Refereed papers
査読付き論文
2024
Marianne Ancheta Palmero, Koji Shimizu, Hiroshi Nakanishi, Satoshi Watanabe, Allan Abraham Bustria Padama
The tendency of V segregation in Pd/V(110) and Pd/V(100) surfaces induced by H adsorption
Physica Scripta (2024)
https://doi.org/10.1088/1402-4896/ad3f88
Ryan Lacdao Arevalo, Hiroshi Nakanishi*
A First Principles Mechanistic Study of Higher Alcohol Synthesis from Syngas on a Stepped Rhodium Surface.
Catalysis Letters (2024)
https://doi.org/10.1007/s10562-023-04565-y
Takahiro Ozawa∗, Hiroshi Nakanishi, Koichi Kato, Ryota Shimizu, Taro Hitosugi, Katsuyuki Fukutani
Observation of resonant tunneling of proton from octahedral to tetrahedral site in Pd
Journal of Physics and Chemistry of Solids,185 (2024)111741.
https://doi.org/10.1016/j.jpcs.2023.111741
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2022
Ryotaro Aso*, Hajime Hojo, Yoshio Takahashi, Tetsuya Akashi, Yoshihiro Midoh,Fumiaki Ichihashi, Hiroshi Nakajima, Takehiro Tamaoka, Kunio Yubuta, Hiroshi Nakanishi, Hisahiro Einaga, Toshiaki Tanigaki, Hiroyuki Shinada, Yasukazu Murakami*
Direct identification of the charge state in a single platinum nanoparticle on titanium oxide
Science 378 (2022) 202–206.
https://doi.org/10.1126/science.abq5868
Susan Meñez Aspera, Elvis Flaviano Arguelles, Ryan Lacdao Arevalo, Bhume Chantaramolee, Hiroshi Nakanishi*, Hideaki Kasai
Surface facet dependence of Ru and Ru-based alloy oxidation resistance using ab initio thermodynamics calculation
Surface Science 724 (2022) 122129(10pages).
https://doi.org/10.1016/j.susc.2022.122129
Nishida, Yoshihide, Sato, Katsutoshi, Chaudhari Chandan, Yamada Hiroshi, Toriyama Takaaki, Yamamoto Tomokazu, Matsumura Syo, Aspera Susan, Nakanishi Hiroshi, Haneda Masaaki, Nagaoka Katsutoshi*
Nitrile hydrogenation to secondary amines under ambient conditions over palladium-platinum random alloy nanoparticles
Catalysis Science & Technology (2022)
https://doi.org/10.1039/D1CY02302K
Dongshuang Wu*, Kohei Kusada*, Susan Meñez Aspera, Hiroshi Nakanishi, Yanna Chen, Okkyun Seo, Chulho Song, Jaemyung Kim, Satoshi Hiroi, Tomokazu Yamamoto, Syo Matsumura, Yusuke Nanbam Michihisa Koyama, Naoki Ogiwara, Shogo Kawaguchi, Yoshiki Kubota, Hiroshi Kitagawa*
Phase control of solid-solution nanoparticles beyond the phase diagram for enhanced catalytic properties
ACS Materials Au 2, 2,(2021) 110–116.
https://doi.org/10.1021/acsmaterialsau.1c00048
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2021
Novianto Nur Hidayat, Mohammad Kemal Agusta, Hermawan Kresno Dipojono, Hiroshi Nakanishi, Hideaki Kasai
Coadsorption of Hydrazine and OH on the Ni(211) Surface: A DFT Study
Surface Science 714 (2021) 121931 - 121931
https://doi.org/10.1016/j.susc.2021.121931
Daiya Kobayashi, Hirokazu Kobayashi,Kohei Kusada,Tomokazu Yamamoto, Takaaki Toriyama, Syo Matsumura, Shogo Kawaguchi, Yoshiki Kubota, Masaaki Haneda, Susan Me˜nez Aspera, Hiroshi Nakanishi, Shigebumi Araia and Hiroshi Kitagawa
Boosting reverse water-gas shift reaction activity of Pt nanoparticles through light doping of W
J. Mater. Chem. A (2021) 5pages.
https://doi.org/10.1039/d1ta03480d
Susan Menez Aspera, Ryan Lacdao Arevalo, Bhume Chantaramolee, Hiroshi Nakanishi, Hideaki Kasai
PdRuIr Ternary alloy as an Effective NO Reduction Catalyst: Insights from First Principles Calculation
Phys. Chem. Chem. Phys. 23 (2021) 7153-7163.
https://doi.org/10.1039/D0CP06453J
Junko Matsuda, Tomokazu Yamamoto, Shinji Takahashi, Hiroshi Nakanishi, Kazunari Sasaki, Syo Matsumura
In Situ TEM Investigation of Structural Changes in Ni Nanoparticle Catalysts under Gas Atmospheres: Implications for Catalyst Degradation
ACS Applied Nano Materials, Vol.4 No.2 (2021) 2175–2182.
https://doi.org/10.1021/acsanm.1c00006
Ryo Kishida, Shosuke Ito, Manickam Sugumaran, Ryan Lacdao Arevalo, Hiroshi Nakanishi, Hideaki Kasai
Density Functional Theory-Based Calculation Shed New Light on the Bizarre Addition of Cysteine Thiol to Dopaquinone
Int. J.Mol. Sci.22 (2021) 1373 (15 pages).
http://dx.doi.org/10.3390/ijms22031373
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2020
Susan Meñez Aspera, Ryan Lacdao Arevalo, Hiroshi Nakanishi, Hideaki Kasai, Shinobu Sekine, Hiroyuki Kawai
Vanadium doped polyoxometalate: Induced active sites and increased hydrogen adsorption
J. Phys.: Condens. Matter 32, No.19 (2020) 195001(9pages)
http://dx.doi.org/10.1088/1361-648X/ab6cc3
Ryan Lacdao Arevalo, Susan Meñez Aspera, Roland Emerito Otadoy, Hiroshi Nakanishi, Hideaki Kasai
Adsorption of CH4 and SO2 on Unsupported Pd1−xMxO(101) Surface
Catal. Lett. 150 (2020)1870-1877
http://dx.doi.org/10.1007/s10562-019-03093-y
Takuo Wakisaka, Kohei Kusada, Dongshuang Wu, Tomokazu Yamamoto, Takaaki Toriyama, Syo Matsumura, Hiroshi Akiba, Osamu Yamamuro, Kazutaka Ikeda, Toshiya Otomo, Natalia Palina, Yanna Chen, Loku S. R. Kumara, Chulho Song, Osami Sakata, Wei Xie, Michihisa Koyama, Yoshiki Kubota, Shogo Kawaguchi, Ryan L. Arevalo, Susan M. Aspera, Elvis F. Arguelles, Hiroshi Nakanishi, Hiroshi Kitagawa*
Rational Synthesis for a Noble Metal Carbide
J. Am. Chem. Soc. 142 (2020) 1247−1253.
http://dx.doi.org/10.1021/jacs.9b09219
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2019
Bhume Chantaramolee, Susan Meñez Aspera, Ryan Lacdao Arevalo, Elvis Flaviano Arguelles, Ryo Kishida, Allan Abraham Bustria Padama, Hideaki Kasai, Hiroshi Nakanishi
Surface compositions of Pt-Pd/Pd(111) alloys in the presence of O and OH during oxygen reduction reaction: A first-principles study
J. Phys. Soc. Jpn.88 (2019)044802 (8 pages)
http://dx.doi.org/10.7566/JPSJ.88.044802
Ryan Lacdao Arevalo, Susan Meñez Aspera, Hiroshi Nakanishi*
Sulfation of a PdO(101) methane oxidation catalyst: mechanism revealed by first principles calculations
Catal. Sci. Technol.9 (2019) 232-240
http://dx.doi.org/10.1039/C8CY02096E
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2018
Allan Abraham B. Padama*, Diño Wilson Agerico, Motoi Wada, Katsuyoshi Tsumori, Masashi Kisaki,Hideaki Kasai, Hiroshi Nakanishi,Mamiko Sasao, Nozomi Tanaka
Adsorption of H on Cs/W(110): Impact of H on the Stability of Cs on the Surface
e-J. Surf. Sci. Nanotechnol, 16, 391-395 (2018).
http://dx.doi.org/10.1380/ejssnt.2018.391
Ryan Lacdao Arevalo, Susan Meñez Aspera, Hiroshi Nakanishi*, Hideaki Kasai
DFT-guided design of catalysts for methane activation
AIP Conf. Proc., 2040,020004(4 Pages) (2018)
http://dx.doi.org/10.1063/1.5079046
Ryan Lacdao Arevalo, Susan Menez Aspera, Hiroshi Nakanishi, Hideaki Kasai, Susumu Yamaguchi, Koichiro Asazawa
Adsorption of carbohydrazide on Au(111) and Au3Ni(111) surfaces
Catal. Lett. Vol.148, No.4, 1073-1079 (2018)
http://dx.doi.org/10.1007/s10562-018-2327-2
Susan Meñez Aspera, Ryan Lacdao Arevalo, Hiroshi Nakanishi, Hideaki Kasai
First principles study of surface stability and segregation of PdRuRh ternary metal alloy system
Surf. Sci. Vol.671, 51-59 (2018)
http://dx.doi.org/10.1016/j.susc.2018.02.005
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2017
Ryan Lacdao Arevalo, Susan Meñez Aspera, Mary Clare Sison Escaño, Hiroshi Nakanishi, Hideaki Kasai
Tuning methane decomposition on stepped Ni surface: The role of subsurface atoms in catalyst design
Sci. Rep. Vol.7 13963 (7 pages) (2017)
http://dx.doi.org/10.1038/s41598-017-14050-3
Keigo Kobayashi, Hirokazu Kobayashi, Mitsuhiko Maesato, Mikihiro Hayashi, Tomokazu Yamamoto, Satoru Yoshioka, Syo Matsumura, Takeharu Sugiyama, Shogo Kawaguchi, Yoshiki Kubota, Hiroshi Nakanishi, Hiroshi Kitagawa
Discovery of Hexagonal Structured Pd–B Nanocrystals
Angew. Chem. Int. Ed., Vol. 56, No.23, 6578–6582 (2017)
http://dx.doi.org/10.1002/anie.201703209
Ryan Lacdao Arevalo, Susan Menez Aspera, Mary Clare Sison Escano, Hiroshi Nakanishi*, Hideaki Kasai
Ru-catalyzed steam methane reforming: Mechanistic study from first principles calculations
ACS Omega, Vol.2, No.4,1295−1301 (2017)
http://dx.doi.org/10.1021/acsomega.6b00462
Bhume Chantaramolee, Allan Abraham B. Padama, Hiroshi Nakanishi, Hideaki Kasai, Shohei Ogura, Katsuyuki Fukutani
CO adsorption on (110)-(1×2) missing-row reconstructed surfaces of Pd, Au, and Pd3Au: Electronic structures and vibrational frequencies
J. Phys. Soc. Jpn. Vol.86, 044712(9 pages) (2017)
http://dx.doi.org/10.7566/JPSJ.86.044712
Ryan Lacdao Arevalo, Susan Menez Aspera, Mary Clare Sison Escano, Hiroshi Nakanishi, Hideaki Kasai
First principles study of methane decomposition on B5 step-edge type site of Ru surface
J. Phys.: Condens. Matter, Vol.29, No.18, 184001(7pages) (2017)
http://dx.doi.org/10.1088/1361-648X/aa66c7
Susan Menez Aspera, Ryan Lacdao Arevalo, Koji Shimizu, Ryo Kishida, Kazuki Kojima, Nguyen Hoang Linh, Hiroshi Nakanishi, Hideaki Kasai
First Principles Calculation of Transition Metal Binary Alloys: Phase Stability and Surface Effects
J. Electron. Mater., Vol.46, No.6 3776–3783 (2017)
http://dx.doi.org/10.1007/s11664-017-5402-3
Ryo Kishida, Hideaki Kasai, Susan Menez Aspera, Ryan Lacdao Arevalo, Hiroshi Nakanishi
Branching Reaction in Melanogenesis: The Effect of Intramolecular Cyclization on Thiol Binding
J. Electron. Mater., Vol.46, No.6,3784–3788 (2017)
http://dx.doi.org/10.1007/s11664-017-5299-x
Ryo Kishida, Hideaki Kasai, Susan Menez Aspera, Ryan Lacdao Arevalo, Hiroshi Nakanishi
Density Functional Theory-Based First Principles Calculations of Rhododendrol-Quinone Reactions: Preference to Thiol Binding over Cyclization
J. Phys. Soc. Jpn. Vol.86, 24804(5pages) (2017)
http://dx.doi.org/10.7566/JPSJ.86.024804
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2016
Hiroshi Nakanishi
"Quantum States of the Hydrogen Isotope in Solid Materials and on Their Surfaces"
"固体内及び固体表面上における水素同位体の量子状態"
J. Comput. Chem. Jpn., Vol. 15, No. 5, pp.124–135 (2016)
https://doi.org/10.2477/jccj.2016-0023
Allan Abraham B. Padama, R. A. Villaos RA, Jason R. Albia, Wilson Ageric Tan Diño, Hiroshi Nakanishi, Hideak Kasai
"CO-induced Pd segregation and the effect of subsurface Pd on CO adsorption on CuPd surfaces."
2016 J. Phys. Cond. Matt.29, 25005(8pages)(2016)
http://dx.doi.org/10.1088/0953-8984/29/2/025005
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2015
Allan Abraham B. Padama, Hiroshi Nakanishi, Hideaki Kasai
“Quantum states of hydrogen atom on Pd(110) surface”
Applied Surface Science, Vol. 359, (2015) 687–691
Ryo Tsuchitani, Hiroshi Nakanishi, Hideyuki Shishitani, Susumu Yamaguchi, Hirohisa Tanaka, Hideaki Kasai,
“A theoretical study of how C2-substitution affects alkaline stability in imidazolium-based anion exchange membranes”
Solid State Ionics, Vol. 278, No.1, pp. 5–10 (2015)
Elvis F. Arguelles, Shuichi Amino, Susan Aspera, Hiroshi Nakanishi, Hideaki Kasai
“Surface Magnetism in αPbO Induced by Fe Interstitials”
Journal of the Physical Society of Japan 84, 045002(2 pages) (2015)
Elvis Arguelles, Shuichi Amino, Susan Aspera, Hiroshi Nakanishi, Hideaki Kasai
“Interstitial impurity-induced magnetism in α-PbO surface”
Journal of Physics: Condensed Matter, Vol. 27(1), 016002(7 pages) (2015)
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2014
Ryan Lacdao Arevalo, Kohei Oka, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Naoki Shimazaki,
“Oxidation of NO on Pt/M (M = Pt, Co, Fe, Mn): a first-principles density functional theory study”
Catalysis Science & Technology, Vol.5 pp. 882-886 (2014)
Ferensa Oemry, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Kaoru Sato
“Atomic Oxygen Adsorption on Core-shell Ni@Pt and Pure Pt Nanoparticles”
Journal of the Vacuum Society of Japan, Vol. 57(7), pp.277-283(2014)
Allan Abraham B. Padama, Bhume Chantaramolee, Hiroshi Nakanishi, Hideaki Kasai
“Hydrogen atom absorption in hydrogen-covered Pd(110) (1x2) missing-row surface”
International Journal of Hydrogen Energy, Vol.39(12), pp.6598-6603 (2014)
Ferensa Oemry, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Kaoru Sato
“Adsorbed oxygen-induced cluster reconstruction on core-shell Ni@Pt and Pt clusters”
Journal of Alloys and Compounds, Vol.594(1), pp.93-101 (2014)
Tien Quang Nguyen, Mary Clare Sison Escaño, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Kaoru Sato
“DFT+U study on the oxygen adsorption and dissociation on CeO2-supported platinum cluster”
Applied Surface Science, Vol 288, pp. 244-250 (2014)
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2013
Ryo Tsuchitani, Hiroshi Nakanishi, Hideaki Kasai
“An Initial Degradation Reaction before Ring-Opening in Imidazolium-Based Anion Exchange Membranes: A DFT Study”
e-Journal of Surface Science and Nanotechnology, Vol.11, pp.138-141 (2013)
Abdulla Sarhan, Ong Yi Ching, Hiroshi Nakanishi, Katsuyuki Fukutani, Hideaki Kasai
"Dihydride Structures of Deuterium on Germanium (001) Surfaces"
Journal of Applied Physics, Vol. 113, 023703(7pages) (2013).
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2012
Abdulla Sarhan, Mamoru Sakaue, Hiroshi Nakanishi, Hideaki Kasai
"Electron-Vibron Interaction Effects on Scanning Tunneling Microscopy Current through Melamine Adsorbed on Cu(100)"
Journal of the Physical Society of Japan, Vol. 81, 104711(7pages) (2012).
Mamoru Sakaue, Wahyu Tri Cahyanto, Triati Dewi Kencana Wungu, Susan Meñez Aspera, Kuniyuki Miwa, Hirofumi Kishi, Shinichi Kunikata, Hiroshi Nakanishi, Wilson Agerico Tan Diño, Hideaki Kasai, Tatsumi Ishihara,
"First-principles study on oxygen ion conduction of La2GeO5 based on the density functional theory"
Journal of Physics: Conference Series, Vol. 379, 012012 (8pages) (2012).
Yuji Kunisada, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai
"Ferromagnetic Nanostructures of Oxygen on Ag(111)"
Journal of Physics: Conference Series, Vol. 379, 012013 (6pages) (2012).
Hirofumi Kishi, Ferensa Oemry, Tien Quang Nguyen, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi
"Study of NO Oxidation Reaction over the Pt Cluster Supported on γ-Al2O3(111) surface"
Current Applied Physics 12 (2012) S110-S114
Hirofumi Kishi, Masanori Tani, Mamoru Sakaue, Hiroshi Nakanishi, Hideaki Kasai
"First Principles Calculations of 1-methoxymethyl-1-methylpyrrolidinium and 1-ethyl-3-methylimidazolium Adsorption on Graphene"
Journal of the Vacuum Society of Japan, Vol. 55, pp. 198 -203,(2012).
Yuji Kunisada, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai
"First Principles Study of Ortho-Para H2 Conversion on the O2(0.25 ML)/Ag(111) System"
Current Applied Physics, 12, S115-S118, (2012)
Ferensa Oemry, Allan Abraham B. Padama, Hirofumi Kishi, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Kaoru Sato
"Effects of Cluster Size on Platinum-Oxygen Bonds Formation in Small Platinum Clusters"
Japanese Journal of Applied Physics, Vol. 51, 035002(8pages) (2012).
國貞雄治, 中西寛, Wilson Agerico Diño, 笠井秀明
"Ag(111)表面上の水素分子のオルソ・パラ転換におけるファン・デル・ワールス力の影響"
Journal of the Vacuum Society of Japan, Vol. 55, pp.115 -117 (2012).
Abdulla Sarhan, Hiroshi Nakanishi, Wilson Agerico Diño, Hirofumi Kishi, Hideaki Kasai
"Oxygen vacancy effects on electronic structure of Pt/NiO/Pt capacitor-like system"
Surface Science, Vol. 606, pp.239-246 (2012).
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2011
Mohammad Kemal Agusta, Wilson Agerico Diño, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
"Theoretical study of hydrazine adsorption on Pt(111): Anti or cis?"
Surface Science, Vol. 605, pp. 1347-1353 (2011).
Wahyu Tri Cahyanto, Ferensa Oemry, Allan Abraham B. Padama, Mamoru Sakaue, Rachid Belkada, Susan M. Aspera, Masahiro Chikaishi, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
"Favorable pathway of O2 dissociative adsorption on a single platinum adatom coated on gamma- alumina (111) surface: a density functional theory study"
Japanese Journal of Applied Physics, Vol. 50, 105602 (5pages) (2011).
Hirofumi Kishi, Abdulla Ali Abdulla Sarhan, Mamoru Sakaue, Susan Meñez Aspera, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai, Yukio Tamai1, Shigeo Ohnishi, Nobuyoshi Awaya
"Controllability of Electrical Conductivity by Oxygen Vacancies and Charge Carrier Trapping at Interface between CoO and Electrodes"
Japanese Journal of Applied Physics, Vol. 50, 071101(6pages) (2011).
Yuji Kunisada, Hiroshi Nakanishi, Hideaki Kasai
"A First Principles Study of O2/Ag(111) -Adsorption and Magnetic Properties-"
Journal of the Physical Society of Japan, Vol. 80, 084605(7pages) (2011).
Handoko Setyo Kuncoro, Mamoru Sakaue, Hiroshi Nakanishi, Hermawan Kresno Dipojono, Hideaki Kasai
"First-principles Investigation on Ionization Strength, Volume Expansion, and Water Rotational Rigidity of Small Water Cluster Systems Formed around Sodium(I), Calcium(II), and Iron(II) Ions"
Journal of the Physical Society of Japan, Vol. 80, 024601(7pages) (2011).
Mary Clare Escaño, Elod Gyenge, Hiroshi Nakanishi, Hideaki Kasai
"Pt/Cr and Pt/Ni catalysts for oxygen reduction reaction: To alloy or not to alloy?"
Journal of Nanoscience and Nanotechnology, Vol. 11, pp. 2944-2951 (2011)
Triati Dewi Kencana Wungu, Susan Meñez Aspera, Melanie Yadao David, Hermawan Kresno Dipojono, Hiroshi Nakanishi, Hideaki Kasai
"Absorption of Lithium in Montmorillonite: A Density Functional Theory (DFT) Study"
Journal of Nanoscience and Nanotechnology, Vol. 11, pp. 2793-2801 (2011).
Ferensa Oemry, Mary Clare Escaño, Hirofumi Kishi, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai, Hiroyoshi Maekawa, Kazuo Osumi, Yoshihisa Tashiro
"Nitrogen Monoxide Adsorption on Pt4 Clusters Coated on γAl2O3(111) Surface"
Journal of Nanoscience and Nanotechnology, Vol. 11, pp. 2844 (2011).
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2010
Hermawan Kresno Dipojono, Allan Abraham B. Padama, Nobuki Ozawa, Hiroshi Nakanishi, Hideaki Kasai
"A First Principles Study on Dissociation and Adsorption Processes of H2 on Pd3Ag(111) Surface"
Japanese Journal of Applied Physics , Vol. 49, 115702(4pages) (2010)
Emi Minamitani, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Effect of antiferromagnetic RKKY interaction and magnetic field in a two-impurity Kondo system"
Physical Review B, Vol. 82, pp. 153203 (4pages) (2010)
Emi Minamitani, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Scanning tunneling spectroscopic evidence of crossover transition in the two-impurity Kondo problem"
Surface Science, Vol. 604, pp. 2139-2149 (2010)
Mohammad Kemal Agusta, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai
"Hydrazine(N2H4) adsorption on Ni(100)-Density functional theory investigation"
Surface Science, Vol. 604, pp. 245-251 (2010)
Yuji Kunisada, Hirofumi Kishi, Fajarisandi Dimas, Melanie Yadao David, Hiroshi Nakanishi, Hideaki Kasai, Takuma Asari, Shigeo Hayashi
"Adsorption properties of BF4- anions on graphene"
Japanese Journal of Applied Physics , Vol. 49, 02BB04(3pages) (2010)
Yoshiyuki Kubota, Nobuki Ozawa, Hiroshi Nakanishi, Hideaki Kasai
"Quantum States and Diffusion of Lithium Atom Motion on a Graphene"
Journal of the Physical Society of Japan, Vol. 79, 014601 (6 Pages) (2010)
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2009
Mary Clare Sison Escaño, Tien Quang Nguyen, Hiroshi Nakanishi, Hideaki Kasai
"Another way of looking at bonding on bimetallic surfaces: the role of spin-polarization of surface metal d-states"
Journal of Physics: Condensed Matter, Vol. 21, 492201 (6pages) (2009)
Do Ngoc Son, Hiroshi Nakanishi, Melanie Yadao David, Hideaki Kasai
"Oxygen Reduction on Pt(111) Cathode of Fuel Cells"
Journal of the Physical Society of Japan, Vol. 78, 114601(10Pages) (2009)
Handoko Setyo Kuncoro, Rachid Belkada, Melanie David, Eben Sy Dy, Hiroshi Nakanishi, Hermawan Kresno Dipojono, Hideaki Kasai
"A theoretical study on the formation, binding energy and monomer dipole moment of small water cluster systems"
e-Journal of Surface Science and Nanotechnology, Vol. 7, pp. 871-877 (2009)
Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"High-uptake graphene hydrogenation: a computational perspective"
Journal of Physics: Condensed Matter, Vol. 21, 474219 (5Pages) (2009)
Hermawan K. Dipojono, Adhitya G. Saputro, Rachid Belkada, Hiroshi Nakanishi, Hideaki Kasai, Melanie David, Eben Sy DY
"Adsorption of O2 on cobalt-(n)pyrrole molecules from first-principles calculations"
Journal of the Physical Society of Japan, Vol. 78, pp. 094710-094717 (2009)
Tien Quang Nguyen, Susan Menez Aspera, Hiroshi Nakanishi, Hideaki Kasai
"NO adsorption effects on various functional molecular nanowires"
Computational Materials Science, Vol. 47, pp. 111-120 (2009)
Mary Clare Sison Escaño, Hiroshi Nakanishi, Hideaki Kasai
"Spin-polarized density functional theory study of reactivity of diatomic molecule on bimetallic system: the case of O2 dissociative adsorption on Pt monolayer on Fe(001)"
Journal of Physical Chemistry A, Vol. 113, pp. 14302-14307 (2009)
Emi Minamitani, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai
"Spectroscopic profiles of a magnetic dimer on a metal surface"
Solid State Communications, Vol. 149, pp. 1241-1243 (2009)
Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
"Halogen-assisted Copper Atom Abstraction: A Computational Perspective"
Japanese Journal of Applied Physics, Vol. 48, 095501(5 Pages) (2009)
Emi Minamitani, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai
"Effect of RKKY Interaction on the Scanning Tunneling Spectra of a Classic Kondo System -Two Magnetic Atoms Adsorbed on a Metal Surface"
Journal of the Physical Society of Japan, Vol. 78, 084705(5Pages) (2009)
Mary Clare Sison Escaño, Hiroshi Nakanishi, Hideaki Kasai
"The role of ferromagnetic substrate in the reactivity of Pt/Fe overlayer: a density functional theory study "
Journal of the Physical Society of Japan, Vol. 78, 064603(8Pages) (2009)
Emi Minamitani, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai
"Observation of two impurity Kondo effect in Scanning Tunneling Spectroscopy"
Journal of Physics: Conference Series, Vol. 150, 042125(Pages) (2009)
Melanie Yadao David, Koichiro Kasai, Hiroshi Nakanishi, Hideaki Kasai
"Diameter Dependence of the interactions between single-walled carbon nanotubes and Ti(0001) surface"
Journal of Vacuum Science and Technology B, Vol. 27, No. 2, pp. 854-857 (2009)
Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai, Kunihiro Nobuhara, Tsuyoshi Sugimoto, Kyouichi Tange
"Stability of three-hydrogen clusters on graphene"
Journal of the Physical Society of Japan, Vol. 78, No. 3, 35002 (2Pages) (2009)
Joaquin Moreno, Koichiro Kasai, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
"Hydrogen peroxide adsorption on Fe-filled single-walled carbon nanotubes: a theoretical study"
Journal of Physics: Condensed Matter, Vol. 21, No. 6, 64219 (4Pages) (2009)
Abdulla Sarhan, Nelson B Arboleda Jr, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
"STM-induced switching of the hydrogen molecule in naphthalocyanine"
Journal of Physics: Condensed Matter, Vol. 21, No. 6, 64201 (7Pages) (2009)
Melanie David, Rifki Muhida, Tanglaw Roman, Hiroshi Nakanishi, Wilson Diño, Hideaki Kasai, Fumiyoshi Takano, Hisashi Shima, Hiro Akinaga
"First principles calculations-based model for the reactive ion etching of metal oxide surfaces"
VACUUM, Vol. 83, Issue 3, pp. 599-601 (2009)
Tien Quang Nguyen, Mary Clare Sison Escaño, Reiko Tanaka, Hiroshi Nakanishi, Hideaki Kasai
"The adsorption of NO on various metal tape-porphyrins: A first principles study"
Journal of the Physical Society of Japan, Vol. 78, No. 1, 14706 (9Pages) (2009)
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2008
Mary Clare Sison Escaño, Tien Quang Nguyen, Hiroshi Nakanishi, Hideaki Kasai
"Bonding of Pt/Fe overlayer and its effects on atomic oxygen chemisorption from density functional theory study"
Surface Science, Vol. 602, Issue 1, pp. 3415-3423 (2008)
Mary Clare Sison Escaño, Hiroshi Nakanishi, Hideaki Kasai
"Pt monolayer on Fe(001) as an alternative cathode catalyst: a first principles study"
Surface and Interface Analysis, Vol. 40, Issue 6-7, pp. 1085-1087 (2008)
Mohammad Kemal Agusta, Melanie David, Hiroshi Nakanishi, Hideaki Kasai
"SO2 reaction on Cu(100): SO3 structure and formation -Density Functional Theory Investigation-"
Journal of the Physical Society of Japan, Vol. 77, No. 8, 84601 (4Pages) (2008)
Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai
"Coadsorbed H and CO interaction on platinum"
Physical Chemistry Chemical Physics, Vol. 10, pp. 6052-6057 (2008)
Emi Minamitani, Robert Roleda, Wilson Agerico Diño, Tomoya Kishi, Hiroshi Nakanishi, Hideaki Kasai
"Effect of change in number of conduction electrons on the spin configuration in transition metal oxides"
Surface and Interface Analysis, Vol. 40, Issue 6-7, pp. 1078-1081 (2008)
Hirofumi Kishi, Nobuki Ozawa, Melanie Y. David, Tanglaw A. Roman, Nelson B. Arboleda Jr. ， Wilson A. T. Diño，Hiroshi Nakanishi, Hideaki Kasai, Fumiyoshi Takano, Hisashi Shima, Hiro Akinaga
"Density functional theory based evaluations of the reactive ion etching process model for TiO2 (anatase) thin film"
Journal of the Vacuum Society of Japan, Vol. 51, No. 6, pp. 63-66 (2008)
Hirofumi Kishi, Tomoya Kishi, Wilson A. T. Diño, Emi Minamitani, Hiro Akinaga, Hiroshi Nakanishi, Hideaki Kasai
"First Principles Based Investigation of Materials for Resistive RAM"
Journal of Computational and Theoretical Nanoscience, Vol. 5, No. 10, pp. 1976-1979 (2008)
Tien Quang Nguyen, Mary Clare Sison Escaño, Nobuaki Shimoji, Hiroshi Nakanishi, Hideaki Kasai
"Adsorption of diatomic molecules on iron tape-porphyrin: A comparative study"
Physical Review B, Vol. 77, No. 19, 195307(7Pages) (2008)
Tien Quang Nguyen, Mary Clare Sison Escaño, Nobuaki Shimoji, Hiroshi Nakanishi, Hideaki Kasai
"DFT study on the adsorption of NO on iron tape-porphyrin"
Surface and Interface Analysis, Vol. 40, Issue 6, pp. 1082-1084 (2008)
Nobuki Ozawa, Nelson Buntimil Arboleda Jr., Hiroshi Nakanishi, Nobuaki, Shimoji, Hideaki Kasai
"Adsorption and diffusion property of a hydrogen atom on a Pd3Ag(111) surface"
Surface and Interface Analysis, Vol. 40, Issue 6-7, pp. 1108-1112 (2008)
Yoshiyuki Kubota, Mary Clare Sison Escaño, Hiroshi Nakanishi, Hideaki Kasai
"Electronic Structure of LiSi"
Journal of Alloys and Compounds, Vol. 458, Issues 1-2, pp. 151-157 (2008)
Nobuki Ozawa, Nelson Buntimil Arboleda Jr., Hiroshi Nakanishi, Hideaki Kasai
"First principles study of hydrogen atom adsorption and diffusion on Pd3Ag(111) surface and in its subsurface"
Surface Science, Vol. 602, No. 4, pp. 859-863 (2008)
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2007
Nobuki Ozawa, Tanglaw Roman, Nelson Buntimil Arboleda Jr., Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Quantum states of a hydrogen atom motion on the Pd(111) surface and in the subsurface"
Journal of Physics: Condensed Matter, Vol. 19, No. 48, 365214(11Pages) (2007)
Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Kunihiro Nobuhara, Tsuyoshi Sugimoto, Kyouichi Tange
"Identifying hydrogen atoms on graphite"
Journal of the Physical Society of Japan, Vol. 76, No. 11, pp. 114703(4 Pages) (2007).
Mary Clare Sison Escaño, Hiroshi Nakanishi, Hideaki Kasai
"First principles investigation on the atomic structure and stability of Pt monolayer on Fe(001)"
Journal of Physics: Condensed Matter, Vol. 19, No. 48, 482002 (4 Pages) (2007)
Melanie David, Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Naoki Ando, Masanori Naritomi
"Nanoscale understanding of the adhesion of polybutylene terephthalate on aluminum"
Surface Science, Vol. 601, No. 22, pp. 5241-5245 (2007).
Melanie David, Tomoya Kishi, Masanori Kisaku, Hiroshi Nakanishi, Hideaki Kasai
"Magnetic and electronic properties of Fe-filled single-walled carbon nanotubes on metal surfaces"
Surface Science, Volume 601, Issue 18, pp. 4366-4369 (2007).
Melanie David, Rifki Muhida, Tanglaw Roman, Shinichi Kunikata, Wilson A. T. Diño, Hiroshi Nakanishi, Hideaki Kasai, Fumiyoshi Takano, Hisashi Shima, Hiro Akinaga
"Applying computational nanomaterials design to the reactive ion etching of NiO thin films-a preliminary investigation"
Journal of Physics: Condensed Matter, Vol. 19, No. 36, 365210 (7 Pages) (2007).
Mary Clare Sison Escaño, Tomoya Kishi, Shinichi Kunikata, Hiroshi Nakanishi, Hideaki Kasai
"Pt monolayer on Fe(001) cathode catalyst for O2 reduction: a first principles study"
e-Journal of Surface Science and Nanotechnology, Vol. 5, pp. 117-121 (2007).
Nelson B. Arboleda Jr., Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"Potential energy of H2 dissociation and sticking on Pt(111) surface: a first principles calculation"
Japanese Journal of Applied Physics, Vol. 46, No. 7A, pp. 4233-4237 (2007).
Hiroshi Nakanishi, Keita Miyamoto, Melanie David, Eben Sy Dy, Reiko Tanaka, Hideaki Kasai
"CO adsorption effects on the electronic properties of Fe tape-porphyrin"
Journal of Physics: Condensed Matter, Vol. 19, No. 36, 365234 (6 Pages) (2007).
Yoshiyuki Kubota, Mary Clare Sison Escaño, Hiroshi Nakanishi, Hideaki Kasai
"Crystal and electronic Structure of Li15Si4"
Journal of Applied Physics, Vol. 102, No. 5, 53704 (6 Pages) (2007).
Nobuki Ozawa, Tanglaw Roman, Nelson Buntimil Arboleda Jr., Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Potential energy of hydrogen atom motion on Pd(111) surface and in subsurface- A first principles calculation"
Journal of Applied Physics, Vol. 101, No. 12, 123530 (6 Pages) (2007).
Yoshiyuki Kubota, Mary Clare Sison Escaño, Eben Sy Dy, Hiroshi Nakanishi, Hideaki Kasai
"A study on the stability of O2 on oxometalloporphyrins by the first principles calculations"
The Journal of Chemical Physics, Vol. 126, 194303 (7 Pages)(2007).
Emi Minamitani, Melanie David, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai
"Influence of spin configuration on the transport properties of transition metal oxide nanostructures"
Solid State Communications Vol. 142, No. 1,2, pp. 104-109 (2007).
Tomoya Kishi, Melanie David, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Adsorption of Fe and Co Nanowires to (3, 3) Single-Walled Carbon Nanotubes"
Japanese Journal of Applied Physics Vol. 46, No. 4A, 2007, pp. 1788-1791 (2007).
Nobuki Ozawa, Tanglaw Roman, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai
"Quantum states of a hydrogen atom adsorbed on Cu(100) and (110) surfaces"
Physical Review B Vol.75, No.11, 115421 (7 Pages) (2007).
Melanie David, Tomoya Kishi, Masanori Kisaku, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"First principles investigation on Fe-filled single-walled carbon nanotubes on Ni (111) and Cu (111)"
Journal of Magnetism and Magnetic Materials Vol. 310, pp. e748-e750 (2007) .
Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Tsuyoshi Sugimoto, Kyouichi Tange
"Hydrogen pairing on graphene "
Carbon, Vol. 45, Issue 1, pp. 218-220 (2007).
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2006
Yoshiyuki Kubota, Eben Sy Dy, Hiroshi Nakanishi, Hideaki Kasai, Wilson Agerico Diño
"A first principles investigation on the interaction of oxomolybdenum porphyrin with O2 - Oxomolybdenum porphyrin as a catalyst for oxygen reduction -"
e-Journal of Surface Science and Nanotechnology, Vol. 4, pp. 630-635 (2006).
Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Hydrogen atom quantum migration on platinum"
e-Journal of Surface Science and Nanotechnology, Vol. 4, pp. 619-623 (2006).
Nobuki Ozawa, Tanglaw Abat Roman, Hiroshi Nakanishi, Hideaki Kasai
"Quantum states of hydrogen (H, D, T) atoms on Cu(100)"
Surface Science, Vol. 600, No. 18, pp. 3550-3554 (2006).
Melanie David, Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Naoki Ando, Masanori Naritomi
"Polybutylene Terephthalate Adhesion on Metals: A Density Functional Theory Investigation"
Journal of the Vacuum Society of Japan Vol. 49 No. 7, pp. 433-436 (2006).
Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Tsuyoshi Sugimoto, Kyouichi Tange
"Realizing a Carbon-Based Hydrogen Storage Material"
Japanese Journal of Applied Physics, Vol. 45, No. 3A, pp. 1765-1767 (2006).
Melanie David, Tomoya Kishi, Masanori Kisaku, Hiroshi Nakanishi, Hideaki Kasai
"Carbon Nanoarch Encapsulating Fe Nanowire on Ni(111)"
Japanese Journal of Applied Physics, Vol. 45, No. 4A, pp. 2869-2871 (2006).
Rifki Muhida, Melanie David, Md. Mahmudur Rahman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Katsuyuki Fukutani, Tatsuo Okano
"Molecular orientation dependence of ortho-para H conversion on Fe(OH) cluster induced by hyperfine contact interaction"
The European Physical Journal D, Vol. 38, No. 1, pp. 99-101 (2006).
Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Amino acid adsorption on single-walled carbon nanotubes"
The European Physical Journal D, Vol. 38, No. 1, pp. 117-120 (2006).
Muneyuki Tsuda, Wilson Agerico Diño, Hideaki Kasai, Hiroshi Nakanishi, Hiroshi Aikawa
"Mg-H dissociation of magnesium hydride MgH2 catalyzed by 3d transition metals"
Thin Solid Films, Volume 509, No. 1-2, pp. 157-159 (2006).
Melanie David, Tanglaw Roman, Hiroshi Nakanishi, Hideaki Kasai, Naoki Ando, Masanori Naritomi
"A Density Functional Theory-Based Investigation of Adhesion of Polybutylene Terephthalate on Aluminum"
Thin Solid Films, Volume 509, No. 1-2, pp. 215-217 (2006).
Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Glycine adsorption on single-walled carbon nanotubes"
Thin Solid Films, Volume 509, No. 1-2, pp. 218-222 (2006).
Rifki Muhida, Henry Setiyanto, Md. Mahmudur Rahman, Wilson Agerica Diño, Hiroshi Nakanishi, Hideaki Kasai, Katsuyuki Fukutani, Tatsuo Okano
"Ortho-para H2 conversion on multiple-decked sandwich clusters of M(C6H6)2 (M = Mn, Fe, Co) induced by an inhomogeneity of spin density distribution"
Thin Solid Films, Volume 509, No. 1-2, pp. 223-226 (2006).
Nelson B. Arboleda Jr., Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"Quantum dynamics study on the interaction of H2 on a Pt(111) surface"
Thin Solid Films, Volume 509, No. 1-2, pp. 227-229 (2006).
Melanie David, Tanglaw Roman, Wilson A. Diño, Hiroshi, Nakanishi, Hideaki Kasai, Naoki Ando, Masanori Naritomi
"Polybutylene Terephthalate on Metals: A Density Functional Theory and Cluster Models Investigation"
Journal of Physics: Condensed Matter, Vol. 18, No. 4, pp. 1137-1142 (2006).
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2005
Muneyuki Tsuda, Wilson Agerico Diño, Hideaki Kasai, Hiroshi Nakanishi
"Magnetized/charged MgH2-based hydrogen storage materials"
Applied Physics Letters, Vol. 86, No. 21, 213109 (3 Pages) (2005).
Nelson B. Arboleda Jr., Kunihiro Nobuhara, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"First Principles Studies for the Interaction of Hydrogen with a Li(100) Surface"
Journal of the Physical Society of Japan, Vol. 74, No. 1, pp. 478-482 (2005).
Md. Mahmudur Rahman, Masanori Kisaku, Tomoya Kishi, Tanglaw Abat Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Electric and magnetic properties of Co-filled carbon nanotube"
Journal of the Physical Society of Japan, Vol. 74, No. 2, pp. 742-745 (2005).
Tomoya Kishi, Melanie David, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Fumio Komori
"Ground state magnetic properties of Fe nanoislands on Cu (111)"
Journal of the Physical Society of Japan, Vol. 74, No. 11, pp. 3057-3059 (2005).
Satoshi Yotsuhashi, Yuka Yamada, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Dependence of oxygen dissociative adsorption on platinum surface structures"
Physical Review B, Vol. 72, 033415 (4 Pages) (2005).
Melanie David, Tomoya Kishi, Masanori Kisaku, Hiroshi Nakanishi, Hideaki Kasai
"Stable Structure and Electronic Properties of Carbon Nanoarch Encapsulating Fe Nanowire on Ni(111)"
e-Journal of Surface Science and Nanotechnology, Vol. 3, pp. 266-269 (2005).
Tomoya Kishi, Hideaki Kasai, Hiroshi Nakanishi, Melanie David, Wilson Agerico Diño, Fumio Komori
"Transport properties via surface localized states of Ru, Rh and Pd thin films on Ag(111)"
Solid State Communications, Vol. 135, No. 11-12, pp. 698-702 (2005).
Muneyuki Tsuda, Wilson Agerico Diño, Hiroshi Nakanishi, Susumu Watanabe, Hideaki Kasai
"First Principles Interpretation of Cyclohexane Dehydrogenation Process Using Pt"
Japanese Journal of Applied Physics, Vol. 44, No. 1A, pp. 402-405 (2005).
Nelson B. Arboleda Jr., Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"Site-Dependent Vibrationally Assisted Sticking Effect on H2-Si(001) 2 x 2 Surface Interactions"
Japanese Journal of Applied Physics, Vol. 44, No. 2, pp. 797-801 (2005).
Masanori Kisaku, Md. Mahmudur Rahman, Tomoya Kishi, Daisuke Matsunaka, Tanglaw Abat Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Diameter Dependent Magnetic and Electronic Properties of Single-Walled Carbon Nanotubes with Fe Nanowires"
Japanese Journal of Applied Physics, Vol. 44, No. 2, pp. 882-888 (2005).
Susumu Watanabe, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Hiroyuki Akinaga
"Reactive Ion Etching of NiFe Thin Films from First-Principles Study: A Case Study"
Japanese Journal of Applied Physics, Vol. 44, No. 2, pp. 893-894 (2005).
Muneyuki Tsuda, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Orientation dependence of O2 dissociation from heme-O2 adduct"
Chemical Physics Letters, Vol. 402, No. 1-3, pp. 71-74 (2005).
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2004
Michio Okada, Kousuke Moritani, Akitaka Yoshigoe, Yuden Teraoka, Hiroshi Nakanishi, Wilson Agerico Diño, Hideaki Kasai, Toshio Kasai
"Tuning of dissociative-adsorption processes on Cu{100} by controlling the kinetic energy of the impinging O2 molecule"
Chemical Physics Vol. 301, pp.315-320 (2004).
Muneyuki Tsuda, Wilson Agerico Diño, Susumu Watanabe, Hiroshi Nakanishi, Hideaki Kasai
"Cyclohexane dehydrogenation catalyst design based on spin polarization effects"
Journal of Physics: Condensed Matter, Vol. 16, No. 48, pp. S5721-S5724 (2004).
Rifki Muhida, Wilson Agerico Diño, Md. Mahmudur Rahman, Muneyuki Tsuda, Tanglaw Abat Roman, Hideaki Kasai, Hiroshi Nakanishi.
"Change of magnetic properties of benzenes in multiple-decked sandwich clusters: M(C6H6)2 (M = Mn, Fe, Co)"
Journal of Physics: Condensed Matter, Vol. 16, No. 48, pp. S5749-S5753 (2004).
Md. Mahmudur Rahman, Masanori Kisaku, Tomoya Kishi, Daisuke Matsunaka, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Ab initio study of magnetic and electronic properties of Fe-filled single-Walled carbon nanotubes"
Journal of Physics: Condensed Matter Vol. 16, No. 48, pp. S5755-5758 (2004).
Tomoya Kishi, Kenji Suzuki, Daisuke Matsunaka, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"The effect hydrogen adsorption on the magnetic properties of Fe adatom on Si(001)"
Journal of Physics: Condensed Matter Vol. 16, No. 48, pp. S5763-5767 (2004)
Daisuke Matsunaka, Md. Mahmudur Rahman, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"Suppression of carrier spin polarization in diluted ferromagnetic semiconductors"
Journal of Physics: Condensed Matter, Vol. 16, No. 48, pp. S5787-S5790 (2004).
Tomoya Kishi, Hideaki Kasai, Hiroshi Nakanishi, Wilson Agerico Diño, Fumio Komori
"First principles based study of transport properties of Fe thin film on Cu(111)"
Journal of Physics: Condensed Matter Vol. 16, No. 48, pp. S5791-5795 (2004).
Tanglaw Roman, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Yoshihito Miyako, and Masanori Naritomi
"PPS-metal adhesion: a density functional theory-based study"
Solid State Communications, Vol. 132, No. 6, pp. 405-408 (2004).
Wilson Agerico Diño, Yoshio Miura, Hiroshi Nakanishi, Hideaki Kasai, Tsuyoshi Sugimoto and Takuya Kondo
"H2 dissociative adsorption at the armchair edges of graphite"
Solid State Communications, Vol. 132, No. 10, pp. 713-718 (2004).
Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai, Tsuyoshi Sugimoto, Takuya Kondo
"H2 Dissociative Adsorption at the Zigzag Edges of Graphite"
e-Journal of Surface Science and Nanotechnology Vol. 2, pp.77-80 (2004).
Muneyuki Tsuda, Wilson Agerico Diño, Susumu Watanabe, Hiroshi Nakanishi, Hideaki Kasai
"Cyclohexane Dehydrogenation Process Design Using Ni -Spin Polarization Effects-"
e-Journal of Surface Science and Nanotechnology Vol. 2, pp.200-204 (2004).
Muneyuki Tsuda, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Hemoglobin Components as Cathode Electrode Catalyst in Polymer Electrolyte Fuel Cells"
e-Journal of Surface Science and Nanotechnology Vol. 2, pp.226-229 (2004).
Kunihiro Nobuhara, Hideaki Kasai, Hiroshi Nakanishi, Wilson Agerico Diño
"Vibrational properties of hydrogen atom adsorbed on Cu(111) and on Ir(111) surfaces"
Journal of Applied Physics Vol. 96, No. 9, pp. 5020-5025 (2004).
Nelson B. Arboleda Jr., Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi, and Tsuyoshi Sugimoto
"Scattering and Dissociative Adsorption of H2 on the Armchair and Zigzag Edges of Graphite"
Journal of Applied Physics Vol. 96, No. 11, pp. 6331-6336 (2004).
Daisuke Matsunaka, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"Impurity induced Tc reduction in high-temperature superconductors"
Physical Review B, Vol. 70, No. 17, 174505 (5 Pages) (2004).
Nelson B. Arboleda Jr., Hideaki Kasai, Kunihiro Nobuhara, Wilson Agerico Diño, Hiroshi Nakanishi
"Dissociation and Sticking of H2 on Mg(0001), Ti(0001) and La(0001) Surfaces"
Journal of the Physical Society of Japan, Vol. 73, No. 3, pp. 745-748 (2004).
Muneyuki Tsuda, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Ab Initio Study of Cyclohexane Dehydrogenation with a Transition Metal (Pt, Pd, Ni and Cu) Atom"
Journal of the Physical Society of Japan, Vol. 73, No. 5, pp. 1281-1284 (2004).
Rifki Muhida, Wilson Agerico Diño, Md. Mahmudur Rahman, Hideaki Kasai, Hiroshi Nakanishi.
"Spin polarization of multiple-decked sandwich clusters: M(C6H6)2 (M = Mn, Fe, Co)"
Journal of the Physical Society of Japan 73, No. 8, pp. 2292-2297 (2004).
Muneyuki Tsuda, Wilson Agerico Diño, Hiroshi Nakanishi, Hideaki Kasai
"Ab Initio Study of H2 Desorption from Magnesium Hydride MgH2 Cluster"
Journal of the Physical Society of Japan Vol. 73, No. 10, pp. 2628-2630 (2004).
Daisuke Matsunaka, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"Dynamical Cluster Approximation in Disordered Systems with Magnetic Impurities"
Journal of the Physical Society of Japan, Vol. 73, No. 12, pp. 3448-3452 (2004).
Kunihiro Nobuhara, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"H2 dissociative adsorption on Mg, Ti, Ni, Pd and La Surfaces"
Surface Science Vol. 566-568, No. 2, pp. 703-707 (2004).
Tomoya Kishi, Hideaki Kasai, Hiroshi Nakanishi, Wilson Agerico Diño, Fumio Komori
"Electronic Structure of Fe, Co, Ni nanowires on Cu(111) "
Surface Science Vol. 566-568, No. 2, pp. 1052-1056 (2004).
Hiroshi Nakanishi, Hideaki Kasai, Tomoya Kishi, Wilson Agerico Diño, Fumio Komori, Ayao Okiji
"Magnetic and transport properties of FeβV1-βatom bridge constructed between an STM tip and a solid surface"
Journal of Magnetism and Magnetic Materials Vol. 272-276, No. 3, pp. E1411-E1412 (2004).
Daisuke Matsunaka, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"Influence of nonmagnetic impurities on spin correlations in high-Tc superconductor"
]Journal of Magnetism and Magnetic Materials, Vol. 272-276, pp. E169-E170 (2004).
Tomoya Kishi, Hideaki Kasai, Hiroshi Nakanishi, Wilson Agerico Diño, Fumio Komori
"Spin-dependent transport through Fe nanowires on Cu surface"
Journal of Magnetism and Magnetic Materials Vol. 272-276, No. 3, pp. 1650-1651 (2004).
Wilson Agerico Diño, Rifki Muhida, Nelson Arboleda, Hiroshi Nakanishi, Hideaki Kasai
"Inducing spin polarization in carbon materials by introducing magnetic adsorbates- Fe2 on a planar C10"
Journal of Magnetism and Magnetic Materials Vol. 272-276, No. 3, pp. 1602-1603 (2004).
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2003
Yoshio Miura, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi,Tsuyoshi Sugimoto
"Effective Pathway for Hydrogen Atom Adsorption on Graphene"
Journal of the Physical Society of Japan Vol. 72, No. 5, pp. 995-997 (2003).
Wilson Agerico Diño, Yoshio Miura, Hiroshi Nakanishi, Hideaki Kasai, Tsuyoshi Sugimoto
"Stable Hydrogen Configurations between Graphite Layers"
Journal of the Physical Society of Japan, Vol. 72, No. 8, pp. 1867-1870 (2003).
Wilson Agerico Diño, Rifki Muhida, Hiroshi Nakanishi, Hideaki Kasai
"Magnetic-Adsorbate-Induced Spin Polarization in Carbon Materials -Two Fe Atoms on Planar C10 and C10H8-"
Journal of the Physical Society of Japan, Vol. 72, No. 10, pp. 2413-2416 (2003).
Rifki Muhida, Yoshio Miura, Wilson Agerico Diño, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji, Katsuyuki Fukutani, Tatsuo Okano
"Molecular orientation dependence of ortho-para conversion of a H2 interacting with metal surfaces"
Journal of Applied Physics, Vol. 93, No. 1, pp. 644-648 (2003).
Yoshio Miura, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi, Tsuyoshi Sugimoto
"First principles studies for the dissociative adsorption of H2 on graphene"
Journal Applied Physics, Vol. 93, No. 6, pp. 3395-3400 (2003).
Yuki Shimada, Hideaki Kasai, Hiroshi Nakanishi, Wilson Agerico Diño, Ayao Okiji, Yukio Hasegawa
"Spatial and temperature dependence of the spectroscopic profile of a magnetic atom adsorbed on a metal surface -Co/Cu(111)"
Journal of Applied Physics, Vol. 94, No. 1, pp. 334-341 (2003).
Daisuke Matsunaka, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi
"Magnetic properties in the high-temperature cuprate superconductors with nonmagnetic impurities"
Physical Review B, Vol. 68, No. 5, pp. 054503 (2003).
Yoshio Miura, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi, Tsuyoshi Sugimoto
"First Principles Studies on the Interaction of a Hydrogen Atom with a Single-Walled Carbon Nanotube"
Japanese Journal of Applied Physics Vol. 42, No. 7B, pp. 4626-4629 (2003).
Kunihiro Nobuhara, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi, Ayao Okiji
"H/Pd(111) Absorption and Desorption Dynamics -Hydrogen-Induced Lattice Relaxation Effects-"
Japanese Journal of Applied Physics Vol. 42, No. 7B, pp. 4630-4632 (2003).
Tomoya Kishi, Hiroshi Nakanishi, Hideaki Kasai, Wilson Agerico Diño, Fumio Komori
"Stable Structures of Fe Nanowires on Cu(111)"
Japanese Journal of Applied Physics Vol. 42, No. 7B, pp. 4633-4635 (2003).
Daisuke Matsunaka, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Effects of impurities on the magnetic property in copper oxides"
Physica B, Vol. 329-333, No. 2, pp. 769-770 (2003).
Hiroshi Nakanishi, Hideaki Kasai, Tomoya Kishi, Fumio Komori and Ayao Okiji
"Transport and Magnetic Properties of Magnetic Alloy Atom Bridge"
Physica E, Vol. 18, No. 1-3, pp. 251-252 (2003).
Hiroshi Nakanishi, Hideaki Kasai, Tomoya Kishi, Fumio Komori, Ayao Okiji
"Transport properties of magnetic atom bridges controlled by a scanning tunneling microscope"
Applied Surface Science, Vol. 212-213, pp. 829-832 (2003).
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2002
Daisuke Matsunaka, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Effects of Oxygen Vacancies on the Electronic States in Copper Oxides"
Journal of the Physical Society of Japan, Vol. 71, No. 9, pp. 2247-2252 (2002).
Tomoya Kishi, Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji
"Magnetic Properties of Fe thin films on Cu(111)"
Journal of the Physical Society of Japan Vol. 71, No. 12, pp. 2983-2985 (2002).
Kunihiro Nobuhara, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Coverage dependence of hydrogen absorption into Pd(111)"
Journal of Applied Physics Vol. 92, No. 10, pp. 5704-5706 (2002) .
Kunihiro Nobuhara, Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji
"Quantum mechanical behavior of an H atom on Cu(111) and Pt(111)"
Journal of Applied Physics Vol. 91, No. 4, pp. 1855-1859 (2002) .
Yuki Shimada, Hideaki Kasai, Hiroshi Nakanishi, Wilson Agerico Diño, Ayao Okiji, Yukio Hasegawa
"The theoretical analysis of quantum mirages on a Cu(111) surface"
Surface Science, Vol. 514, No. 1-3, pp. 89-94 (2002).
Taro Shirai, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi, Ayao Okiji
"Interacting electrons in one-dimensional confinements"
Surface Science, Vol. 514, No. 1-3, pp. 95-99 (2002) .
Daisuke Matsunaka, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"The effects of nonmagnetic impurity atoms on the electronic states of CuO2 plane"
Surface Science, Vol. 514, No. 1-3, pp. 123-129 (2002).
Hideaki Kasai, Hiroshi Nakanishi, Tomoya Kishi, Fumio Komori, Ayao Okiji
"Magnetic properties of Fe-Ni alloy atom bridges"
Surface Science, Vol. 514, No. 1-3, pp. 156-160 (2002).
Hiroshi Nakanishi, Hideaki Kasai, Tomoya Kishi, Fumio Komori, Ayao Okiji
"STM-tip induced magnetic state change of Fe-atom bridge"
Surface Science, Vol. 514, No. 1-3, pp. 161-166 (2002).
Rifki Muhida, Wilson Agerico Diño, Atsushi Fukui, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji, Katsuyuki Fukutani, Tatsuo Okano,
"Steric effect on o-p conversion of H2 interacting with a 3d impurity sitting on a metal oxide surface"
Surface Science, Vol. 514, No. 1-3, pp. 273-282 (2002) .
Kunihiro Nobuhara, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Vibrational properties of an H atom adsorbed on Pt(111)"
Surface Science, Vol. 507-510, pp. 82-86 (2002).
to TOP
2001
Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji
“Effects of the intra-site Coulomb interaction on electron transport in an atom bridge”
Applied Surface Science, Vol. 169–170, pp. 73-77 (2001).
Rifki Muhida, Wilson Agerico Diño, Atsushi Fukui, Yoshio Miura, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji, Katsuo Fukutani, Tatsuo Okano.
"Molecular orientation dependence of o-p conversion of H2 scattered from a 3d impurity sitting on a metal oxide surface"
Journal of the Physical Society of Japan Vol. 70, No. 12, pp. 3654-3659 (2001).
Atsushi Fukui, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Lifetime of Shockley States on Metal Surfaces"
Journal of the Physical Society of Japan, Vol. 70, No. 1, pp. 29-32 (2001).
Kunihiro Nobuhara, Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji,
"Behavior of H atom in adsorption states on metal surfaces-localization and Delocalization-"
Surface Science, Vol. 493, No. 1-3, pp. 271-277 (2001) .
Rifki Muhida, Wilson Agerico. Diño, Atsushi Fukui, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji, Katsuyuki Fukutani, Tatsuo Okano.
"Molecular orientation dependence of o-p H2 conversion on a 3d impurity sitting on a metal oxide surface"
Surface Science, Vol. 493, No. 1-3, pp. 285-291 (2001).
Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji,
"Atom bridge made from magnetic materials -Atomic Configuration and Magnetic Properties-"
Surface Science Vol. 493, No. 1-3, pp.757-762 (2001) .
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2000
Keishi Tsujimoto, Hideaki Kasai, Wilson Agerico Diño, Hiroshi Nakanishi, Ayao Okiji
"Some Solutions for a System of Interacting Electrons Confined in One-dimension"
Physics Letter A, Vol. 277, No. 2, pp. 123-128 (2000).
Atsushi Fukui, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Orientation dependence in the dissociative scattering of hydrogen molecules from metal surfaces: Interference of electron waves in the scattering process"
Physical Review B, Vol. 61, No. 20, pp. 14136-14145 (2000)
Yuji Morigaki, Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji
"Quantized conductance in an atom-size bridge made from magnetic materials"
Journal of Applied Physics, Vol. 88, No. 5, pp. 2682-2686 (2000).
Kunihiro Nobuhara, Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji
"Interactions of Atomic Hydrogen with Cu(111), Pt(111) and Pd(111)"
Journal of Applied Physics, Vol. 88, No. 11, pp. 6897-6901 (2000).
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1999
Yosuke Kawahito, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Quantum Transport in an atom-sized bridge between a metal surface and a tip of a scanning tunneling microscope at finite temperatures"
Journal of Applied Physics, Vol. 85, No. 2, pp. 947-952 (1999).
Atsushi Fukui, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Electron correlation effects in the dissociative scattering of hydrogen molecules from metal surfaces"
Surface Science, Vol.438, pp.271-282 (1999).
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1998
Yosuke Kawahito, Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Effects of intra-site Coulomb interaction on quantized conductance in a quantum wire between an STM-tip and a metal surface"
Surface Science, Vol. 409, No. 2, pp. L709-L714 (1998).
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1997
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1996
Ayao Okiji, Hideaki Kasai, Hiroshi Nakanishi
The Effects of Electronic Excitations on the Behaviour of Particles Scattered by Metal Surfaces
Springer Series in Solid State Sciences Vol.121 pp.138-146 (1996).
Hiroshi Nakanishi, Hidetaka Ohnishi, Ayao Okiji
"Inelastic scattering from the translational vibration mode of molecules adsorbed on solid surfaces"
Surface Science, Vol. 363, pp. 391-396 (1996).
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1995
Ayao Okiji, Hiroshi Nakanishi
"The effects of the interfacial structures on magnetoresistance in metallic superlattices"
Materials Science and Engineering: B, Vol.31, pp.163-168(1995).
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1994
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1993
Hiroshi Nakanishi, Ayao Okiji, Hideaki Kasai
"Model Calculations for Giant Magnetoresistance in Metallic Superlattices"
Japanese Journal of Applied Physics, Vol. 32, No. 3B, pp. L447-L449 (1993).
Hiroshi Nakanishi, Takaaki Tamura, Hideaki Kasai, Ayao Okiji
"Exchange interactions between ferromagnetic layers separated by nonmagnetic spacer layers"
Journal of Magnetism and Magnetism Materials, Vol. 126, No. 1-3, pp. 394-396 (1993).
Hiroshi Nakanishi, Ayao Okiji, Hideaki Kasai
"Interfacial Roughness and Giant Magnetoresistance in Metallic Superlattices"
Journal of Magnetism and Magnetic Materials, Vol. 126, No. 1-3, pp. 451-453 (1993).
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1992
Ayao Okiji, Hiroshi Nakanishi, Ken Sakata, Hideaki Kasai
"Magnetoresistance of Metallic Multilayers"
Japanese Journal of Applied Physics, Vol. 31, No. 6A, pp. L706-L709 (1992).
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1991
Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji
"Electron Correlation Effects on Charge Transfer and Energy Dissipation in Atom or Ion Scattering from Metal Surfaces"
Surface Science, Vol. 242, No. 1-3, pp. 410-416 (1991).
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1990
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1989
Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji
"Final energy distributions of the electronic system in atom or ion scattering from metal surfaces"
Surface Science, Vol. 216, No. 1-2, pp. 249-262 (1989).
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1988
Hiroshi Nakanishi, Hideaki Kasai, Ayao Okiji
"Charge Exchange Scattering of Particles from Metal Surfaces"
Surface Science Vol. 197, No. 3, pp. 515-527 (1988).
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1987
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1986
Hideaki Kasai, Hiroshi Nakanishi, Ayao Okiji
"Ionization Probability of Atoms Sputtered from Metal Surfaces"
Journal of the Physical Society of Japan, Vol. 55, No. 9, pp. 3210-3217 (1986).
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